#DEFINITION	Reference Metabolome for Hemerocallis fulva
#IDENTTFIER	RefMeta-Hemerocallis fulva.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Hemerocallis fulva
#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 Hemerocallis fulva 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	829.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00457	0.8
59.01249	16.2
69.03310	0.8
71.01250	15.0
72.99178	1.4
73.02812	3.2
75.00755	0.5
81.03345	0.7
83.01249	3.6
83.04912	0.3
85.02822	4.3
87.00746	4.4
89.02313	12.4
91.03902	0.5
95.01248	1.4
97.02826	2.3
99.00752	1.2
100.02862	0.3
101.02319	12.9
103.03873	0.3
109.02758	0.3
111.00742	0.4
111.04406	0.6
113.02320	7.5
115.03823	0.4
119.03387	3.4
123.04414	0.3
124.01609	0.4
125.02332	6.8
125.09616	0.9
127.03896	0.4
127.11169	2.4
131.03357	0.8
133.04958	0.6
137.02370	0.3
139.03926	0.5
143.03398	3.1
144.33566	0.3
145.04942	0.2
149.04404	0.3
153.09050	0.5
161.04462	4.7
167.03383	0.6
169.04944	0.4
171.10172	100.0
172.10524	3.0
179.05540	2.7
182.09419	0.3
185.11777	0.3
199.06042	0.5
203.05472	0.3
217.07076	1.3
221.06563	0.8
229.43459	0.3
233.44186	0.3
235.08165	5.9
245.06567	0.4
253.09264	2.3
259.20731	0.3
263.07843	0.5
277.21701	66.7
278.22034	4.4
287.07629	1.4
291.23215	0.4
305.08713	1.5
319.22839	0.4
323.09732	0.9
328.90506	0.3
379.12469	8.0
395.14111	0.3
397.13483	36.7
398.13876	2.2
415.14529	7.7
416.14932	0.5
431.49518	0.3
551.23297	0.8
569.24475	1.2
579.58282	0.3
657.35236	0.3
675.35687	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	2.5
58.32041	1.0
59.01249	100.0
60.01560	1.2
67.01755	1.0
68.69434	1.1
69.03334	2.0
71.01251	57.5
71.42928	1.1
71.58314	1.6
72.99181	5.1
73.02814	27.0
75.00756	1.3
83.01251	10.1
84.41831	1.0
85.02818	17.7
87.00728	3.8
89.02314	22.3
93.03308	1.9
95.01253	6.0
96.74566	1.2
96.95898	9.0
97.02819	1.6
99.00745	2.5
101.02319	31.9
102.02648	1.2
102.86728	1.1
109.02789	1.5
113.02328	33.9
119.03371	8.0
119.04910	1.5
121.02880	1.3
123.04360	2.5
125.02325	4.4
131.03400	3.5
134.03638	2.3
135.04401	3.0
137.02365	2.0
143.03394	4.5
147.04408	1.2
149.02371	1.2
149.04454	4.4
150.03178	1.2
152.00983	1.7
161.02438	1.2
161.04454	9.2
162.20085	0.9
165.01735	1.2
167.03378	2.6
173.04428	2.4
175.03793	1.4
177.01741	1.3
179.05563	4.9
191.03592	1.2
191.05553	4.1
191.73413	1.2
221.06445	1.3
248.61026	1.1
249.03693	1.3
277.04456	1.0
377.16672	2.1
395.17108	5.5
459.23965	3.4
477.24808	5.5
519.25708	2.3
537.26727	3.7
603.28516	1.3
621.29095	7.4
622.28955	2.0
639.30115	25.3
640.30359	2.5
657.31439	10.9
678.59937	1.2
681.30994	4.6
681.96210	1.2
699.32269	8.3
700.33148	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	829.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	2.5
58.32041	1.0
59.01249	100.0
60.01560	1.2
67.01755	1.0
68.69434	1.1
69.03334	2.0
71.01251	57.5
71.42928	1.1
71.58314	1.6
72.99181	5.1
73.02814	27.0
75.00756	1.3
83.01251	10.1
84.41831	1.0
85.02818	17.7
87.00728	3.8
89.02314	22.3
93.03308	1.9
95.01253	6.0
96.74566	1.2
96.95898	9.0
97.02819	1.6
99.00745	2.5
101.02319	31.9
102.02648	1.2
102.86728	1.1
109.02789	1.5
113.02328	33.9
119.03371	8.0
119.04910	1.5
121.02880	1.3
123.04360	2.5
125.02325	4.4
131.03400	3.5
134.03638	2.3
135.04401	3.0
137.02365	2.0
143.03394	4.5
147.04408	1.2
149.02371	1.2
149.04454	4.4
150.03178	1.2
152.00983	1.7
161.02438	1.2
161.04454	9.2
162.20085	0.9
165.01735	1.2
167.03378	2.6
173.04428	2.4
175.03793	1.4
177.01741	1.3
179.05563	4.9
191.03592	1.2
191.05553	4.1
191.73413	1.2
221.06445	1.3
248.61026	1.1
249.03693	1.3
277.04456	1.0
377.16672	2.1
395.17108	5.5
459.23965	3.4
477.24808	5.5
519.25708	2.3
537.26727	3.7
603.28516	1.3
621.29095	7.4
622.28955	2.0
639.30115	25.3
640.30359	2.5
657.31439	10.9
678.59937	1.2
681.30994	4.6
681.96210	1.2
699.32269	8.3
700.33148	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.8
69.03327	0.5
71.01254	7.8
71.01658	0.4
71.58420	0.3
73.02822	4.1
85.02818	0.4
87.00746	2.2
89.02313	35.3
90.02677	0.2
101.02333	0.4
103.03876	2.6
121.02813	0.9
125.73730	0.2
131.02444	0.5
131.03392	7.3
147.02863	0.3
149.04456	100.0
150.04776	1.9
165.04111	0.2
209.11816	0.3
237.28714	0.2
239.13113	0.2
273.57831	0.2
289.32486	0.3
397.53311	0.3
581.75739	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	33.3
64.58129	0.4
64.91339	0.5
68.73174	0.4
69.53555	0.6
69.53956	2.7
71.01245	3.3
73.02826	1.3
85.02831	1.2
89.02311	2.2
89.03855	0.5
91.05416	0.7
93.03327	0.8
101.02299	2.5
113.02321	1.2
116.92751	1.1
117.03313	1.1
119.04906	0.7
121.02847	8.4
131.03360	0.5
132.02077	1.4
135.04398	0.8
147.04416	4.2
149.02342	62.3
149.04422	4.9
150.02708	1.7
152.01071	0.6
161.04497	0.8
163.03952	0.7
164.04691	52.7
165.05083	1.8
173.04491	0.8
179.07033	4.1
188.70303	0.5
189.12714	0.9
191.05502	1.3
193.01399	0.5
195.06520	0.6
208.03719	1.7
223.06061	100.0
224.06380	4.9
244.14218	0.4
269.10443	0.6
273.60901	0.4
355.10300	13.7
355.14725	0.6
356.10660	1.2
387.20178	1.3
403.79324	0.4
429.21332	1.2
449.14758	0.5
567.48407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00454	0.5
59.00946	0.5
59.01245	7.4
68.99697	0.4
69.03328	1.5
69.94337	0.6
69.94753	1.1
71.01252	7.8
71.04881	0.4
72.99190	0.7
73.02822	1.9
78.95794	0.3
79.14814	0.3
83.01257	1.6
83.04881	0.6
84.02042	0.9
85.02823	11.1
85.06461	0.5
87.00744	2.1
87.04396	0.5
89.02317	4.3
91.03871	0.5
95.01274	0.5
96.95889	4.7
97.02806	1.7
97.06454	1.9
99.00758	0.7
101.01690	0.4
101.02324	6.6
111.04407	0.5
113.02327	3.9
115.03916	0.3
119.03423	1.5
123.08049	0.4
125.02347	0.4
125.05985	0.8
126.78072	0.3
127.11167	0.9
133.04956	1.0
137.09601	1.2
143.03424	0.6
145.04964	1.7
155.10690	0.5
157.04953	0.6
161.04465	3.3
171.10178	13.6
179.05568	0.6
181.12163	0.3
183.13826	12.3
184.14156	0.6
193.12096	0.3
195.13783	0.7
201.11336	0.6
211.13324	6.2
221.11823	0.7
223.16908	1.4
229.14323	2.0
233.15466	1.0
235.08186	16.8
236.08571	0.6
239.12920	0.3
239.16339	0.4
251.16508	4.1
253.09264	24.7
254.09637	0.9
269.17538	1.5
275.20285	0.5
277.21716	100.0
278.22037	6.9
291.19724	4.7
309.20700	13.4
309.24286	0.7
310.21106	0.8
327.21753	74.7
328.22122	5.3
351.21729	0.4
513.30457	0.8
545.29590	2.4
563.30811	1.7
587.43073	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	825.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	2.4
59.01252	21.3
68.44684	0.6
68.99690	0.7
69.03319	1.8
70.37744	0.6
70.98537	1.1
71.01253	37.2
71.04880	1.0
72.01598	0.6
72.02032	0.6
72.99167	2.2
73.02819	7.4
75.00749	3.9
80.32775	0.5
83.01273	21.8
84.01590	0.8
84.02032	2.5
85.02820	6.6
85.99944	0.9
87.00743	5.6
89.02318	1.0
95.01258	1.2
96.95894	0.7
97.02602	1.7
99.00755	15.3
101.02322	20.0
101.03001	1.0
102.02655	0.7
111.00539	3.1
112.01546	22.1
113.02339	7.3
113.99268	0.8
123.00536	5.6
125.02129	2.0
127.00264	3.2
135.00563	0.6
139.00087	1.0
140.00786	4.4
141.00490	1.0
141.01591	17.1
141.98723	2.7
142.99449	0.8
143.03372	1.4
151.00037	15.9
152.00752	1.4
153.01588	4.8
153.12750	3.4
161.04453	0.8
165.12776	0.9
166.99522	16.0
167.03116	1.4
168.00099	0.7
181.01097	1.0
183.02669	66.6
184.02982	2.1
185.00586	1.1
185.03239	0.6
193.12038	19.8
195.13843	4.7
201.03709	4.3
207.10022	3.1
209.08159	1.1
215.23907	0.9
225.03802	1.0
227.01646	8.8
235.13116	8.2
237.11008	11.7
238.11395	1.1
245.02687	1.4
247.13081	2.2
248.10843	0.6
259.13123	2.7
277.14169	11.8
278.14633	0.7
280.07190	0.6
297.17105	7.0
305.13568	0.7
337.16302	31.8
338.16656	1.9
349.16382	1.2
355.17346	32.3
356.17569	2.2
379.17380	22.4
380.17426	1.5
381.15277	33.6
382.15671	3.2
397.18411	100.0
398.18829	6.7
399.16321	37.5
399.24249	0.7
400.16614	2.3
405.13156	1.1
423.16516	6.9
425.14142	0.9
435.14868	0.7
439.18365	0.7
441.17368	3.4
599.11682	0.7
640.31409	0.8
653.34753	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00449	0.4
59.01250	26.1
66.80943	0.2
69.03325	1.3
69.26915	3.0
71.01252	17.1
72.99170	1.1
73.02815	6.3
75.00741	0.5
81.03322	0.6
83.01257	3.0
83.04887	0.6
85.02819	8.3
87.00747	1.8
89.02309	4.8
93.03285	0.5
95.01261	2.0
96.95879	3.1
96.96815	0.3
97.02818	0.8
99.00750	2.6
99.04366	1.5
101.02316	10.8
111.00761	0.3
113.02332	6.8
116.25559	0.3
119.03394	1.6
120.05286	0.2
123.04419	0.3
125.02335	1.2
129.01813	0.8
131.03477	0.4
133.02838	0.4
135.04399	0.4
137.02316	0.3
143.03444	1.4
149.04378	0.4
159.02914	0.6
161.02321	0.5
161.04466	2.4
166.02563	0.4
173.04471	0.7
175.03894	0.4
179.05531	1.4
180.04179	0.3
191.03497	0.3
191.05510	1.4
221.06639	0.7
233.15454	1.0
235.16982	9.3
236.17258	0.5
251.16505	3.6
298.50052	0.3
353.08759	0.3
371.23154	0.3
395.20700	2.9
396.20920	0.4
413.21793	12.7
414.22134	1.1
455.22849	100.0
456.23196	8.7
575.30768	0.5
617.27997	0.4
706.64264	0.3
823.55432	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	19.6
60.38705	0.9
61.98689	1.0
63.10209	1.0
66.26636	0.8
69.03341	1.7
71.01250	13.1
71.58629	1.1
72.72871	0.8
72.99178	1.5
73.02821	1.8
77.60925	0.9
83.01263	1.1
85.02814	4.9
85.78599	0.8
87.00749	3.4
89.02316	7.8
93.03306	1.1
95.01270	1.2
96.95895	4.3
101.02312	9.3
113.02328	7.5
119.03375	2.1
120.98933	1.1
121.02816	1.0
125.02345	2.6
131.03371	1.2
135.04382	2.1
143.62247	1.1
147.04404	2.3
149.02367	1.4
149.04388	1.3
149.05980	1.0
161.04478	1.7
165.05370	1.2
167.14302	1.9
173.04454	1.6
177.01796	1.4
183.13832	14.5
191.03345	1.3
191.05492	1.8
193.12230	1.1
195.12021	1.8
195.13823	31.4
196.14183	1.5
209.08084	2.9
211.13327	53.0
212.13641	2.6
213.14915	13.0
226.96953	0.9
253.09201	1.3
315.26920	3.5
327.26532	1.4
359.25827	3.6
377.26877	6.0
378.27435	1.1
395.28448	1.3
407.27982	4.7
425.29099	26.1
426.29221	2.2
449.83237	1.0
495.49088	1.1
501.70578	1.0
633.37921	1.3
823.43335	100.0
824.43768	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	821.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.3
57.63956	0.7
58.00470	1.3
59.01250	100.0
60.01586	1.6
61.98708	3.1
62.07112	0.7
64.14156	0.7
69.03320	1.6
70.46122	2.5
71.01255	27.4
71.32883	0.8
72.99192	1.9
73.02822	6.8
75.00777	0.7
83.01263	4.8
85.02821	15.4
85.03282	1.2
87.00723	4.1
89.02313	7.8
93.03320	1.3
94.43858	0.7
95.01266	4.0
96.95917	1.2
97.02850	3.7
97.06479	0.8
98.19851	0.8
99.00784	2.7
101.02319	16.6
111.00774	2.2
112.01590	1.3
112.77924	0.8
113.02328	20.3
115.03973	0.8
119.03406	3.4
124.01588	3.2
125.02322	8.3
125.09602	1.0
143.03416	5.1
149.06036	2.2
149.09665	1.4
158.15244	0.7
161.04456	3.7
165.05431	1.1
171.08022	0.8
173.04466	2.0
179.05563	1.0
191.05498	1.7
192.39525	0.7
208.34860	0.8
209.08208	2.9
225.07715	1.1
288.90353	0.8
407.07867	2.1
408.07968	0.8
469.31775	5.0
487.32910	2.8
565.34393	1.1
577.33423	1.1
595.34888	1.9
613.35938	18.9
613.45465	1.3
614.36499	2.3
625.52155	0.8
631.36945	45.0
632.37054	7.7
645.37189	2.5
649.37994	12.8
649.47693	1.1
650.38635	1.8
673.37866	9.0
674.38513	1.9
691.39154	14.2
692.39496	1.9
733.40717	1.2
752.14160	0.8
821.41467	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	819.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.8
58.94149	0.4
59.01248	45.2
60.01579	0.7
62.12266	0.4
69.85744	0.4
71.01253	6.5
71.21243	0.9
72.99171	0.6
73.02814	1.3
77.29344	0.4
81.03336	0.5
83.01272	0.9
83.04890	1.4
85.02829	3.4
87.00754	2.0
89.02317	3.8
93.03323	0.9
95.01299	0.5
96.95880	1.4
97.02802	1.0
97.06459	1.0
101.02325	4.1
106.04117	1.8
107.04933	1.4
107.08599	0.5
109.06484	0.6
111.08038	1.5
111.73282	0.4
113.02312	3.1
117.22881	0.5
119.03404	0.7
119.04904	0.8
121.02827	0.9
123.00745	0.5
123.08086	0.6
125.02366	1.0
125.09604	2.6
130.31975	0.4
135.08011	0.6
137.02251	0.4
138.03159	0.5
145.06494	0.7
147.04399	1.0
147.08057	2.4
149.05978	52.8
150.06310	1.9
161.04398	1.2
163.03879	0.5
163.07513	0.8
165.05518	1.1
171.10194	7.3
179.05428	0.4
187.14951	0.5
191.05548	0.8
205.15895	1.4
209.08130	100.0
210.08459	6.6
211.13356	1.6
215.14363	0.8
221.06683	0.4
221.15552	0.7
225.07655	0.7
231.13852	0.9
233.15419	8.8
234.15741	0.6
249.14883	2.6
251.16493	0.5
310.17407	0.4
331.26428	0.8
339.08685	0.6
341.24728	1.2
352.09973	0.6
359.25806	0.8
367.11945	1.3
385.23730	1.4
397.13449	0.6
403.24820	4.1
411.11017	0.7
421.25955	3.5
427.13919	1.8
441.15353	1.6
487.59909	0.5
506.07181	0.5
591.22498	3.9
592.22491	0.7
629.35345	1.1
762.21497	0.5
801.39520	2.2
819.40204	34.8
820.40479	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	819.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01587	0.8
61.85203	0.3
61.98705	0.7
67.30450	0.3
70.60905	1.0
71.01241	2.7
72.99186	0.4
80.96381	0.3
83.01302	0.4
87.00768	0.5
89.02319	1.7
97.02821	0.4
100.29498	0.4
101.02322	1.5
104.92664	0.4
107.73862	0.3
109.26618	0.3
112.66330	0.3
113.02331	1.0
119.03425	0.3
125.02328	1.0
141.01602	56.0
142.01917	0.8
152.84979	0.3
235.08186	0.7
243.04985	0.8
254.81575	0.4
279.23297	6.3
280.23645	0.8
305.08725	0.6
361.23639	4.5
397.13495	12.5
398.13962	0.5
415.14478	1.9
419.11551	3.4
437.12668	4.1
469.06754	0.5
677.37518	0.9
699.35614	1.9
712.15051	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	2.3
59.01249	68.6
64.87262	1.0
66.19692	1.1
67.09805	1.2
67.97469	1.2
69.03316	2.6
69.30936	8.8
69.31349	2.8
71.01252	29.4
72.99197	1.4
73.02815	6.5
80.02464	1.2
80.50552	1.0
81.03343	1.8
83.01237	3.8
83.04881	5.8
85.02818	10.1
85.06445	1.5
87.00741	4.6
89.02316	13.8
95.01276	2.5
96.95866	2.1
97.02829	3.0
97.06451	2.7
98.19833	2.6
99.00726	2.0
101.02328	16.0
111.08042	1.6
113.02326	15.3
115.24828	1.2
119.03352	3.3
119.04874	1.6
124.01580	1.6
125.02320	4.8
125.09611	8.3
135.04369	1.6
143.03357	2.1
147.04407	3.2
148.90765	1.2
149.05959	2.6
161.04437	3.9
171.10190	18.1
179.05664	1.4
187.15028	1.2
191.05504	1.5
193.19652	1.4
205.15778	2.2
207.06494	2.3
207.13892	1.3
209.08199	6.2
209.11763	3.2
211.13313	5.9
215.14339	1.5
219.10074	1.4
221.15367	1.6
227.12819	1.4
233.15433	32.3
234.15620	2.0
249.14954	6.4
253.09337	1.5
331.26462	2.5
341.24789	2.6
359.25845	2.1
367.22559	2.3
377.27048	2.0
385.23816	8.5
397.13342	2.6
403.24957	16.0
404.25232	2.2
405.08096	1.6
415.14731	1.8
421.25769	7.8
467.30261	1.7
611.34204	5.1
627.21649	1.2
629.35297	17.0
630.35809	2.6
644.36389	4.5
647.36401	6.5
671.36279	2.0
689.37305	5.3
801.39142	20.5
802.39252	3.2
819.40186	100.0
820.40564	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	819.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.7
57.44682	0.5
58.00467	0.5
59.01249	100.0
60.01588	1.2
71.01250	17.4
71.57851	0.6
72.03851	0.4
72.99181	0.9
73.02824	6.2
83.01268	2.1
83.04889	0.7
85.02834	5.5
87.00758	1.4
89.02309	6.6
91.29906	0.4
91.46366	0.4
92.70409	0.4
93.03313	0.6
95.01277	1.7
95.04893	0.4
96.95911	1.2
97.02794	0.5
97.06472	0.6
97.67500	0.4
99.00765	1.9
101.02319	10.2
113.02322	8.3
113.09606	0.5
119.03375	2.8
125.02305	1.2
125.09634	1.0
143.03421	1.4
143.04939	0.4
147.04387	0.4
149.04524	0.5
149.06006	3.3
159.02899	0.5
161.04463	5.1
169.12283	0.6
171.10168	2.4
178.92216	0.4
179.05431	0.5
180.20250	0.4
209.08144	5.8
209.11823	0.5
210.43306	0.5
211.13339	1.0
215.14333	0.9
221.06700	0.5
233.15434	5.8
234.15822	0.7
249.14885	1.0
257.12930	1.0
282.49335	0.4
301.11908	0.8
313.16656	0.9
315.18118	2.2
331.17612	4.7
357.18979	0.6
359.25989	0.5
373.18674	5.7
385.23932	0.6
393.98688	0.5
399.10608	0.7
403.24969	1.7
421.25894	1.4
459.16611	0.9
519.19012	0.5
570.93469	0.4
611.34161	1.3
629.35327	3.1
630.35901	0.8
644.37201	0.9
647.36865	1.0
671.36609	0.8
689.37708	1.2
787.28986	0.6
801.39154	1.4
819.40289	14.1
820.40308	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	819.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.4
59.01249	38.5
69.03325	0.3
70.86359	0.7
71.01248	4.6
72.99193	0.7
73.02831	0.9
81.03291	0.4
83.04902	0.9
85.02818	2.5
87.00755	1.0
89.02324	2.4
93.03349	0.6
96.95892	0.9
97.06469	0.5
99.00748	0.4
101.02328	2.4
106.04133	1.1
107.04899	1.2
109.06499	0.3
111.08061	0.8
113.02329	1.9
113.05791	0.3
119.03374	0.6
119.04913	0.7
120.19352	0.3
121.02879	0.6
121.06518	0.3
124.01549	0.4
125.02315	0.9
125.09611	1.6
135.04408	0.3
137.02428	0.3
138.03198	0.3
145.06491	0.6
147.04425	0.8
147.08028	2.4
149.05980	44.1
150.05263	0.3
150.06294	1.6
161.04478	0.8
163.07556	0.5
165.05487	1.0
171.10185	4.3
179.05537	0.4
187.14882	0.5
191.07086	0.4
200.04733	0.4
205.15915	0.8
209.08127	100.0
210.08458	4.2
211.13362	1.1
215.14445	0.5
221.15309	0.4
223.09621	0.4
225.07547	0.4
231.13814	0.6
233.15443	4.0
249.14844	1.8
251.25105	0.3
252.13911	0.4
253.09280	0.4
257.17621	0.4
339.08533	0.4
341.25043	0.8
349.11002	0.4
353.10425	0.6
354.10733	0.4
359.25998	0.5
367.11920	1.2
377.27502	0.4
385.23666	1.3
397.13528	0.3
403.24875	2.9
411.10727	0.7
415.14587	0.4
421.25949	2.6
427.13873	2.1
441.15433	1.1
536.34637	0.4
573.21442	0.8
591.22302	4.5
592.22815	0.6
611.34399	0.5
629.35162	1.0
647.36200	0.6
671.36823	0.4
689.37335	0.6
731.12024	0.3
801.39166	1.4
819.40155	22.7
820.40692	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	819.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.6
58.00463	0.3
59.01247	100.0
60.01572	1.0
65.34954	0.2
69.49929	1.3
71.01249	11.5
71.53077	0.2
72.01591	0.3
72.99176	0.6
73.02814	4.2
83.01248	2.0
84.63361	0.2
85.02814	5.4
87.00758	0.7
89.02311	3.4
93.03351	0.4
95.01242	0.9
97.02827	0.4
99.00752	2.3
101.02317	8.4
101.02995	0.4
102.02673	0.3
109.02782	0.2
113.02321	4.0
119.03436	0.3
121.02854	0.3
125.02303	0.3
131.03410	0.3
135.04440	0.5
143.03412	0.5
149.02364	1.1
149.04428	2.0
159.02899	1.1
161.02415	0.2
161.04454	4.9
164.04745	0.6
173.04468	0.3
179.03468	0.3
191.05524	2.0
205.03539	0.3
223.06096	1.2
259.44382	0.2
269.10266	9.8
270.10657	0.6
289.07214	0.2
311.11325	6.5
312.11761	0.5
353.09036	0.2
355.10339	0.5
463.21841	4.5
464.22058	0.5
591.81573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39816	0.2
59.01248	39.8
60.01591	0.3
70.80583	0.6
85.02818	2.5
87.00747	0.2
93.03317	0.3
106.04105	1.2
107.04911	1.1
108.02061	0.3
119.04914	0.5
121.02877	0.4
137.02254	0.2
138.03041	0.2
145.06526	0.5
147.04391	0.4
147.08038	1.6
149.02341	0.7
149.05978	47.2
150.06349	1.9
153.05440	0.2
153.84450	0.2
163.07579	0.4
165.01837	1.0
175.03868	0.3
175.22432	0.2
176.04698	0.4
177.01837	7.4
178.02472	0.3
179.03392	0.3
180.04149	0.6
181.04939	0.4
188.12106	0.2
191.07027	4.8
192.04195	5.9
193.04825	0.6
195.06604	1.3
205.08577	0.8
207.06548	9.2
208.07294	1.3
209.08122	100.0
210.08456	5.1
223.09691	4.9
225.07584	0.8
237.07495	0.3
267.08716	3.1
385.13022	0.3
387.14392	1.1
399.14545	0.5
401.15967	0.3
477.17740	0.4
573.21594	0.3
579.21991	0.7
591.22253	0.7
609.23676	0.4
627.24420	0.4
653.30835	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72234	0.3
59.01249	45.2
60.01596	0.2
71.07153	0.4
71.07489	0.4
72.66741	0.2
85.02822	2.8
87.00761	0.2
88.18594	0.3
89.02367	0.2
93.03338	0.4
96.95872	0.2
101.02335	0.3
102.64693	0.2
104.10143	0.2
106.04079	1.1
107.04917	1.0
108.02020	0.4
119.04924	0.6
121.02834	0.3
122.62205	0.2
128.27357	0.2
138.03134	0.3
145.06471	0.6
146.00012	0.2
147.04396	0.7
147.08060	2.3
149.02324	1.0
149.05980	48.3
150.06293	1.3
154.29057	0.2
161.02333	0.5
163.07545	0.3
165.01854	1.7
166.02576	0.4
173.06024	0.3
175.03897	0.4
177.01842	6.5
177.05544	0.3
178.02585	0.7
179.03372	0.8
180.04170	1.1
181.04951	0.3
191.07063	5.1
192.04190	5.2
192.07393	0.3
193.04912	0.6
194.05817	0.3
195.06563	1.1
205.08650	0.9
207.06563	6.3
207.10008	0.2
208.07317	2.5
209.08131	100.0
210.05315	0.3
210.08473	4.4
223.07552	0.5
223.09721	7.7
225.07643	0.7
267.08673	2.0
283.05972	0.2
295.54880	0.2
307.68030	0.2
312.42825	0.2
313.10977	0.3
355.11890	0.3
367.11749	0.4
387.14465	1.1
399.14450	0.6
401.16107	0.3
417.15759	0.4
429.15350	0.5
455.16983	0.6
477.17514	1.0
561.21033	0.5
573.21136	0.6
579.22290	1.3
591.22217	1.1
609.23212	0.7
621.44562	0.2
627.24292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	56.8
67.85685	1.0
69.26170	5.8
69.26586	3.4
79.34010	0.9
85.02823	14.3
93.03356	1.2
97.02857	1.7
106.04124	1.3
107.04884	1.9
119.04970	1.2
123.00772	2.3
125.91586	1.1
126.17093	1.0
138.03114	2.4
139.03822	1.8
145.06480	1.8
147.04375	1.6
147.08076	2.1
149.05981	55.1
150.06337	2.2
151.00288	10.6
152.00995	3.4
153.05484	1.6
159.04398	1.2
165.01865	6.2
165.05466	1.1
166.02629	26.8
167.03183	1.7
173.05917	1.5
175.03923	3.1
176.04694	1.6
179.03423	5.6
179.07094	1.1
180.04189	4.6
181.04980	27.3
182.05266	1.4
186.03142	1.0
187.03818	1.8
188.04668	1.6
191.07056	15.9
192.04199	1.9
193.04886	1.3
194.05789	3.9
195.06558	9.9
201.05449	1.4
201.11635	1.0
202.06300	1.7
203.03442	10.6
205.08595	1.6
206.05746	1.1
207.06583	1.0
209.08130	100.0
210.08548	4.2
218.05766	11.0
219.06459	0.9
221.08150	1.5
233.08159	17.0
234.08440	1.1
287.05606	4.4
289.07059	1.2
293.10291	2.3
302.07953	8.7
308.06860	1.2
313.06958	1.0
315.08502	0.9
317.10269	18.4
318.10599	1.6
323.09171	2.5
328.09445	1.5
330.11008	2.1
335.09103	1.0
338.11685	2.1
340.09329	1.1
343.11673	1.6
354.11166	1.8
369.09454	2.0
369.13644	1.7
384.11963	1.2
385.12766	4.6
387.14539	7.0
399.14450	22.1
400.14877	2.1
417.15500	3.1
447.16489	2.1
459.16565	13.6
460.16711	2.3
477.17636	4.8
505.17197	2.8
506.17853	1.0
519.18677	49.6
520.18982	6.8
545.20282	1.9
579.22900	1.6
591.22168	5.5
592.22192	1.4
609.23273	3.7
626.57227	1.1
651.24445	10.6
652.24719	2.4
669.25708	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	819.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00973	0.2
59.01246	5.0
65.03828	0.3
67.01753	0.9
68.61145	0.2
70.92286	0.6
70.97981	0.2
71.01257	1.3
79.05439	0.3
85.02822	0.5
89.02323	1.0
93.03321	0.7
95.04914	0.3
96.95872	0.7
101.02329	1.3
107.03639	0.5
108.04414	0.6
112.98167	0.3
113.02320	0.6
119.03380	0.4
120.04440	2.8
121.02827	0.3
121.05198	2.1
122.06009	6.6
132.04393	0.4
134.06009	3.4
135.06818	1.3
136.01604	0.3
136.07576	12.0
137.02313	0.6
146.05975	0.4
147.06697	0.3
148.07545	0.5
151.00275	0.3
151.03947	0.3
152.07062	0.6
158.02374	1.2
160.06226	0.3
161.02405	0.3
161.07098	1.2
162.05457	0.5
165.01807	1.3
166.02336	0.4
171.11717	2.2
173.04546	0.3
176.03380	0.4
177.01857	0.4
179.03384	0.6
180.04147	1.0
181.04721	0.6
184.07681	0.4
186.09200	0.7
189.10225	0.6
190.05005	5.7
190.06593	0.5
191.05539	1.6
195.06522	1.4
196.06883	0.4
198.09169	2.0
198.76044	0.3
199.09926	1.6
212.10698	0.3
214.12294	12.0
215.12589	0.8
225.07639	0.5
226.07547	1.1
227.08220	2.6
228.08951	1.2
229.09766	5.6
229.13301	0.3
230.06960	0.5
230.11815	4.1
231.12236	0.3
239.11920	0.3
241.09769	8.4
242.10548	16.6
243.10971	0.9
256.12030	0.6
257.12915	90.2
258.13263	6.2
283.10858	0.4
300.11118	0.5
301.11905	100.0
302.12207	6.0
314.12665	0.5
323.10297	0.6
337.11917	1.8
338.12375	0.6
357.13516	0.3
387.14331	0.7
388.14801	0.4
422.11423	0.3
517.18237	19.3
518.18689	2.6
566.21198	0.4
567.21216	0.9
715.26526	0.4
743.29395	0.4
747.28369	0.3
775.32135	0.7
787.28082	0.7
819.30188	2.1
820.31866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01581	0.8
61.56133	0.2
61.98699	0.6
69.03337	0.3
70.85667	0.5
70.86031	0.7
71.01246	3.0
72.99184	0.5
73.02831	0.4
83.01298	0.3
85.02828	0.5
87.00760	0.7
88.72805	0.2
89.02312	1.9
93.27439	0.2
95.01276	0.3
96.99210	0.9
97.02833	0.6
101.02335	2.1
113.02349	1.3
114.94751	0.3
119.03381	0.8
125.02342	0.9
131.53966	0.2
141.01596	55.9
142.01952	1.2
143.03378	0.4
152.00781	0.3
153.01556	0.6
161.04477	0.4
165.01622	0.6
177.86407	0.3
178.39207	0.2
225.96877	0.3
235.08177	1.1
243.04768	0.7
253.09315	0.3
275.07751	0.3
277.21707	6.1
278.22043	0.5
295.11075	0.3
297.05991	0.3
320.62598	0.3
322.36316	0.3
359.21988	5.7
360.22458	0.5
396.19601	0.3
397.13535	12.3
398.13779	0.8
409.01007	0.3
415.14603	2.5
419.11670	3.3
437.12769	4.6
438.12756	0.4
469.06546	0.8
515.21149	0.3
675.35620	0.8
697.33899	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	817.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01604	0.7
60.35722	0.4
61.89103	0.4
66.71065	0.4
69.03341	0.5
71.01242	2.7
71.58408	0.5
73.02826	0.6
73.59428	0.4
83.01267	0.4
85.02835	0.6
87.00727	0.3
89.02319	2.0
96.95856	0.4
101.02339	2.1
103.91897	0.4
113.02351	1.4
119.03417	0.6
124.68100	0.3
125.02350	1.1
141.01590	58.4
142.01953	1.5
143.03407	0.6
153.01559	0.7
155.46925	0.3
161.04431	0.5
235.08165	0.6
243.04884	0.8
262.14188	0.4
270.74619	0.5
277.21765	6.7
278.22046	0.7
305.08939	0.5
359.22049	4.6
397.13498	13.1
398.13702	1.4
398.18808	0.4
415.14410	2.6
419.11523	4.7
437.12772	5.4
469.06552	0.6
540.01123	0.4
675.35382	0.8
697.33618	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
59.64861	0.2
60.01596	0.9
61.98703	0.6
68.23746	0.2
69.03308	0.3
71.01248	3.1
71.66418	0.2
73.02816	0.2
75.00741	0.3
79.60265	0.2
83.01260	0.2
85.02831	0.5
85.78665	0.2
85.79236	0.2
87.00769	0.6
89.02309	2.1
95.01261	0.4
96.99200	0.5
97.02850	0.6
101.02320	1.7
113.02331	1.1
119.03373	0.6
125.02320	0.8
141.01593	59.5
142.01920	1.1
142.80461	0.2
143.03398	0.5
153.01572	0.3
161.04398	0.5
163.67827	0.2
165.01624	0.4
179.05476	0.4
190.32472	0.2
235.08252	1.0
243.04805	0.4
253.09325	0.2
257.06473	0.4
277.21722	6.2
278.22159	0.4
283.20093	0.2
287.07635	0.2
346.62234	0.2
359.22015	4.6
360.22311	0.5
397.13477	11.1
398.13748	0.6
415.14539	2.4
416.14517	0.3
419.11740	2.7
437.12711	3.7
438.12604	0.3
469.06537	0.8
675.35583	0.5
697.34113	1.5
698.33734	0.6
766.60175	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.7
58.00459	1.4
59.01250	100.0
60.01575	1.9
61.98671	0.9
69.03320	2.1
71.01250	51.5
71.12431	0.9
71.12765	1.5
71.63840	0.8
72.99171	2.4
73.02817	14.9
81.03337	1.4
83.01263	6.4
85.02819	17.0
87.00762	4.4
89.02312	27.3
93.03323	1.5
95.01272	6.0
96.95890	3.7
97.02824	2.3
99.00743	2.6
101.02321	25.4
101.03004	1.5
102.02626	0.8
109.02924	0.8
111.04361	0.7
113.02328	40.9
114.02670	1.5
119.03373	8.5
123.04383	1.2
124.01555	1.2
125.02356	7.7
131.03377	1.4
133.02823	0.8
135.04370	1.5
143.03413	7.2
149.04459	2.2
155.03358	1.2
161.04463	11.2
165.05513	1.1
173.04456	1.5
179.05496	3.8
191.03494	1.0
191.05522	3.6
221.06761	1.1
223.05974	1.0
263.46545	1.1
465.28317	4.0
483.29208	1.2
491.24963	0.9
609.32825	11.0
610.33002	1.7
627.33813	37.7
628.34424	7.2
645.34851	12.4
646.35309	1.9
669.34760	9.3
670.35120	1.8
687.35876	12.9
688.36475	2.4
729.36713	2.2
790.29681	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.9
58.00457	2.4
58.87248	1.2
59.01249	100.0
69.03328	2.6
71.01250	53.0
71.58699	2.6
72.38744	1.5
72.99184	4.9
73.02826	15.8
77.92199	1.7
80.04927	1.5
83.01266	9.5
85.02824	16.2
86.78227	1.5
87.00752	5.3
89.02312	22.6
93.03320	2.1
95.01259	6.1
96.95885	5.0
97.02849	2.8
99.00760	4.4
100.30978	1.4
101.02318	26.9
106.06503	5.3
113.02328	30.6
119.03426	6.9
122.05996	7.2
125.02332	7.4
132.04407	2.3
134.06018	27.0
143.03444	3.2
147.04443	2.6
148.04025	2.1
149.04449	1.5
152.07065	4.4
160.03966	2.4
161.04460	7.9
165.01749	2.0
166.02583	2.0
179.05524	4.7
190.04985	5.1
191.05524	3.5
213.10258	5.5
225.10223	1.8
239.11885	2.8
241.13371	2.3
249.10446	2.4
251.11832	1.6
263.08221	2.3
265.09763	2.3
267.11343	5.4
277.09787	3.5
279.07596	3.4
279.11313	1.7
284.96191	1.6
285.12436	3.6
291.07764	1.5
293.09262	2.5
305.09308	5.4
316.14587	5.0
320.08252	1.6
327.13333	2.3
328.14529	1.8
337.12006	3.4
340.14572	9.5
344.13641	2.3
345.61444	1.5
352.10944	1.4
356.13733	2.7
358.15726	3.3
368.10306	2.6
370.15570	2.0
384.13351	8.8
396.13553	3.2
398.15137	7.1
400.16708	1.6
410.15140	2.2
412.16595	4.7
426.14600	2.2
465.28470	2.1
573.21179	2.6
591.22528	2.1
609.32574	6.6
610.33533	1.8
627.33832	27.9
628.33948	4.0
645.35364	8.4
646.36011	2.4
669.34827	5.0
687.35876	8.4
694.25909	6.7
711.26953	3.4
712.27863	2.1
725.27820	1.8
753.27716	62.0
754.28265	13.3
785.30322	58.5
786.30353	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	817.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	12.3
68.99688	1.3
69.03328	0.4
70.33901	1.2
71.01251	4.0
73.02827	1.8
78.95786	0.5
81.03323	0.4
81.29910	0.3
83.01272	0.8
83.63263	0.3
85.02822	2.1
87.00759	1.1
89.02307	2.8
93.03332	1.1
95.01250	0.7
96.95891	1.4
101.02326	2.5
103.81717	0.3
106.95368	0.3
113.02329	2.6
115.05413	0.3
115.18060	0.3
117.03352	0.3
119.03362	0.8
119.04913	4.6
121.02831	0.9
123.00773	0.4
125.02304	0.7
125.09556	0.5
129.03363	0.6
132.42056	0.3
135.04375	0.6
138.03113	0.7
142.62296	0.3
143.03862	0.5
143.04932	2.6
145.06505	8.9
147.04414	100.0
148.04756	3.8
149.05974	4.3
151.00256	1.4
152.01057	0.7
161.04465	1.2
161.05916	0.4
163.07457	0.4
164.04857	0.3
165.01859	0.7
166.02620	3.4
167.03305	0.4
171.04413	2.9
171.10185	0.8
179.03391	0.9
179.05559	0.5
180.04179	0.5
181.04971	3.3
186.99263	0.3
187.03958	0.4
187.14832	0.8
189.05486	8.4
190.05827	0.3
191.03438	0.6
191.05443	0.7
191.07031	0.5
194.05682	0.4
195.06512	1.3
203.03477	0.7
203.07127	0.6
207.06601	0.9
209.08131	6.5
210.08470	0.4
218.05739	0.6
231.13826	0.8
233.08127	0.9
247.13388	0.7
262.05939	0.4
287.05573	0.7
302.07892	0.7
317.10349	0.8
369.13373	0.4
383.22223	0.7
385.12888	0.4
387.14584	1.8
397.13525	0.7
399.14777	0.7
401.23438	1.0
417.15601	0.4
425.98996	0.3
447.16544	1.2
465.28476	0.4
477.17715	2.5
519.19092	2.2
547.18451	0.4
589.20850	1.2
607.21851	0.7
609.23370	0.4
609.33209	0.7
627.24683	0.6
627.33807	2.6
628.34229	0.4
645.34753	0.6
649.22858	3.9
669.34985	0.5
687.35864	0.9
781.28522	2.3
782.28265	0.5
799.38379	3.0
800.37109	0.3
817.38477	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43281	1.6
59.01254	3.8
71.01266	3.2
74.96072	1.8
83.04911	2.3
88.98667	4.7
89.02320	2.0
118.34017	1.7
163.11165	1.7
184.73888	1.7
209.11766	100.0
210.12099	3.9
227.12836	10.2
235.08176	3.5
246.64600	1.9
253.09128	9.2
277.21701	77.5
278.21927	8.1
279.67621	1.9
362.98425	2.2
445.20450	3.1
469.98880	1.9
516.09711	1.9
600.78790	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	817.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05811	0.2
59.01250	2.0
63.02271	0.4
65.00182	1.2
69.76676	1.3
69.77097	0.5
71.01233	1.0
73.02811	0.6
81.91209	0.3
83.01241	0.7
85.02814	0.5
93.03304	0.5
101.02304	0.7
107.01263	2.5
108.02032	0.9
109.02879	1.4
111.05106	0.3
113.02325	0.4
119.01284	0.3
121.02840	2.2
125.02345	0.4
135.00786	0.6
136.59584	0.3
148.01553	1.1
149.02374	0.4
151.00262	9.3
152.00580	0.4
161.02391	0.3
163.00288	2.3
164.00945	0.4
167.03363	0.3
169.01276	0.6
171.04442	0.3
174.11841	0.4
175.03918	0.5
178.99756	5.4
180.00026	0.3
183.04433	0.4
187.03946	0.6
190.99933	0.3
191.05556	1.0
201.05452	0.4
203.03278	0.4
211.03888	1.0
216.04205	0.3
226.02629	0.6
227.03506	2.0
229.04916	0.6
237.53334	0.3
243.02930	5.1
244.03639	0.4
245.04417	1.6
254.02136	0.9
255.00201	0.6
255.02943	12.9
256.03397	1.2
266.02341	0.3
271.02460	27.5
272.02881	2.7
273.03998	1.0
283.02371	1.8
299.01929	0.6
300.02725	60.2
301.03473	45.7
302.03854	3.2
318.52924	0.4
447.09280	100.0
448.09595	10.1
532.58252	0.3
725.70795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	7.0
58.00467	4.5
59.01247	84.9
67.01748	1.9
69.03320	3.9
69.39287	1.9
71.01248	100.0
71.58300	2.7
72.99167	7.6
73.02811	22.7
75.00745	3.2
81.03354	2.6
82.57356	1.6
83.01261	14.8
83.04897	1.8
85.02819	45.4
87.00757	12.4
88.98611	1.8
89.02309	37.6
93.03338	6.7
95.01266	11.7
96.95883	9.3
97.02813	5.3
99.00751	13.5
101.02322	60.0
109.88235	1.7
111.00748	7.9
111.04430	2.9
111.54545	2.2
112.01549	2.3
113.02328	47.6
113.39179	1.7
119.03371	16.2
121.02868	3.2
124.01552	3.6
125.02355	10.7
129.01804	4.8
131.03386	4.2
133.02907	2.5
134.03650	4.4
135.04419	5.6
137.02318	3.2
143.03383	7.6
147.67206	1.7
149.02391	2.5
149.04509	2.2
150.03156	2.1
151.03883	2.9
155.03413	1.9
159.02911	4.8
161.02313	3.9
161.04491	12.4
165.01857	2.1
165.05484	2.0
173.04486	6.4
179.03377	2.2
181.04921	2.1
191.03418	5.2
191.05521	9.9
193.04854	3.6
195.06551	3.1
205.79219	1.8
207.02937	1.9
217.04816	1.9
223.06009	2.6
235.06073	2.9
324.67999	1.9
337.09055	2.5
399.23883	4.5
489.71063	2.0
507.25864	8.0
543.28021	16.5
561.28906	28.3
562.29492	3.7
603.30872	2.7
705.33331	90.3
706.33539	12.9
723.34424	91.9
724.34137	12.7
765.35388	29.7
766.35876	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	815.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	3.2
71.01250	2.6
71.58150	2.0
80.02525	1.5
81.03316	1.6
83.04889	5.0
89.02280	1.5
101.02311	1.9
102.35264	1.0
127.17725	1.0
138.97348	1.1
163.11162	3.1
165.12738	1.9
209.11768	100.0
210.12196	7.1
227.12834	10.1
235.08371	1.3
253.09363	6.6
259.15341	1.5
277.21713	50.0
278.22000	4.0
279.54807	1.2
297.24411	1.3
445.20828	2.1
455.45636	1.2
470.75711	1.2
706.96112	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	807.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23486	0.3
58.00451	0.3
59.01245	7.7
61.98701	0.4
63.75858	0.3
69.03344	0.5
71.01250	7.4
71.26818	0.3
71.27139	0.6
71.94569	0.3
72.99152	0.9
73.02811	0.9
76.72331	0.3
83.01267	1.0
85.02818	1.6
87.00743	1.2
89.02312	5.6
90.29370	0.4
91.12097	0.3
95.01239	0.4
96.95889	1.1
97.02817	0.6
99.00746	0.4
101.02308	5.4
113.02335	3.1
119.03379	1.5
124.91830	0.3
125.02330	1.8
131.03456	0.5
143.03355	0.6
149.05939	0.6
161.04422	2.2
164.23540	0.4
167.57509	0.3
179.05525	1.8
183.12164	0.6
183.13820	12.9
184.14134	0.5
195.13823	13.0
196.14105	0.7
202.58585	0.4
209.08212	0.7
211.13400	0.6
213.14894	100.0
214.15221	4.6
235.08197	2.4
253.09152	2.0
287.07867	0.4
305.08737	0.5
323.09872	0.7
379.12265	1.1
397.13477	17.7
398.13828	1.0
409.29678	2.8
415.14563	8.6
611.29297	2.2
771.79956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.1
61.98693	0.8
71.01266	3.3
71.58656	0.9
73.02813	0.9
74.70634	0.8
77.30427	0.8
85.02824	1.2
89.02303	1.2
93.03350	4.8
95.01244	1.1
96.95895	3.1
99.33961	0.7
101.02333	2.2
105.03313	0.8
108.02052	1.1
109.02829	2.0
113.02328	1.5
119.03310	0.7
121.02835	7.7
122.02810	1.1
122.03634	14.4
123.00758	1.0
123.04442	1.6
125.02306	1.0
133.02835	3.2
134.03616	2.4
135.04437	1.8
136.01569	5.5
137.02350	6.1
144.80272	0.7
145.02849	1.1
146.03670	1.8
147.04372	1.2
149.02347	28.6
149.05975	4.5
150.03133	100.0
151.00308	1.2
151.03928	17.9
152.04642	1.1
161.02397	1.2
162.03110	1.0
163.03929	0.9
164.04695	6.0
165.05482	88.1
166.02638	5.5
166.05849	2.9
167.03429	1.6
173.04449	1.0
177.01904	0.8
177.05556	2.2
179.03383	1.6
179.07054	9.2
180.04185	6.8
181.05008	7.3
187.03961	0.9
187.98337	0.7
191.03568	1.0
191.05450	1.5
192.04175	0.7
193.05026	1.2
195.06557	48.3
196.06850	1.7
205.04999	2.3
206.05684	1.0
207.06581	0.7
209.08173	0.8
219.06586	1.4
220.07401	1.2
334.71799	0.7
387.14822	1.2
403.14178	1.5
416.14902	1.1
417.15585	8.3
475.29227	1.5
517.30261	2.8
561.32727	3.9
564.20056	1.0
565.20758	18.4
566.21320	1.9
595.21948	3.3
613.22864	4.8
619.22076	1.7
672.04333	0.8
713.25751	9.3
714.26465	1.4
743.27014	2.1
761.28455	1.9
809.29779	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	805.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.9
57.62045	0.3
59.01246	1.0
62.04555	0.3
64.01684	0.3
64.58010	0.3
69.03349	0.3
69.42598	0.3
71.01257	0.7
71.07872	0.3
71.58395	0.5
78.95762	0.7
79.95597	0.6
80.96387	3.0
87.00771	0.3
93.06947	0.6
94.97974	0.8
95.04879	0.4
97.06448	1.4
101.02341	0.3
114.48132	0.3
121.02812	0.5
121.10116	8.8
122.10510	0.5
123.08025	0.8
125.09610	5.5
141.12729	0.8
147.08081	0.6
164.98537	0.5
171.10178	0.3
177.12852	0.4
185.11752	11.8
185.13431	0.6
186.12122	0.4
191.29929	0.3
193.83588	0.3
197.11743	3.1
209.11786	1.8
211.13341	1.6
223.13268	1.0
225.00635	0.9
225.54533	0.4
247.13423	0.7
247.20729	0.7
253.09157	0.7
273.18686	0.9
277.21686	5.5
278.21881	0.5
279.23132	0.6
289.17877	0.4
291.19647	100.0
292.19977	7.5
312.50696	0.3
476.28088	0.4
565.83887	0.4
647.88000	0.3
805.40247	3.6
806.41272	0.9
833.83063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.2
59.01245	0.7
61.98686	0.4
64.00198	0.3
69.03308	0.3
69.18246	0.3
71.01235	0.6
71.58588	0.4
78.95777	0.5
78.98457	0.4
79.95618	1.0
80.96390	4.8
87.00761	0.3
90.08026	0.3
93.06977	0.8
94.53609	0.3
94.97962	1.2
95.04882	0.3
97.06454	1.0
109.17641	0.3
109.83948	0.2
121.02841	0.6
121.10123	7.5
122.10461	0.5
123.08068	0.7
125.09608	4.4
134.97400	0.3
141.12692	0.6
147.08089	0.8
150.83292	0.3
152.98505	0.5
155.11848	0.3
163.11192	0.4
164.98518	0.9
165.12706	0.3
167.10468	0.3
185.11748	10.7
197.11732	3.3
209.11778	1.3
211.13310	1.0
223.13358	0.8
225.00700	1.2
247.13432	0.5
247.20634	1.1
253.09138	0.9
273.18564	0.8
277.21698	5.7
278.22162	0.4
289.18179	0.4
291.19647	100.0
292.19962	7.3
304.06073	0.4
320.47198	0.3
350.01358	0.3
537.56683	0.3
574.56226	0.3
787.80341	0.3
805.40454	4.5
806.40149	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	20.8
61.98695	1.0
69.95504	4.7
71.01257	11.4
72.99175	1.5
73.02810	2.4
83.01287	1.0
83.04889	1.6
85.02818	3.7
87.00732	2.3
89.02306	8.7
93.03347	1.4
95.01253	1.5
96.95901	2.1
97.02825	1.4
101.02322	10.2
108.20644	0.9
109.06474	1.9
111.08070	1.6
113.02327	4.6
119.03384	2.5
125.02329	2.0
135.08028	1.1
137.09595	1.1
141.14244	0.9
147.04407	1.3
149.05980	4.2
161.04417	2.0
183.13733	1.3
191.05515	1.3
209.08208	6.3
210.08482	1.1
211.13315	17.4
213.14868	1.4
221.06517	1.8
231.17361	1.2
239.16405	3.0
241.18085	3.0
247.16948	0.9
253.09297	2.2
265.18094	1.0
267.19608	2.1
275.16431	1.7
315.26892	3.2
317.28455	2.1
325.25311	8.0
333.27866	1.2
341.24710	3.1
343.26407	6.0
351.23267	1.7
359.25879	5.2
361.27408	3.2
369.24231	6.7
387.25381	10.7
397.13312	2.8
405.21652	0.9
405.26395	24.6
406.26834	2.9
415.14441	2.0
524.61371	1.0
544.07190	1.2
735.06494	1.0
803.40613	100.0
804.41071	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	803.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.6
59.01249	26.8
61.98698	24.7
69.03312	0.8
71.01253	13.0
71.58048	1.2
73.02798	0.9
83.01251	1.3
83.04899	1.9
85.02818	5.8
87.00755	2.5
89.02302	8.0
93.03367	1.2
96.95898	2.8
97.06449	0.9
101.02319	8.2
102.79499	0.8
111.08051	1.2
113.02304	3.0
119.03348	2.2
119.04910	1.1
122.99650	1.1
125.02354	2.2
131.03319	1.1
149.05991	16.9
160.12596	1.1
161.04521	1.8
165.05653	1.0
183.13847	1.3
191.07047	2.6
193.12399	0.8
209.08130	28.5
210.08411	1.8
211.13338	9.5
213.14735	1.4
223.09694	2.2
231.17444	1.6
235.08411	0.8
238.82758	0.9
239.16556	1.8
241.18100	2.0
247.13367	2.2
253.09155	1.3
275.16498	1.9
283.12869	0.8
294.05109	0.9
313.25455	1.5
315.26862	2.4
316.71912	0.9
317.28375	1.4
321.27585	1.0
325.25409	6.3
333.28012	1.7
341.24741	3.3
341.43030	1.0
343.26392	5.2
351.23059	1.3
359.25757	5.6
361.27527	3.3
369.24301	6.8
377.26804	1.5
387.25400	11.9
397.13358	1.3
401.16196	1.2
401.86002	0.9
405.26450	24.0
406.26773	1.9
415.14587	2.2
428.52539	1.0
461.18262	1.1
593.24237	1.7
767.28809	1.1
803.40674	100.0
804.41150	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	803.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.4
58.00459	0.2
59.01249	100.0
60.01588	0.7
69.81657	0.8
69.82076	0.3
71.01250	8.9
73.02816	3.4
75.00729	0.2
83.01253	1.3
83.38866	0.1
85.02822	4.4
87.00768	0.4
89.02299	2.0
89.02728	0.1
89.87133	0.2
95.01276	0.7
97.02852	0.2
99.00761	1.2
101.02319	6.0
107.55146	0.2
113.02326	4.5
119.03408	0.5
125.02371	0.2
129.01840	0.2
133.40440	0.2
143.03404	0.3
159.02881	0.8
161.04459	4.2
161.05814	0.3
182.98486	0.2
200.91541	0.2
203.45218	0.1
284.83725	0.2
305.19434	0.2
315.18094	11.1
316.18524	0.8
357.19150	5.2
358.19571	0.6
374.26505	0.2
379.82553	0.2
398.08932	0.2
483.49283	0.2
662.18549	0.2
783.22137	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.6
59.01249	100.0
60.01582	0.9
69.66333	0.9
71.01252	12.3
72.99199	0.3
73.02821	3.5
75.00765	0.1
83.01255	1.2
85.02821	4.8
85.36938	0.1
87.00757	0.4
89.02316	2.5
95.01265	1.0
97.02846	0.3
99.00760	1.5
101.02321	6.2
109.45122	0.1
113.02325	5.0
119.03389	0.8
125.02377	0.3
129.01845	0.2
143.03380	0.3
159.02910	0.8
161.04451	4.2
165.28979	0.1
179.05588	0.1
186.39230	0.1
203.05515	0.2
234.75443	0.1
237.57919	0.1
315.18109	8.5
316.18582	0.5
349.58398	0.1
357.19168	2.6
358.19836	0.2
425.07892	0.1
572.60925	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	803.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.7
59.01249	100.0
60.01592	1.1
63.30954	0.3
64.32134	0.3
65.12614	0.4
69.82156	2.0
71.01251	10.0
73.02821	2.7
79.52802	0.4
83.01280	1.1
85.02820	5.3
89.02330	1.6
95.01277	0.9
98.19859	0.5
99.00733	1.8
101.02316	5.7
113.02332	4.4
130.20572	0.4
156.31038	0.3
159.02904	0.4
161.04460	3.6
246.37489	0.4
284.90759	0.4
301.11255	0.5
315.18085	8.8
316.18661	0.5
357.19165	2.3
583.77747	0.5
796.09570	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01590	1.9
61.98706	1.6
71.01256	6.7
71.01849	2.2
71.02168	1.5
85.02825	18.4
87.00780	2.2
87.73801	1.3
89.02326	3.5
93.03385	2.2
96.95895	4.8
101.02353	2.4
106.04136	2.9
107.04940	2.8
113.02328	2.0
119.04904	1.4
119.76254	1.2
125.09650	1.5
130.72919	1.3
135.04424	1.5
144.05731	1.5
145.06433	3.2
147.04405	3.0
147.08070	2.3
149.05980	84.5
150.06297	3.3
152.79646	1.3
161.02357	3.1
162.03091	3.9
163.03944	2.0
171.10141	4.4
176.04633	2.6
177.05449	8.1
179.03392	7.6
180.04138	3.4
191.07036	3.8
194.05775	7.4
195.06558	3.9
205.08636	3.3
209.08124	47.3
209.11743	3.3
210.08450	2.5
211.13310	2.7
213.14935	3.2
223.09813	3.6
229.04985	13.4
240.04074	1.5
241.04958	2.0
242.02177	4.8
243.02989	4.8
257.04544	8.7
271.02429	1.8
272.06830	3.0
285.04105	8.3
286.04837	2.5
300.06339	22.8
301.07138	23.0
302.07452	1.4
315.08743	67.9
316.09412	22.3
317.09659	2.0
330.11087	65.1
331.11450	2.6
369.13760	1.5
371.15173	1.9
397.13336	2.0
403.24344	1.7
415.19278	1.5
419.17551	1.4
443.17471	1.4
461.18213	24.1
489.17706	19.6
503.19214	82.3
504.19489	5.4
529.20697	6.3
546.97919	1.8
593.23956	17.1
594.24091	2.6
611.24762	5.9
635.24963	51.1
636.25391	6.9
653.26019	33.0
654.26721	4.2
654.41595	1.6
655.35925	1.6
673.80695	1.7
706.41760	1.4
767.30414	9.5
785.38519	4.9
802.39032	1.9
803.40167	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	801.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28897	4.6
59.01249	17.8
60.03828	4.6
61.98704	48.5
71.58474	5.8
80.96357	4.4
101.02334	4.6
120.04673	4.2
141.01625	10.5
162.71524	4.4
178.01999	4.1
201.11296	42.7
209.11761	100.0
210.12015	4.4
227.12749	10.7
235.08246	7.3
253.09322	11.1
277.21686	84.3
278.22058	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	803.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	79.4
61.98684	1.2
67.01754	1.3
71.01251	3.8
71.29710	3.1
72.84937	1.0
78.61598	1.1
85.02826	11.1
93.03336	3.6
96.95868	7.1
106.04121	1.5
107.04936	2.7
109.02787	1.9
113.02315	1.3
119.04902	2.1
121.02830	1.4
123.00813	1.8
124.01553	1.5
128.53001	1.1
135.04391	4.5
137.02347	1.8
138.03130	3.0
139.03880	2.2
145.06494	4.5
147.04430	12.6
147.08070	3.3
149.02264	1.5
149.05991	78.3
150.03162	1.6
150.06345	3.4
151.03796	1.6
153.05496	1.8
159.04488	2.2
161.02386	1.3
161.05991	2.8
162.03117	2.3
163.03857	1.8
163.07503	1.7
165.01930	1.3
165.05478	2.6
171.04448	1.7
174.03152	1.4
175.03909	2.2
187.03889	6.3
188.04735	1.9
189.05524	1.6
191.05531	1.8
191.07047	2.8
199.04050	1.6
202.06316	6.3
205.05006	2.6
205.08655	3.4
207.06679	1.9
209.08134	100.0
210.08554	5.6
211.13373	3.7
217.08632	2.0
220.07364	3.4
223.09630	2.8
225.07550	1.2
235.09851	2.0
241.05025	1.3
257.08051	1.7
306.81824	1.3
307.05902	2.9
313.07275	3.0
321.07587	2.5
322.08560	1.8
323.09259	3.0
323.12888	1.3
328.09406	1.3
337.10699	3.2
338.07886	1.6
341.10123	2.4
351.12430	1.6
353.10175	9.3
355.11908	3.0
368.12680	3.4
383.15060	2.6
385.64508	1.2
411.14227	1.8
413.12427	15.4
414.12567	1.6
415.14084	2.6
428.14938	2.5
429.15469	2.6
439.14362	1.6
443.17072	4.2
447.16415	1.6
461.18250	7.3
473.14392	2.5
488.17041	2.3
489.17676	3.4
503.19235	55.7
504.19537	6.6
529.20795	3.3
561.21039	3.0
575.23126	1.8
593.24146	9.0
611.24969	3.3
635.24976	26.2
636.06287	1.5
636.25336	4.9
653.25958	19.7
654.26465	4.8
754.08221	1.3
767.30536	7.3
785.30347	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	801.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	4.1
58.00476	2.3
59.01248	87.6
61.98684	2.7
65.03816	3.4
69.03317	5.5
71.01251	63.1
72.99171	6.2
73.02825	9.8
75.00756	1.8
81.03310	4.3
83.01270	10.4
83.04912	8.0
85.02821	19.2
85.06481	2.1
85.99946	1.8
87.00742	14.8
89.02312	39.1
91.05392	2.1
95.01257	6.2
95.04916	1.6
96.95872	6.9
97.02818	5.9
97.06454	6.8
99.00748	3.6
101.02325	36.6
109.06436	4.6
110.75363	1.5
111.04451	2.4
111.08022	5.9
113.02337	21.7
119.03420	8.2
119.04926	3.9
123.08063	3.7
124.01560	2.2
125.02335	11.2
125.09612	19.3
131.03389	5.3
135.04373	1.8
137.09619	2.9
141.24525	1.8
143.03374	5.6
143.04889	3.2
145.06456	3.2
147.04419	26.3
148.04721	1.6
149.04433	2.0
149.05934	15.7
161.04477	9.2
161.05638	1.6
161.09601	2.5
163.07515	2.4
165.05450	1.7
171.08745	2.9
171.10179	58.5
172.10594	3.3
173.04550	1.5
179.05513	10.2
183.13811	3.0
187.09671	2.1
187.15024	1.8
189.16388	3.8
191.05473	2.9
193.12373	1.8
205.15868	5.3
207.06538	3.1
207.13835	2.1
209.08128	31.9
209.11705	11.0
211.13333	17.0
213.12634	2.1
215.14346	7.7
221.06551	7.0
221.15356	3.3
231.13847	5.0
233.15411	56.4
234.15805	2.6
235.08124	5.1
249.14923	29.4
251.16397	3.7
331.26318	3.3
341.24716	7.3
346.49435	1.9
359.25937	2.7
367.22794	3.8
375.25064	3.0
377.27075	3.1
379.12454	3.6
385.23770	22.3
386.24231	2.8
393.26495	2.1
397.13470	30.1
403.24902	43.0
404.25134	3.0
415.14487	3.6
421.25943	22.2
422.26453	2.2
505.45752	1.7
551.23383	3.1
569.24176	2.1
593.33356	3.1
611.34552	5.9
629.27563	2.9
629.36591	1.9
647.28333	2.0
653.35504	3.4
671.36194	1.9
698.41675	1.7
773.39398	3.4
783.38055	100.0
784.38184	16.3
801.39069	83.3
802.39423	17.1
824.93396	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	801.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77514	0.6
59.01251	38.3
59.14753	0.6
59.72599	0.6
69.50921	2.7
69.51353	2.8
77.92053	0.6
83.89413	0.6
106.04134	1.1
127.90746	0.7
147.08067	3.3
149.05980	52.8
150.06363	1.8
191.05544	1.1
192.05984	0.6
209.08139	100.0
210.08502	5.7
223.09782	1.6
282.56992	0.7
321.85883	0.7
329.21069	0.7
469.21841	0.7
695.00165	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.9
58.00472	1.1
59.01248	100.0
60.01583	0.9
61.98722	0.6
69.03338	1.0
69.29050	5.5
69.29461	1.2
71.01250	29.5
72.99176	2.2
73.02811	6.5
75.00717	0.6
83.01252	3.9
85.02821	14.3
85.99976	0.7
86.03191	0.6
87.00755	2.3
89.02312	12.4
95.01258	3.6
96.95882	1.7
97.02834	1.2
99.00775	2.5
101.02312	15.5
106.06526	1.2
111.11956	0.6
112.01543	0.8
112.99068	0.6
113.02322	19.5
119.03396	3.5
119.04936	0.7
122.06035	1.5
124.01569	3.2
125.02312	4.9
129.01872	0.8
134.05997	10.3
143.03369	3.9
147.04446	2.1
149.05980	5.1
152.07108	1.5
159.02942	0.8
161.04482	5.0
161.05748	0.9
179.05551	1.3
191.05437	1.0
209.08138	6.9
233.15468	1.1
239.12065	0.9
277.64771	0.8
354.12714	1.5
357.14594	0.7
366.76044	0.7
367.09784	0.9
370.15750	2.9
382.11786	1.5
382.16031	1.0
383.12589	1.4
386.65656	0.8
390.03412	0.6
394.11945	0.6
395.12399	0.7
398.15036	8.9
403.24915	0.8
410.14999	3.4
429.83099	0.6
449.29312	2.3
467.30344	1.9
533.31940	0.7
557.31165	0.9
575.32440	0.8
593.33173	11.0
593.41229	0.9
594.34149	1.8
611.34265	40.1
612.34760	5.7
629.35431	12.9
630.35864	2.3
653.35181	4.8
671.36542	9.1
672.36444	1.3
725.28241	18.6
726.28174	3.6
757.31006	5.1
758.31598	0.8
769.27179	4.0
770.28894	0.8
783.38422	2.6
801.29327	10.0
802.30627	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	801.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	2.1
58.00451	2.9
59.01248	100.0
71.01251	35.4
71.57471	1.2
71.57829	1.4
72.99158	3.6
73.02816	5.6
74.29937	0.8
77.23953	0.9
83.01233	4.0
85.02814	13.0
87.00722	2.9
89.01817	1.4
89.02318	19.6
93.03343	1.4
95.01231	3.2
96.95869	2.0
97.02789	2.0
99.00742	2.2
99.70318	1.0
101.02324	20.2
106.06476	4.6
111.00711	0.9
111.37063	1.0
113.01513	1.1
113.02325	20.6
118.97838	1.0
119.03405	6.9
119.04906	1.5
122.05960	2.9
124.01508	2.0
125.02287	3.6
134.05011	1.8
134.06006	33.7
143.03381	2.3
145.06479	1.0
147.04350	3.3
149.05963	8.0
152.07047	4.1
161.04419	2.6
161.05827	1.1
166.71498	1.1
189.05362	1.1
191.05540	1.8
207.06509	1.9
209.08105	12.4
223.85338	1.0
229.01753	1.0
233.15381	3.0
235.08405	1.0
237.10074	1.3
239.11844	1.6
314.12164	1.4
340.10712	1.2
354.12552	5.8
357.14825	2.4
366.12280	1.6
367.09305	2.2
368.10056	2.1
368.13977	3.3
370.15454	7.4
382.11658	6.2
382.15991	1.8
383.12555	4.1
385.23709	1.1
395.12503	1.5
396.13370	2.3
397.13535	1.3
398.15060	28.3
399.15237	2.8
403.24490	1.1
410.15094	11.0
411.15317	3.0
430.17773	2.4
504.21561	1.5
545.21698	2.6
590.21210	1.3
593.33179	8.9
611.34320	27.1
612.34698	3.4
629.35077	11.5
653.35504	3.9
671.36115	5.4
681.29156	1.8
684.27936	1.3
697.27209	1.3
725.28198	61.8
726.28613	10.4
757.30841	17.1
758.30640	2.1
763.03998	1.2
769.27155	14.7
770.27563	2.6
783.37903	3.7
801.29456	37.2
802.29712	4.9
808.00140	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	3.1
67.01759	0.5
70.76991	1.6
71.01244	1.9
73.02824	0.6
85.02823	1.7
89.02311	1.0
90.17838	0.4
93.03350	1.5
96.95889	2.2
97.02808	0.7
101.02328	0.8
108.02060	1.1
109.02840	2.6
113.02352	1.0
121.02839	2.1
122.03618	1.4
123.00765	1.6
123.04411	1.2
124.01525	1.4
125.02305	1.4
127.03866	0.5
133.02791	0.7
133.28044	0.4
134.03653	1.1
135.04379	1.5
136.01558	49.4
137.02383	6.5
139.03917	1.5
145.06441	0.8
146.03636	0.7
147.04402	0.9
149.02319	0.6
149.06009	0.7
149.17799	0.5
150.03099	0.5
151.00298	9.0
151.03909	65.6
152.01105	1.2
152.04433	2.4
159.04391	1.3
160.05199	1.6
161.02328	0.8
161.05956	1.3
162.03142	1.0
163.03917	1.6
165.01903	1.0
165.05374	0.6
166.02623	37.3
167.03380	3.2
173.02354	0.9
173.04463	1.1
174.03099	0.6
175.03925	2.5
175.07458	0.7
176.04640	0.9
177.01903	2.3
177.05498	1.7
178.02541	0.7
179.03372	1.7
179.05600	0.5
181.04977	47.2
182.05293	1.3
184.03664	0.8
187.03964	0.5
189.05563	2.4
190.06250	2.1
191.03426	2.8
191.05420	3.4
192.04111	0.9
193.04959	0.7
195.02893	0.7
195.06564	0.5
205.04985	2.3
205.08681	1.4
206.05754	2.0
207.06494	1.0
209.04523	0.8
209.08038	0.9
220.07295	1.7
221.08134	7.6
266.05798	0.8
281.08188	0.6
282.05142	0.7
294.05359	1.8
296.06714	0.7
297.07712	1.5
309.07635	2.0
310.07938	0.6
312.06512	0.6
324.10004	1.5
327.08731	1.4
327.12311	0.6
329.10263	2.1
341.10187	0.7
342.07263	0.8
342.11139	7.0
343.11700	1.4
353.08624	0.6
357.09653	13.2
357.13461	33.7
358.09940	0.8
358.13867	1.8
369.13455	2.0
371.11066	0.6
371.15128	2.2
372.12061	13.6
373.12628	2.0
387.14474	100.0
388.14725	6.0
401.15997	1.6
417.15601	1.6
512.09625	0.6
567.22260	9.8
568.22626	1.0
579.21979	1.7
597.23395	39.1
598.23590	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	801.299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	37.3
61.50843	1.7
61.98676	1.8
65.89853	1.9
70.46086	7.0
71.01254	32.2
72.99193	2.7
73.02824	9.2
75.02305	1.8
80.69132	1.9
83.01263	7.3
85.02845	9.6
87.00757	4.9
89.02294	13.2
93.03352	3.1
95.01260	2.1
96.95879	9.4
101.02332	13.7
103.04259	1.7
106.06507	3.8
108.04426	4.9
113.02333	13.0
116.04956	7.9
118.02864	2.2
119.03397	4.6
120.04420	1.9
122.06026	9.1
125.02349	2.5
130.02888	7.5
132.04465	7.4
134.06012	46.2
134.07002	3.2
135.04407	2.3
135.06342	1.9
136.07587	3.7
146.02373	4.3
146.05975	4.2
147.04382	2.1
148.03938	7.1
149.05972	2.7
150.05495	4.8
152.07086	4.9
158.02382	19.5
160.03951	39.5
161.04454	1.9
161.07155	2.2
162.05533	4.2
164.07141	3.9
172.03769	2.0
172.79121	1.8
173.04424	3.1
174.05528	2.4
176.03427	7.6
184.03871	2.2
184.07697	1.7
186.09302	2.5
189.06670	2.0
190.05020	54.8
191.03407	2.0
191.05502	8.9
192.06581	25.7
193.07111	2.0
198.05594	2.2
198.09209	3.5
204.06630	3.5
209.08167	4.0
212.05911	2.6
212.10776	2.3
214.07283	2.1
214.12411	3.8
218.08308	1.9
221.10693	1.8
225.06746	5.1
226.07376	3.9
227.08260	7.8
229.09773	43.3
232.20547	2.0
237.10269	2.9
238.08710	2.0
239.08192	5.9
240.10201	3.1
241.09801	32.8
242.10493	5.7
243.11189	1.9
249.10323	3.6
253.09622	2.2
255.11392	6.8
257.12918	26.8
261.10504	3.4
262.07214	2.3
263.08224	3.5
265.09650	2.0
266.06903	2.3
267.07919	2.4
268.08603	2.9
277.06235	5.1
277.09775	11.1
277.12527	2.0
279.08008	2.3
279.11313	4.3
281.09265	21.3
283.10892	48.8
284.11212	4.2
293.09283	2.4
298.04648	1.8
301.11966	6.0
305.09326	23.3
307.10876	8.2
309.08832	7.4
309.12241	3.9
313.12305	3.1
314.12393	2.5
321.08768	2.9
323.10419	2.9
325.11783	2.7
336.85712	1.8
337.11929	29.6
338.12448	3.9
339.13474	9.2
343.12921	11.2
355.12900	2.1
373.14154	4.1
398.61780	1.8
403.15155	16.0
463.17603	3.7
485.15680	11.7
487.17236	9.6
499.17255	3.1
517.18359	16.7
519.19751	19.5
520.20038	2.2
568.22968	8.1
571.19244	6.0
573.21259	2.4
721.40491	2.2
725.28290	8.1
726.27722	5.5
741.44019	2.0
769.27197	100.0
770.27454	15.9
795.82031	2.0
801.29797	53.7
802.30426	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	799.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	0.3
59.01250	17.9
62.42284	0.3
69.03367	0.3
70.32592	1.0
71.01251	2.7
73.02825	0.6
83.01270	0.3
83.04899	0.3
85.02836	0.7
87.00760	0.7
89.02320	1.8
93.04893	0.3
101.02306	2.3
101.93590	0.3
104.49899	0.3
113.02306	0.9
115.47091	0.3
119.60889	0.3
123.64950	0.3
145.04994	0.4
161.04437	1.2
165.12709	0.3
167.14296	0.5
179.05539	0.4
183.13805	5.3
184.14290	0.3
193.12256	1.6
211.13329	100.0
212.13687	5.3
232.88837	0.4
235.08203	3.8
253.09276	7.8
254.09676	0.5
275.20187	0.4
277.21707	80.5
278.08533	0.3
278.22061	6.7
429.21255	1.9
447.22379	7.1
447.28406	0.3
448.22800	0.8
457.48462	0.3
488.86923	0.3
513.31183	1.7
685.79718	0.3
707.43903	0.8
764.21973	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.5335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.8
71.01259	1.2
73.02821	0.4
77.03839	0.2
81.03320	0.4
83.02388	0.3
83.04899	1.6
85.02826	0.7
87.00771	0.3
88.00256	0.1
88.98674	1.0
89.02321	0.5
93.03341	0.8
95.20390	0.1
96.95917	0.2
99.34521	0.1
101.02341	0.6
109.02852	0.2
113.02334	0.3
117.92765	0.3
119.03378	0.3
120.05559	0.3
121.02847	100.0
122.02364	0.4
122.03145	3.0
133.02859	0.7
134.03616	0.2
135.04402	0.4
149.04436	0.2
153.01788	0.2
161.02394	0.2
161.04497	0.2
173.04471	0.5
177.01950	0.2
179.03391	0.3
191.05528	2.1
225.16096	1.1
230.50836	0.2
241.18488	0.2
299.05698	0.4
327.16064	0.2
371.24649	0.2
389.25540	0.6
451.33105	0.5
510.81305	0.2
551.30554	1.8
552.31219	0.4
593.31592	0.3
607.24048	0.3
677.49658	16.3
678.49933	3.3
799.53625	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.3
59.01248	49.7
60.01574	1.1
65.50060	0.8
68.99695	1.0
69.03307	1.5
71.01250	37.9
71.53374	0.9
71.58196	0.8
71.58637	1.5
71.59007	1.0
71.59637	0.9
72.99167	2.5
73.02823	8.8
73.18436	0.9
76.53751	0.9
83.01258	7.6
85.02820	16.3
87.00742	3.6
89.02314	15.6
95.01237	5.3
96.95900	2.2
97.02806	2.8
99.00759	4.9
101.01689	2.1
101.02321	26.2
101.31625	1.2
113.02338	15.9
117.03368	1.2
119.03419	4.8
119.04911	3.1
120.21658	0.9
125.02336	3.6
127.03893	1.1
131.03363	1.7
137.02319	1.2
143.03397	2.0
143.04854	2.4
145.06473	4.0
145.80099	0.9
146.06911	1.1
147.04442	6.4
149.05954	3.9
161.04442	4.1
161.05988	4.0
189.05466	3.1
193.23912	1.1
205.04906	3.6
209.08160	6.8
210.08537	1.4
312.10495	1.0
383.29532	1.8
399.28796	1.5
429.29962	5.7
431.31714	54.9
432.32056	6.4
445.26358	1.1
504.26349	1.2
505.27969	1.7
524.45911	1.1
571.20374	1.5
575.35828	9.4
593.36664	9.0
594.36871	1.4
607.30823	2.4
635.37988	4.3
755.42218	5.5
797.43213	100.0
798.43542	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	2.3
58.00465	2.2
59.01248	100.0
61.98703	2.8
71.01253	46.4
71.58430	2.1
72.99191	2.1
73.02814	17.5
81.51289	1.5
83.01250	6.7
85.02827	18.3
87.00742	3.3
89.02324	20.0
95.01277	2.2
96.95871	6.5
97.02841	1.7
99.00735	2.2
101.02328	28.6
111.00732	1.9
113.02320	33.6
119.03403	10.9
125.02304	4.1
131.03365	1.7
133.02911	1.6
135.04329	1.8
143.03358	4.8
147.04422	9.8
149.04419	3.0
149.05960	4.8
151.00995	1.6
159.32242	1.5
160.82764	1.6
161.04460	9.8
179.05476	5.6
191.05557	3.3
209.08139	5.7
210.08269	1.9
221.06483	2.0
231.13823	1.9
267.28464	1.9
337.20297	1.8
561.54163	1.7
591.31781	5.8
609.32642	21.1
610.33533	3.5
627.34027	7.5
669.34521	4.8
670.34882	2.2
755.38544	1.7
781.36938	9.4
822.75208	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	797.323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.3
58.00469	0.8
58.56788	0.8
59.01249	100.0
60.01590	1.2
69.03320	1.4
71.01250	44.1
71.58632	1.3
72.99174	2.8
73.02814	14.3
78.95785	1.7
83.01260	3.9
85.02320	0.7
85.02815	15.1
87.00730	4.9
88.98682	1.5
89.02309	19.6
89.02827	1.4
93.03376	0.9
95.01273	4.6
96.95898	3.0
97.02825	2.1
97.03419	0.8
99.00736	2.1
101.02319	25.2
113.02328	35.5
116.92837	0.9
119.03382	8.7
124.01515	2.1
125.02336	4.4
131.03410	1.0
133.99384	0.8
135.04459	0.9
137.02333	1.0
143.03407	5.5
147.04401	3.1
149.04475	1.9
149.05928	0.8
161.04449	8.9
161.05719	1.4
179.05493	5.1
191.05479	1.4
209.08183	1.2
221.06407	1.1
223.93698	0.7
270.26758	0.8
283.20572	1.2
310.48996	0.9
445.25995	5.6
463.27045	3.6
505.28036	4.1
506.28543	1.0
533.89948	0.9
571.29108	1.2
589.29993	5.3
607.31189	27.2
608.31793	2.8
625.32263	8.6
626.32605	1.7
649.32318	2.0
667.33295	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	795.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01587	0.6
61.98679	0.5
71.01250	2.4
71.07396	0.4
71.58006	0.6
80.22269	0.4
86.23618	0.4
87.00754	0.5
89.02331	1.0
97.02842	1.0
100.81185	0.4
101.02326	2.0
113.02317	1.0
119.03439	0.7
125.02319	1.0
141.01593	59.6
142.01944	1.0
143.03381	0.5
155.50630	0.5
205.64542	0.5
235.08170	1.0
243.04893	0.5
255.23274	4.9
256.23807	0.5
277.21704	0.5
305.08823	0.5
332.53094	0.5
337.23596	4.9
397.13467	9.7
398.13647	0.6
401.40231	0.5
415.14542	2.5
419.11606	2.6
437.12637	3.8
443.11053	0.5
457.93930	0.5
469.06598	0.7
653.37280	1.0
654.37811	0.6
675.35864	2.3
701.76929	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
71.14101	49.6
78.95756	25.3
80.96404	35.4
149.26106	24.0
209.11761	100.0
227.12860	23.1
228.03751	23.6
235.09546	43.1
277.21756	71.1
366.63461	23.6
375.43912	22.7
791.43378	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.4
59.01244	1.4
61.98689	0.3
62.42635	0.1
70.92013	0.3
70.92357	0.2
71.01254	0.5
71.04897	0.2
72.99179	0.3
73.02812	4.5
74.02322	0.3
75.00746	2.7
87.00758	0.3
89.02315	0.4
91.92002	0.2
92.92776	0.9
93.03372	0.2
96.45041	0.1
99.00259	0.1
99.00754	4.3
99.92455	10.5
100.01162	0.2
100.92469	0.4
101.02364	0.2
108.92277	0.4
114.93304	0.5
115.03912	0.2
116.03440	1.2
116.92742	100.0
116.97121	4.1
117.01824	9.9
117.02785	0.2
117.03029	0.2
117.05474	1.4
117.91895	0.3
117.92748	5.9
118.02221	0.2
143.14351	0.2
177.28845	0.1
235.08209	0.2
277.21805	1.0
311.01041	0.2
335.17670	0.3
347.42725	0.2
397.13373	1.0
398.13651	0.3
415.03882	0.2
415.14627	0.3
455.04843	1.0
473.06256	0.2
733.27417	0.3
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
58.00445	3.1
58.44681	2.8
59.01250	24.9
62.67566	2.6
71.01254	26.8
71.16171	6.3
71.16498	2.9
72.01189	2.8
73.02802	4.4
73.11852	2.6
85.02817	3.6
89.02303	7.4
96.95860	4.5
99.00752	5.9
101.02312	5.0
109.06492	9.1
125.09616	5.8
127.11172	3.5
152.99493	3.5
155.10727	3.2
163.11214	6.9
171.10147	35.6
181.12218	3.7
183.01155	6.1
190.57114	3.3
199.09697	52.0
199.13358	8.5
201.09497	5.8
201.11241	62.9
207.10219	32.7
221.44096	2.8
223.09680	3.7
225.11220	36.5
235.08214	4.6
243.12370	6.4
253.09291	21.9
263.82440	3.0
277.21707	100.0
278.22037	8.7
311.16931	6.8
416.26550	4.0
435.18604	11.3
440.05148	2.9
441.29785	3.5
461.20123	9.7
540.84460	3.3
695.40350	8.8
700.59637	3.9
721.41644	6.7
739.42389	9.2
757.44519	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	789.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57797	0.3
59.01247	49.3
60.01599	0.6
61.98707	0.4
65.46037	0.3
70.02190	1.1
70.02603	0.8
70.06447	0.4
71.01263	0.6
73.02819	0.4
78.95761	1.7
79.95615	1.0
85.02829	3.8
93.03330	0.6
96.95885	36.2
96.96777	1.7
98.19820	0.6
106.04134	1.2
107.04920	0.9
108.02053	0.7
119.04916	0.9
121.02814	1.9
123.04362	0.4
135.04433	0.9
145.06526	0.8
147.04413	0.7
147.08102	2.1
149.05978	47.5
150.03114	1.3
150.06296	1.8
150.70657	0.4
151.03902	0.6
161.02341	0.6
161.05992	1.2
162.03136	7.7
163.03850	1.1
163.07553	0.5
165.05453	4.3
166.05836	1.2
177.05489	6.0
178.05911	0.4
179.03555	0.4
191.07043	6.1
194.05728	0.5
195.06580	1.0
205.08617	1.2
207.06378	0.5
208.07343	1.3
209.08124	100.0
210.08484	5.3
223.09720	5.8
225.07648	5.2
226.07947	2.5
227.08191	0.9
232.32269	0.4
237.07637	2.5
307.06094	0.5
337.10867	2.9
355.11862	0.4
357.13379	0.8
387.14722	0.5
391.74924	0.4
397.13434	0.8
447.16629	0.4
453.09335	0.9
453.36386	0.4
518.92383	0.4
543.20221	0.8
548.20740	0.4
549.21545	0.7
561.21338	0.6
579.22137	1.1
579.86023	0.4
597.23126	0.8
639.23871	0.6
770.18298	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48372	0.3
59.01249	48.4
60.01583	0.4
61.98682	0.2
62.08096	0.2
71.01242	0.4
71.38124	0.5
85.02824	3.9
88.95175	0.3
93.03334	0.7
93.90401	0.2
96.95884	2.1
97.02916	0.3
106.04108	1.3
107.04894	1.2
108.02046	0.4
119.04886	1.0
121.02845	0.3
138.03099	0.6
145.06497	0.7
146.09915	0.3
147.04399	0.4
147.08084	2.4
149.02301	0.8
149.05978	46.7
150.06348	1.6
151.03813	0.3
153.05461	0.3
161.02304	0.4
162.02991	0.4
163.03886	0.4
163.07474	0.4
165.01865	2.0
165.05508	0.4
166.02597	0.8
175.03935	1.1
177.01845	6.1
178.02589	1.0
179.03387	0.8
179.07045	0.8
180.04248	1.6
180.57828	0.3
181.04961	0.6
191.05507	0.7
191.07059	5.5
192.04221	4.7
193.04907	1.1
195.06465	1.6
205.08618	0.8
207.06573	4.3
208.07286	0.6
209.08125	100.0
210.08466	3.4
211.13257	0.5
223.09692	9.6
224.09978	0.4
225.07602	0.7
267.08691	2.2
300.31369	0.3
309.20706	0.5
310.28308	0.3
379.32281	0.3
387.14215	0.7
399.14392	0.5
425.16049	0.8
429.15662	0.3
447.16006	0.4
531.20447	0.5
541.34894	0.4
543.20502	0.7
549.21381	3.1
550.21881	0.6
561.21442	3.0
562.21411	0.5
579.22015	0.7
596.60962	0.3
597.22931	0.7
639.24628	0.5
658.63593	0.3
745.13373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02608	0.5
59.01252	38.5
69.80083	0.6
70.13760	1.8
71.01258	1.3
85.02816	7.2
93.03365	1.1
96.95888	2.9
97.02822	0.6
98.19830	0.8
101.02306	0.7
106.04118	0.7
107.04890	0.8
108.02038	2.6
113.73407	0.6
119.04885	1.4
121.02852	0.8
123.00768	1.0
123.04429	1.7
130.54100	0.6
135.04422	0.7
136.01558	5.7
137.02354	1.0
138.03116	1.3
145.02812	1.0
145.06487	1.4
147.04417	0.8
147.08058	1.8
148.92381	0.5
149.02284	1.4
149.05986	46.5
150.03133	2.1
150.06311	1.7
151.00282	2.1
151.03882	4.9
158.56509	0.5
158.57985	0.5
159.04405	1.1
161.02356	0.9
161.04575	0.6
161.05997	1.0
162.03127	0.9
163.03914	1.0
164.04749	1.2
165.01808	0.9
165.05464	2.6
166.02638	5.1
173.05899	1.3
175.03879	0.9
177.05539	1.0
179.03421	1.5
179.07045	0.8
180.04211	0.8
181.04942	4.1
187.03946	2.4
188.04736	4.8
189.05417	0.7
191.05518	1.1
191.07063	8.5
194.05753	1.0
195.06560	1.0
201.05502	0.6
203.03407	2.3
203.07045	6.5
206.05672	0.7
209.08125	100.0
210.08496	4.6
211.13167	0.8
217.04906	0.6
218.05742	2.0
225.07643	0.7
233.08125	4.9
257.04526	5.8
259.06183	0.7
272.06912	7.3
273.07498	1.0
287.09219	12.3
288.09589	0.7
300.10263	0.6
301.07437	0.9
303.20239	0.6
309.07635	0.8
326.61697	0.6
339.08649	0.8
339.12244	0.7
354.11267	0.9
355.11908	2.9
356.34506	0.5
357.13385	2.5
369.09128	1.0
369.13437	11.7
387.14520	1.1
417.15387	1.2
429.15552	5.3
447.16684	1.5
489.17624	17.6
490.18219	1.6
497.28311	0.8
541.33887	0.8
561.21368	4.7
573.26807	0.7
579.22107	3.6
597.23883	0.8
621.23584	3.7
622.23669	1.0
639.24677	2.1
745.37769	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29194	0.8
59.01249	65.2
61.98699	1.2
67.01738	1.0
70.45774	2.2
70.46168	1.9
71.01258	3.6
73.02839	1.1
81.03355	0.9
85.02820	14.9
87.00757	0.9
93.03337	2.6
96.95884	4.4
97.02855	1.0
99.74258	0.8
100.64969	0.9
101.02318	0.9
105.35197	0.8
106.04136	1.2
107.04908	1.2
108.02054	3.4
113.02325	1.4
119.04896	1.8
121.02844	2.9
123.00812	1.0
123.04417	2.3
134.03630	1.0
135.04405	1.3
136.01556	14.4
137.02283	1.9
138.03140	1.9
139.03893	1.4
145.02832	1.1
145.06482	2.6
146.03551	0.9
147.04416	2.9
147.08083	2.5
149.02347	3.7
149.05983	62.7
150.03143	4.7
150.06313	2.0
151.00261	6.2
151.03922	15.4
152.01028	1.5
153.05516	1.6
159.04358	1.6
159.58426	1.0
160.05186	1.3
161.02242	1.3
161.06000	2.1
163.03905	2.0
164.04663	3.3
165.01820	3.4
165.05496	6.7
166.02609	12.9
167.03317	1.6
169.56664	0.9
171.04373	1.2
173.04565	0.9
173.05952	2.2
175.03908	2.8
176.04692	1.8
177.01923	1.3
177.05502	2.2
178.02603	1.4
179.03395	4.6
180.04202	2.9
181.04971	12.9
184.10030	0.9
187.03952	4.6
188.04672	8.8
189.05432	1.2
191.03548	1.3
191.05527	1.6
191.07071	18.1
192.04237	1.5
194.05789	3.5
195.06525	5.3
199.03893	0.8
201.05457	1.5
203.03442	6.3
203.07069	12.4
205.08624	1.4
207.06506	1.5
209.08128	100.0
210.08379	5.7
218.05746	5.1
224.63713	0.9
225.07649	2.6
232.07584	1.0
233.08147	10.0
242.02275	1.0
257.04541	5.0
258.11121	0.9
263.09283	2.5
272.06851	7.7
273.07535	1.6
283.05994	1.1
287.09262	17.5
293.07983	2.1
298.08389	1.7
299.08957	1.2
300.09900	1.4
308.10522	2.2
309.07672	2.0
313.10721	1.5
324.10013	2.9
325.10562	1.3
327.12558	1.1
339.08679	2.3
339.12341	2.4
342.11053	1.6
354.11102	1.4
355.11893	4.5
357.13388	7.2
369.13422	22.5
370.13788	1.8
379.28427	2.8
387.14401	2.6
417.15594	3.4
425.91525	1.1
429.15549	13.5
447.16559	3.8
475.16196	2.9
489.17639	54.8
490.18121	4.4
515.19312	2.4
523.33307	1.1
541.33746	4.0
549.21448	1.5
561.21600	5.9
579.22266	10.5
580.22186	1.1
583.35089	1.8
597.23517	2.1
621.23340	12.7
622.24011	1.3
639.24445	7.7
703.39111	1.8
734.07251	1.1
745.40143	2.5
753.29169	2.1
771.29755	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	10.2
61.98701	24.4
62.96349	5.6
68.99437	56.9
69.03301	13.0
70.81590	7.5
70.81927	13.3
71.01257	39.3
72.99193	7.5
78.95783	8.2
85.84456	6.0
87.92404	8.4
88.98714	5.7
103.91911	64.5
104.92688	60.7
106.94276	7.0
111.00762	9.7
112.89525	10.5
112.98450	80.7
112.99766	13.5
113.02318	50.8
114.94778	45.4
115.48017	5.2
119.42178	6.2
123.94494	11.5
130.94244	15.5
140.96335	10.9
142.94247	14.4
156.93855	5.9
156.95816	10.7
158.93787	19.4
170.97386	7.2
171.94626	13.1
172.95364	28.4
184.95387	29.2
198.96988	10.8
199.94055	7.9
200.95006	7.4
277.21631	12.4
307.01105	7.8
315.44199	5.6
336.98611	15.8
409.00693	40.6
451.05612	25.2
469.06366	48.1
483.04517	80.0
484.04578	8.1
501.05377	14.0
681.81250	7.2
729.27820	100.0
730.28314	15.3
789.30603	10.7
789.43292	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	787.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.5
58.00475	0.6
59.01249	100.0
60.01595	0.7
68.64115	0.5
71.01250	14.0
72.99190	0.8
73.02815	8.8
73.31809	0.5
75.00765	0.6
77.52035	0.5
81.03381	0.5
83.01259	3.7
85.02825	4.5
87.00767	1.2
89.02317	4.8
93.03356	2.2
96.95914	1.4
101.02327	11.4
104.90739	0.5
109.02823	0.6
113.02324	6.5
119.03411	2.0
119.04904	1.3
119.11839	0.6
125.02354	1.0
127.03899	0.5
128.03490	0.6
131.03412	1.1
133.02843	0.7
134.03694	0.6
135.04445	1.3
137.02365	0.6
143.03444	1.0
145.06482	1.9
147.04388	3.4
149.02386	0.8
149.04489	2.0
150.03127	1.0
151.03891	0.8
161.04459	4.0
163.03944	1.1
165.05524	0.7
173.04414	2.4
178.02638	0.6
179.03384	0.9
179.05544	1.1
191.05531	14.4
192.05913	0.7
195.06662	1.0
221.06560	0.7
222.58609	0.5
253.08972	0.6
313.16644	1.2
331.17752	2.0
337.41702	0.6
353.08899	0.5
373.18655	4.8
388.78806	0.5
410.44308	0.6
439.14297	1.1
787.23633	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.2
60.56620	1.8
60.98308	2.0
61.98704	3.2
63.49336	1.5
68.99441	96.2
69.03326	14.6
71.01249	26.8
72.99189	5.5
74.95250	7.5
83.01247	4.1
83.08534	1.5
87.00776	3.2
87.92399	12.9
87.95003	1.7
88.93183	3.7
90.94760	3.7
95.95116	3.3
96.00790	4.9
99.00767	5.8
101.02340	2.0
102.92239	1.9
103.91904	56.9
104.92683	50.8
105.93456	3.2
106.94257	8.6
111.00777	6.2
112.00314	2.6
112.95398	2.6
112.98447	100.0
112.99709	16.3
113.02328	51.7
113.03439	3.7
114.01857	3.2
114.94760	38.7
115.00240	2.0
118.94248	2.8
123.94552	9.2
130.94252	17.1
132.92230	2.2
132.95840	2.7
140.96344	8.1
142.94260	13.1
144.95848	6.1
147.94528	3.0
154.94290	1.8
156.95851	7.5
158.93764	17.3
168.95827	3.9
170.97440	5.1
171.94539	9.0
172.95340	24.3
175.94019	2.9
182.97481	2.4
184.95378	23.0
186.97107	2.0
198.96962	8.2
199.94092	3.9
200.94887	11.9
200.98482	1.9
212.94879	4.2
213.63000	1.8
214.96417	3.6
216.97908	2.0
217.92451	1.9
226.96489	3.7
232.97499	7.3
238.96516	2.8
248.96967	2.2
254.78131	2.0
258.99161	4.4
274.98444	2.8
277.21771	8.7
289.00229	2.4
291.01660	2.6
304.99640	4.9
306.97821	3.1
307.01196	9.4
320.99136	2.6
335.00381	2.5
336.98621	10.0
337.05154	1.8
339.00327	2.0
375.43146	1.8
377.01782	5.0
394.02084	3.7
397.13351	3.3
409.00601	30.6
451.05460	18.8
469.06454	42.8
470.06915	5.0
475.92816	2.1
482.05341	2.5
483.04428	79.4
484.04697	6.3
501.05521	12.8
640.89832	1.9
729.27850	78.2
730.28070	14.8
761.26898	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	787.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	55.9
61.98687	1.1
71.01271	1.1
85.02819	1.9
85.77589	1.1
96.95883	4.7
106.04146	1.6
119.04925	1.7
122.05840	1.1
135.04373	1.4
147.04439	1.4
147.08046	3.1
149.05981	60.7
150.06335	2.4
161.02382	5.6
162.03105	3.4
165.05469	1.4
176.04694	3.8
177.05533	8.4
191.05496	1.9
191.07014	5.3
209.08128	100.0
210.08493	4.0
223.09712	6.2
225.07680	1.8
304.57788	1.3
367.11893	1.3
372.64124	1.3
385.13126	1.7
427.14133	4.9
519.75677	1.5
559.19965	2.7
577.20685	22.8
578.20886	2.9
700.29047	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92655	0.4
57.01651	0.3
59.01246	45.0
59.03640	0.4
70.85937	0.6
84.04887	0.3
85.02806	0.6
96.95892	1.5
106.04124	1.7
107.04899	1.2
108.02047	0.5
119.04906	0.6
121.02821	0.3
131.21103	0.4
143.04901	0.4
145.73224	0.4
147.04361	0.5
147.08002	2.2
149.05975	58.1
150.06369	2.1
161.02318	3.0
162.03105	2.2
163.03864	0.3
163.07495	0.6
165.05339	0.6
172.64444	0.4
175.03838	0.6
176.04716	1.9
177.01820	0.5
177.05467	6.6
191.05537	0.5
191.06956	1.8
193.04956	0.4
209.08119	100.0
210.08432	4.6
223.09685	5.8
224.12338	0.3
225.07634	1.1
237.10402	0.3
353.10239	2.4
367.11658	0.6
385.12943	2.0
427.13654	0.6
435.37979	0.3
559.19769	0.8
560.19733	0.4
577.20746	19.9
578.20978	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	787.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.5
71.01254	0.8
71.12852	0.3
73.02819	0.3
85.02815	0.5
93.03342	1.1
94.84102	0.2
95.85797	0.3
101.81082	0.3
103.79247	0.2
109.02831	0.4
113.02311	0.3
121.02843	4.0
134.03667	0.4
135.04388	2.9
136.01544	0.3
137.02327	1.1
138.05466	0.3
141.60930	0.2
147.04395	0.2
149.02342	31.7
150.02740	0.7
151.03886	0.5
152.01051	8.2
153.01363	0.3
155.44748	0.2
163.03928	6.1
164.04695	27.4
165.01814	1.0
165.05057	0.8
167.03395	1.3
169.04977	3.8
177.05516	0.3
179.03450	0.3
179.07042	10.5
180.04291	0.4
180.07359	0.6
191.05537	1.0
193.01346	15.9
194.01678	0.8
207.03018	0.3
208.03703	45.7
209.04124	1.8
223.06059	100.0
224.06407	3.8
233.04518	0.4
264.78198	0.3
265.07349	0.3
302.55777	0.2
342.11740	0.3
353.08545	0.3
385.11386	20.5
386.11621	1.1
401.14499	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	6.3
60.45160	1.5
61.98705	13.5
71.01251	4.0
71.29464	2.8
74.14416	1.5
87.00739	1.7
89.02309	2.7
101.02287	2.3
147.81413	2.0
183.13866	2.2
185.11757	31.9
209.11792	3.4
211.13338	42.9
212.13770	3.4
227.12994	2.1
228.21600	1.9
235.08224	3.3
238.96967	1.5
253.09285	7.0
277.21716	100.0
278.22052	8.4
279.23132	2.2
317.51907	1.7
339.34537	1.6
429.21121	1.8
513.30829	2.1
766.30658	2.3
817.03186	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	785.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76835	1.4
59.01250	7.6
60.34354	1.4
61.98692	4.6
71.01252	3.0
72.84985	1.6
79.92919	1.3
89.02338	3.5
98.20536	5.2
101.02338	2.7
113.02342	2.9
183.13841	5.4
185.11758	66.7
186.12103	2.6
193.12225	1.6
197.11845	1.7
209.11755	4.1
211.13342	100.0
212.13690	5.8
220.78220	1.6
229.67851	2.2
235.08275	1.7
253.09227	9.2
256.85730	1.7
277.21710	90.7
278.22180	8.5
279.22549	1.5
296.79584	1.6
410.44308	1.8
421.20682	2.4
447.22369	10.0
498.24899	2.1
598.51593	1.8
785.42926	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	785.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00019	1.7
57.03319	2.1
58.00456	2.9
59.01247	32.7
69.03313	2.8
71.01250	29.2
71.58071	1.6
73.02809	4.3
73.04786	1.6
83.01238	3.6
83.04890	3.0
85.02839	8.7
87.00747	10.2
89.02315	25.5
93.03326	2.6
97.02824	3.3
101.02330	14.1
111.08015	2.9
113.02314	10.7
119.03394	3.9
125.02319	5.0
131.03363	3.4
135.04378	1.7
137.32433	1.9
161.04449	4.8
173.04538	2.7
179.05487	9.9
179.83377	1.7
191.05458	9.7
192.03755	1.8
211.13350	2.5
213.14926	2.0
217.00246	1.9
221.06534	3.0
231.17589	1.9
235.08185	2.1
253.09355	2.1
315.26804	3.8
325.25330	8.3
333.27869	2.0
341.24820	2.4
343.26407	6.7
351.23224	2.3
353.08966	1.7
359.25836	7.1
361.27524	2.6
369.24255	11.8
387.25482	22.0
397.13455	15.3
405.26389	38.0
406.26468	2.2
510.29422	2.0
785.39600	100.0
786.39655	16.5
818.60931	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	785.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.3
58.00496	1.7
59.01249	38.5
61.98687	1.3
67.08234	1.4
69.03336	1.7
71.00889	2.4
71.01253	33.6
71.58144	1.7
72.99162	1.8
73.02818	4.8
75.00740	1.7
75.61069	1.3
81.03335	2.2
83.01237	2.9
83.04900	2.7
85.02818	8.6
87.00756	8.4
88.98677	1.8
89.02317	26.8
93.03342	1.9
95.01254	2.7
96.95892	2.5
97.02811	3.7
97.06468	1.7
101.02317	21.4
108.45026	1.3
111.08017	2.0
113.02325	12.5
116.06387	1.8
119.03374	4.5
121.90649	1.3
125.02323	7.7
135.08032	2.3
137.09607	1.7
143.03445	1.6
161.04413	4.4
177.31512	1.3
179.03412	1.4
179.04166	1.3
179.05515	10.4
191.05540	8.3
203.14206	1.6
213.14980	1.7
221.06618	3.6
235.08238	2.4
239.16481	2.0
241.17996	2.8
271.11899	1.4
275.16510	2.7
315.27084	3.3
325.25311	6.2
341.24774	3.5
343.26434	5.9
351.23389	1.7
352.27829	1.2
359.25861	8.6
361.27313	4.0
369.24356	8.5
370.24893	1.5
377.27008	3.2
387.25436	18.1
388.25671	3.3
397.13522	14.4
405.26422	39.7
406.26868	3.2
510.26816	1.7
654.97717	1.4
785.39563	100.0
786.39899	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	785.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.6
57.03326	1.2
58.00451	0.9
58.36603	0.2
59.01248	13.0
60.01570	0.2
69.03318	0.5
69.68626	1.6
71.01253	9.3
72.99183	0.6
73.02809	2.1
75.00750	0.3
83.01253	1.5
83.04899	0.2
85.02820	3.1
85.58543	0.2
87.00740	1.2
87.04384	0.4
89.01756	0.3
89.02309	4.6
93.03299	0.4
95.01233	0.6
96.95865	0.3
97.02836	0.4
99.00762	1.0
101.02320	5.8
113.02325	3.2
116.47766	0.2
119.03403	1.3
120.01056	0.2
123.07992	0.5
125.02313	0.6
131.03378	0.6
135.04425	0.5
137.02356	0.3
137.09561	0.2
139.11166	0.5
141.12766	0.3
143.03400	0.2
147.04375	0.2
148.41014	0.2
148.91528	0.2
149.04474	0.3
153.09042	0.2
155.03421	0.2
157.12282	1.1
161.04445	1.0
165.05434	0.6
169.12259	0.4
173.04408	0.5
175.03922	0.2
179.03427	0.3
179.05522	0.6
185.11751	0.7
191.05553	1.1
215.12863	0.6
221.06679	1.4
237.95879	0.2
239.83809	0.2
263.07745	0.4
269.08255	0.3
325.10956	0.3
329.23428	1.4
339.25461	0.6
357.26410	5.6
358.26813	0.6
373.25827	1.1
375.27484	20.1
376.27890	1.8
389.29016	0.5
417.28589	0.8
433.21722	0.2
519.31732	10.4
520.32245	1.3
535.31567	0.7
536.31641	1.1
537.32745	100.0
538.33099	11.8
579.33734	2.1
623.22144	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2149
Annotation	Isorhamnetin 3-galactosyl-(1->4)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
59.01228	1.1
59.51001	0.7
68.76114	0.8
69.10061	0.8
71.15120	1.5
83.48679	0.7
96.95898	1.1
107.01279	1.4
135.04431	0.9
149.04509	0.9
151.00255	4.1
162.47462	0.8
164.00996	1.1
169.01311	0.9
173.04407	1.2
191.05508	2.8
214.02585	1.1
227.03419	2.5
241.01288	1.4
242.02118	5.9
243.02974	8.9
244.03412	0.9
245.00894	2.3
255.03006	4.7
257.04544	1.7
270.01678	13.1
271.02448	15.4
272.02893	2.4
285.04053	5.8
298.01132	2.5
299.02011	13.0
299.05396	1.4
300.02719	26.8
301.03159	0.9
313.03503	26.6
314.04276	18.5
315.05075	66.6
316.05402	3.9
357.06018	1.3
435.33084	0.9
476.09592	1.2
477.10150	3.2
623.16113	100.0
624.16345	14.3
785.20386	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.2
56.94142	1.0
59.01250	25.4
71.01256	23.6
71.58704	1.3
72.99173	1.2
73.02811	7.3
78.95778	1.6
80.04912	2.5
83.01259	3.3
83.61277	1.2
85.02829	7.7
87.00775	2.3
89.02322	6.3
95.01256	1.7
96.95881	6.4
99.00750	2.6
101.02310	7.8
104.04925	1.9
104.93632	1.3
106.06498	6.8
108.04489	1.4
113.02331	5.9
119.03382	1.9
122.05994	5.2
132.04437	4.3
134.06009	43.3
135.04303	1.4
135.06273	2.2
150.05542	1.4
152.07045	5.5
152.99367	1.1
158.02388	2.5
160.03952	3.2
161.04417	2.0
161.06024	1.3
190.04996	5.3
191.05504	2.3
192.06560	2.8
209.08170	1.6
213.10225	11.5
225.10178	3.0
225.73976	1.1
227.11821	2.2
235.08618	1.5
237.10275	1.4
239.11774	3.8
241.13405	1.8
249.10501	2.3
263.08258	2.7
265.09808	2.9
267.11331	8.4
275.06689	1.4
277.09802	3.3
279.11362	3.4
285.12357	5.8
296.11334	1.5
305.09274	5.0
307.10730	1.4
309.08560	1.5
313.13559	1.4
316.14551	4.4
327.13580	4.5
328.10709	2.3
328.14377	1.8
337.11935	4.7
338.12845	1.5
340.10870	1.9
340.14545	13.9
342.12234	1.5
354.12323	2.0
356.13950	4.9
357.14600	3.4
358.15588	6.4
368.10239	3.0
368.14261	2.4
370.15771	2.2
372.13364	1.6
382.15671	3.0
383.12744	2.9
384.13300	10.4
384.17603	1.5
394.11365	1.6
396.13531	3.5
397.14069	2.8
398.15155	9.7
400.16895	2.0
403.22919	1.3
410.15088	6.3
412.16745	6.5
426.14636	3.1
438.14407	2.6
444.15530	2.5
491.20807	1.9
505.22223	1.4
545.21582	2.4
547.23517	1.5
572.98499	1.4
573.21143	4.9
574.22052	1.4
591.22241	4.1
592.22870	1.6
609.21466	1.3
685.29034	2.9
711.26550	4.3
712.27094	4.1
713.27667	1.9
725.29034	1.7
753.27734	100.0
754.28076	23.2
784.45355	1.9
785.30334	75.2
786.30896	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	785.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.6
59.46685	0.2
61.98694	0.7
65.59269	0.3
65.76093	0.3
70.85754	0.3
70.86119	0.9
77.03851	0.3
108.90057	2.5
120.02067	0.5
121.02836	100.0
122.03181	3.1
123.05053	0.3
130.30179	0.3
136.01535	0.6
165.01820	3.0
180.05870	0.4
181.06531	2.4
181.39870	0.3
191.03485	2.4
191.05017	0.5
193.80026	0.3
209.04494	67.7
210.04829	2.5
211.13315	1.8
225.05505	2.6
226.05763	0.4
267.39456	0.3
277.21698	1.7
278.22021	0.4
313.07178	5.5
314.07346	0.5
317.77676	0.3
357.06281	1.8
385.07971	0.3
401.08728	10.5
402.09097	1.0
549.10754	0.6
575.11713	0.6
582.73102	0.3
741.14661	0.5
785.17169	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.6
57.03314	0.7
58.00452	0.6
59.01250	13.1
64.58085	0.1
69.03323	0.2
69.56914	0.5
69.57336	0.5
71.01251	7.8
71.04888	0.7
72.99191	0.7
73.02819	2.0
78.95777	0.2
81.03284	0.2
83.01250	1.1
85.02823	2.8
87.00760	0.7
87.04373	0.5
89.02314	4.6
92.88435	0.1
93.03360	0.3
95.01251	0.9
96.95901	0.5
97.02820	0.2
97.06434	0.4
98.19765	0.2
99.00764	0.5
101.02322	5.5
101.02998	0.3
111.00759	0.2
113.02330	2.5
119.03393	1.2
120.64275	0.1
121.10112	0.5
123.08074	0.2
124.11794	0.2
125.02334	0.6
125.09620	0.3
131.03348	0.2
135.04379	0.2
139.04237	0.2
139.11192	0.9
141.12688	0.4
143.03362	0.3
149.04474	0.3
157.12222	0.8
161.02383	0.1
161.04457	0.5
165.05481	0.2
169.12239	0.8
171.10114	0.3
173.04449	0.3
175.03767	0.1
179.05571	0.2
180.95059	0.1
185.11729	1.5
191.03430	0.5
191.05544	0.4
197.11739	0.2
210.89046	0.1
213.11272	0.5
215.12833	4.4
216.13249	0.1
224.88135	0.1
229.14418	0.3
243.15987	0.3
267.01697	0.1
307.22867	0.2
313.23703	0.3
325.23846	0.5
337.23718	0.4
341.23383	0.4
343.24887	1.8
353.23505	0.4
355.24860	8.7
356.25140	0.6
371.24551	0.5
372.24786	0.2
373.25922	12.4
374.26370	0.8
391.01712	0.2
443.51559	0.2
476.73154	0.2
517.30145	10.2
518.30341	1.0
532.93152	0.1
533.29694	0.8
534.30121	1.5
535.31183	100.0
536.31543	11.0
577.32227	3.7
578.32446	0.3
588.22607	0.2
619.33350	0.3
711.31183	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.8
58.00459	0.8
59.01252	18.8
61.98693	0.7
62.89185	0.5
69.03319	1.1
69.28721	4.9
71.01251	14.5
71.04897	0.8
72.99174	1.8
73.02818	3.6
78.95770	1.2
83.01254	1.9
83.04865	0.5
84.01650	0.5
85.02827	4.5
87.00756	1.8
89.02321	6.9
93.03341	1.2
95.01261	1.2
96.32451	0.5
96.95874	2.0
96.96900	0.6
99.00735	0.9
101.02315	8.5
113.02319	4.5
117.03391	0.6
119.03371	2.4
121.02769	0.5
123.04375	0.7
123.08055	0.6
125.02322	2.1
125.60724	0.5
127.11122	0.6
131.03413	1.2
133.02893	0.7
134.03458	0.6
135.04405	1.3
137.02383	0.5
139.11192	0.9
143.03351	1.1
145.02875	1.3
147.04396	0.7
149.02278	0.7
149.04437	0.7
150.03070	1.4
161.04506	2.6
161.05713	0.6
163.03789	0.6
165.01781	0.7
165.05438	2.3
167.03426	0.7
169.12289	1.0
171.10161	1.8
173.04457	2.0
179.03433	0.7
179.05518	2.6
180.04288	0.6
185.11774	2.6
191.03413	1.2
191.05515	2.2
193.05092	0.6
194.78973	0.5
195.06514	1.2
199.13297	0.8
207.03015	0.7
215.12743	2.0
221.06555	4.4
223.49924	0.5
263.07693	1.2
285.20685	2.3
292.56790	0.6
306.48685	0.5
313.23825	0.7
325.23849	1.0
337.23871	1.0
343.24927	1.7
355.24850	8.8
356.25238	0.9
361.16534	1.7
373.25903	26.8
374.26166	3.3
415.27243	1.3
445.15149	0.7
517.30103	9.6
518.30908	1.0
533.29590	1.8
534.30170	1.8
535.31183	100.0
536.31580	10.9
559.31091	0.9
577.32275	10.9
578.32794	1.2
579.33826	0.8
739.37988	1.3
761.90100	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	7.9
58.00478	0.5
59.01248	7.8
63.02263	0.7
65.00185	0.5
71.01255	5.1
71.21809	0.4
72.99177	0.6
73.02812	0.9
78.95790	0.4
79.05399	0.3
81.03333	0.9
81.87727	0.3
83.01255	3.8
85.02804	1.4
89.02307	4.2
93.03359	0.8
95.01268	0.5
95.04857	0.3
96.95903	2.3
97.02843	0.4
99.00784	0.3
99.04386	0.4
101.02332	2.5
102.02649	0.2
102.58695	0.2
107.01270	1.0
113.02323	1.6
119.03362	1.6
119.04105	0.3
119.04922	0.5
121.02876	0.4
123.04394	1.4
125.02332	100.0
126.02676	2.7
133.02824	0.4
135.04410	0.8
139.03889	0.5
143.03419	0.6
147.04395	0.5
149.02341	3.9
149.04308	0.3
151.00269	1.1
161.02388	0.6
161.04448	0.8
161.13243	1.1
162.47356	0.3
163.03886	0.5
165.05539	0.6
167.03410	5.6
169.01276	0.4
173.04472	0.9
173.05835	0.3
177.01848	0.5
178.06200	0.3
179.03387	0.5
179.05551	1.7
187.11197	1.4
191.03426	19.4
191.05400	1.1
192.03799	0.9
192.05779	0.3
193.04741	0.4
193.08636	0.6
199.13409	0.3
205.04735	0.3
205.12257	1.5
207.02843	0.4
209.04491	25.9
210.04871	1.1
229.12283	0.5
231.10323	0.4
233.04498	0.8
249.11234	0.6
273.11078	0.4
315.12454	0.4
331.25034	0.4
355.24677	0.6
373.25934	1.0
393.15558	3.0
400.07941	0.3
411.16586	0.3
517.30359	0.8
519.18579	1.1
533.29504	0.3
534.29919	1.0
535.31122	8.5
536.30981	0.4
561.20551	0.4
573.21851	3.3
574.21930	0.3
577.24506	0.5
577.32501	1.4
585.19934	2.0
603.20917	1.5
699.25116	0.8
765.26318	1.9
767.83771	0.3
783.26727	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	783.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	7.9
57.07487	0.2
59.01252	4.7
63.02266	0.4
65.00206	0.5
68.95231	0.2
71.01259	2.6
71.58405	0.3
72.99182	0.3
73.02804	0.3
81.03326	0.7
83.01253	2.8
85.02827	0.8
87.00731	0.3
89.02317	2.0
95.01277	0.3
96.95903	0.6
99.00726	0.2
101.02344	1.7
107.01257	0.8
113.02338	1.1
119.03422	1.1
121.02869	0.3
123.04410	0.9
125.02338	100.0
126.02659	2.2
135.04422	0.3
139.03926	0.4
139.94032	0.2
149.02336	2.7
149.04390	0.4
151.00291	1.3
156.39586	0.2
161.04463	0.2
161.13321	0.6
165.05507	0.2
167.03413	3.8
169.01328	0.7
173.04491	0.5
175.03984	0.2
179.03244	0.3
179.05571	1.2
187.11249	0.7
191.03435	13.3
191.05331	0.7
192.03748	0.5
193.12218	0.2
205.12341	0.6
209.04491	26.3
210.04803	1.1
211.11411	0.3
227.54527	0.2
233.04575	0.6
244.61458	0.2
249.11391	0.7
275.05606	0.5
315.12543	0.6
333.13535	0.3
393.15710	1.6
441.09619	0.2
457.11282	0.2
475.83328	0.2
478.95099	0.3
519.18781	0.9
552.40704	0.2
573.21643	2.0
574.22522	0.4
585.20227	1.3
603.20850	2.0
668.70026	0.2
699.24841	0.5
765.25891	1.7
783.26788	2.3
784.27386	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63670	0.4
55.01739	0.6
59.01250	15.6
67.26366	0.4
68.43170	0.4
69.03342	0.5
70.45555	1.4
71.01250	4.6
71.04877	0.8
73.02814	0.7
80.96374	0.6
81.03329	0.6
83.04912	0.6
85.02824	1.2
87.00751	0.9
87.63316	0.4
89.02319	1.3
97.02824	6.1
97.06479	0.7
99.00756	10.7
100.16740	0.5
101.02343	2.8
104.07491	0.4
109.06461	1.7
110.03602	0.9
113.02311	2.2
119.03410	0.4
123.08023	0.5
125.02316	1.1
125.09618	2.5
127.07524	0.4
135.08093	0.8
136.05177	1.0
140.20934	0.5
142.02626	2.6
143.03456	0.4
161.04454	1.3
163.09987	0.6
163.11223	7.3
179.10649	1.0
179.24474	0.4
181.12276	15.4
182.12566	1.3
197.11758	0.6
199.13414	1.5
207.10204	46.4
208.10562	1.6
225.11278	100.0
226.11623	4.3
235.08156	1.8
235.10489	0.4
239.12856	0.4
243.12350	11.4
253.09171	2.6
277.21719	89.6
278.21994	5.4
299.14963	0.9
317.15994	1.3
345.46747	0.5
443.19205	4.5
461.20294	40.2
462.20462	2.8
564.53540	0.5
721.41602	25.0
722.41901	2.9
781.40027	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40055	0.4
56.62574	0.3
56.74270	0.4
57.03312	0.5
59.01250	12.3
69.03332	0.4
71.01245	3.3
71.04904	0.8
71.57803	0.9
73.02813	0.8
80.96402	0.7
81.03297	0.3
83.01272	0.6
85.02829	1.1
87.00755	1.4
89.02303	1.5
97.02820	3.8
97.06472	0.7
99.00755	5.6
101.02325	3.0
103.12124	0.4
109.06539	0.5
113.02332	1.3
119.03448	0.6
125.02328	0.7
125.09637	1.9
127.07492	0.5
135.08086	0.5
136.05205	0.6
142.02591	1.6
144.09299	0.4
161.04451	0.9
163.11221	4.6
179.05525	0.5
179.10686	0.7
181.12274	8.6
199.13362	0.6
207.10197	26.5
208.10516	1.2
225.11270	54.8
226.11589	2.8
233.22768	0.4
235.08173	3.1
243.12347	8.0
253.09309	3.9
267.12421	0.4
277.21710	100.0
278.22073	6.1
278.24951	0.6
405.17773	0.6
443.19208	4.8
461.20233	5.4
577.37396	0.8
614.68317	0.5
649.99426	0.4
684.40051	0.4
721.41644	18.1
722.42267	3.0
768.31909	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.1
59.60875	0.1
62.25934	0.1
69.38385	0.2
69.38791	0.5
78.95773	3.8
79.95606	2.6
79.96083	0.1
83.02380	0.1
96.00845	0.1
96.95889	100.0
96.96771	4.8
97.95816	0.3
98.02344	0.8
98.03460	0.1
165.01915	0.1
173.04593	0.1
179.03331	0.1
191.05536	0.1
228.73123	0.1
230.09348	0.1
278.84650	0.1
334.05023	0.1
423.10144	0.1
503.50815	0.1
716.50592	0.4
775.46490	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	777.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07628	2.5
59.01249	5.8
60.26186	2.3
71.22071	5.9
82.09743	2.4
89.02323	4.4
96.60279	3.1
128.18866	2.7
154.20874	2.7
156.40192	2.9
174.80057	2.9
176.33351	2.7
201.11241	42.9
202.11647	3.7
209.11769	80.4
210.12183	3.7
227.12886	20.7
235.08096	12.8
253.09282	12.9
277.21695	100.0
278.22079	11.4
362.47223	3.3
378.50549	3.1
393.45993	3.0
395.84943	3.0
419.19220	4.0
437.20148	6.8
445.21082	6.3
513.30713	5.9
697.41168	5.4
735.23511	3.2
762.45673	3.2
777.41882	21.5
778.42688	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	775.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81894	0.8
59.01246	2.0
67.01761	2.0
69.03304	0.9
71.01236	2.0
76.48165	0.9
77.03840	2.8
78.95763	5.9
79.95596	2.4
81.03323	2.5
83.04890	3.1
87.00765	0.9
89.02291	1.2
89.03822	1.1
93.03326	16.8
95.04896	5.3
96.95887	100.0
96.96784	8.3
102.58080	0.8
105.03337	15.8
106.04123	1.2
109.02858	0.9
111.04388	12.0
119.31326	0.9
121.02808	2.7
123.04417	2.1
127.03892	2.0
133.02846	81.6
134.03641	43.5
135.04422	38.7
135.62526	1.0
137.02344	27.6
139.03925	7.6
150.03145	2.6
155.03394	12.3
173.04463	44.6
177.01843	18.2
178.02631	96.7
179.03400	33.6
180.03702	1.6
191.05537	2.0
252.06451	1.4
253.07069	1.3
277.21747	6.6
278.22043	6.0
279.22980	1.5
349.27325	2.4
397.13062	1.2
423.28867	1.9
441.50446	1.1
453.09055	1.3
465.30115	7.7
466.30603	1.4
483.31226	9.4
484.31461	1.8
509.28830	2.3
527.29944	4.8
557.34796	13.2
558.34906	1.3
601.33807	79.5
602.34125	14.6
775.25964	1.7
775.39233	19.3
776.39716	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	775.404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	3.1
60.77625	2.1
61.98707	2.7
71.01243	5.2
71.84347	2.5
79.12238	2.2
102.95624	2.3
113.02347	3.5
149.28279	2.3
171.08740	5.0
171.10185	100.0
207.10191	6.4
225.11273	27.9
253.09218	9.8
277.21719	72.2
278.21893	6.1
407.19052	8.4
443.19077	6.2
461.20297	8.3
478.08307	2.7
667.40570	5.9
721.41528	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	775.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25568	8.2
61.98727	7.4
69.88737	8.9
71.01257	10.9
71.06924	18.5
80.96395	100.0
82.88685	7.6
94.97957	29.6
126.12842	8.8
211.13280	12.8
213.07602	7.9
225.00685	18.4
277.21667	25.0
732.47272	9.5
775.43188	97.4
776.43372	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50903	1.5
59.01240	1.8
71.01238	2.3
81.03345	2.0
83.04903	4.2
84.55986	1.4
85.02803	2.4
93.03333	15.5
95.04875	4.5
99.15565	1.4
105.03343	16.3
106.04148	2.1
111.04408	10.8
121.02838	5.2
123.04425	1.9
133.02850	86.3
134.03641	39.9
135.04427	44.0
137.02327	23.6
139.03868	7.9
141.47411	1.7
150.03162	2.2
155.03375	15.2
171.10136	1.8
173.04468	43.9
174.04729	2.2
177.01843	14.5
178.02629	87.3
179.03389	33.5
225.11102	2.4
229.62115	1.8
252.06351	5.1
253.07002	2.8
260.72131	1.7
277.21628	3.3
312.56815	1.6
349.27509	2.1
453.88525	1.6
458.07825	2.0
465.30164	8.5
466.30252	1.8
483.30991	6.3
509.29047	2.3
527.29962	6.3
549.77051	1.7
557.34705	4.7
601.33807	100.0
602.33984	14.1
658.94049	1.9
775.38989	23.7
776.39807	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	775.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68396	0.1
59.01254	0.2
71.01253	0.3
73.52424	0.1
78.95776	4.3
79.95610	3.0
84.12788	0.1
94.92342	0.1
96.95888	100.0
96.96775	5.3
97.95812	0.3
98.02364	0.2
99.00724	0.1
101.45336	0.1
118.96489	0.3
125.48325	0.1
131.15224	0.1
142.22995	0.1
146.96092	0.1
182.99690	0.1
201.00798	0.1
229.86526	0.1
242.37349	0.1
250.14111	0.1
279.23297	0.5
279.26056	0.1
283.76163	0.1
291.03870	0.2
312.32516	0.1
354.91504	0.1
361.04581	0.2
397.13354	0.5
409.18857	0.5
415.14429	0.1
435.08133	0.8
449.86322	0.1
453.09351	1.2
466.00656	0.1
562.07178	0.1
595.27991	0.2
715.32190	1.2
716.32733	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19019	1.0
57.03307	2.0
58.64095	1.0
59.01247	2.1
60.99157	3.7
66.73860	1.4
67.01511	1.0
67.01764	11.0
69.03323	2.5
71.01239	4.3
71.57691	1.2
71.58156	1.5
78.95746	1.4
81.03322	3.2
83.04893	2.1
87.00746	13.0
93.03335	86.2
94.03664	2.6
95.04890	2.4
99.00800	1.3
105.03320	4.9
109.02848	2.5
111.04398	13.7
115.03880	1.2
119.29440	1.2
121.02821	1.8
129.01855	1.3
133.02844	31.7
134.03644	13.3
135.04446	11.6
137.02348	11.0
139.03897	1.9
155.03404	6.7
171.10149	1.5
173.04466	100.0
174.04770	4.5
177.01881	7.3
178.02631	26.5
179.03424	11.4
191.05492	4.2
215.05585	1.6
351.07150	4.1
405.70767	1.4
440.75342	1.3
465.30243	3.4
483.31195	2.0
557.34412	2.0
601.24255	1.5
601.33881	28.7
602.34540	4.4
738.20837	1.5
775.39105	48.5
776.39587	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	775.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	5.2
59.21373	0.8
67.01764	1.5
71.01266	3.3
71.58298	1.5
77.93554	0.6
79.35889	0.6
82.77738	0.7
84.02030	0.6
85.02827	1.3
89.02308	1.5
93.03327	2.9
95.01199	0.8
96.95882	3.1
101.02318	1.6
108.02051	0.8
109.02828	2.2
119.03384	1.0
119.04911	0.8
121.02852	7.5
122.03636	2.9
123.00778	1.9
123.04425	1.7
124.01504	1.1
125.02399	0.8
127.81624	0.6
133.02840	0.9
134.03624	0.9
135.04422	4.9
136.01559	23.0
136.05206	0.8
137.02336	17.3
138.03046	0.9
139.03981	0.8
147.04425	1.3
148.01471	0.7
149.02380	2.2
150.03065	4.9
151.00290	6.1
151.03899	28.5
152.01044	1.4
152.04359	1.1
154.02617	1.2
161.02330	0.9
161.05980	0.8
162.03076	1.3
163.03954	2.4
164.01039	2.1
165.01839	100.0
165.05495	4.9
166.02608	19.7
167.03381	3.8
172.05208	1.0
173.04495	1.5
175.03894	4.8
175.07552	0.8
176.04544	1.2
177.01814	2.1
177.05408	1.0
179.03421	24.2
179.06903	1.0
180.04193	62.1
180.53543	0.6
181.04968	23.2
182.05296	1.0
189.05501	2.2
190.06268	5.7
191.03462	0.8
191.05536	2.6
192.04239	0.8
193.04897	1.1
194.05727	4.6
195.02815	2.5
195.06557	87.5
196.06909	3.9
205.04967	1.0
205.08633	1.0
206.05772	0.8
207.06558	1.7
210.05267	13.1
211.05904	0.9
221.08188	1.6
225.07628	72.9
226.07980	3.9
281.04651	0.8
309.07907	0.7
311.09216	0.8
326.07159	0.7
326.11551	1.1
329.06702	1.0
329.10431	1.0
340.13092	0.8
341.10248	0.7
342.10846	1.1
345.09723	1.1
356.12662	2.3
357.09650	4.3
357.13541	8.0
358.13858	0.8
359.11383	1.4
372.12134	4.8
373.12741	2.3
385.12921	1.5
386.13684	3.4
387.14456	55.8
388.14780	5.2
417.15305	1.3
427.69537	0.7
520.17194	1.1
535.19629	2.2
550.18378	1.2
565.20721	57.9
566.21204	8.3
583.21899	1.3
595.21918	1.0
613.22827	28.0
614.22998	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	775.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.7
59.01249	73.8
61.19430	1.4
61.98689	1.9
65.54947	1.4
69.51681	12.2
71.01254	5.3
78.95765	1.6
83.01251	2.2
85.02824	10.4
87.00738	2.4
93.03341	4.2
96.95892	13.0
101.02296	2.7
106.04114	2.1
107.04877	2.1
108.02055	4.6
109.02822	6.8
113.02319	2.2
119.04954	2.9
121.02840	45.8
122.03683	1.8
123.04374	3.2
134.03615	2.7
135.04408	27.6
136.01511	1.8
136.48886	1.6
137.88145	1.5
145.02838	6.5
146.03662	11.2
147.04459	7.7
147.05449	1.7
147.08061	2.2
149.05984	51.3
150.03117	4.3
150.06267	2.3
151.03873	3.0
161.05972	14.0
162.03104	9.5
162.06693	2.2
163.03912	9.2
163.07567	8.8
164.04691	10.6
165.05489	100.0
166.05884	3.9
168.11366	1.7
177.05443	8.6
179.05513	2.2
179.07045	33.4
180.07393	1.7
181.54985	1.7
189.05513	5.4
191.05496	2.5
191.07095	3.2
193.04953	2.3
207.06586	16.1
209.08134	70.4
210.08417	1.9
219.06482	1.7
219.31230	1.5
224.06828	3.0
225.07637	79.7
226.07942	5.0
228.82666	1.5
239.09215	64.7
239.11644	3.3
240.09494	2.7
251.33580	1.8
266.09335	1.5
295.09641	1.6
324.09937	1.6
325.10815	12.1
367.11853	4.7
385.12921	4.5
437.16760	1.6
441.15503	16.8
477.54831	1.6
529.18854	2.8
535.19739	14.4
536.19623	3.1
547.19714	70.2
548.20197	9.0
565.20636	7.9
566.21515	1.9
583.21729	17.7
625.22754	3.5
757.28210	5.2
775.29785	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	773.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65780	0.1
56.18722	0.1
59.01252	0.1
61.98700	0.1
65.51653	0.1
71.01251	0.5
77.87365	0.1
78.95772	3.9
79.95603	2.9
85.02817	0.1
90.97025	0.2
94.92368	0.2
94.97940	0.1
95.97483	0.2
96.00781	0.1
96.92117	0.3
96.95889	100.0
96.96775	5.3
97.02807	0.1
97.95785	0.4
98.02363	0.2
98.90527	0.1
99.00771	0.1
109.11741	0.1
110.34381	0.1
114.74100	0.1
116.98580	0.1
118.96529	0.3
132.98065	0.1
144.98155	0.1
146.96051	0.1
168.98105	0.1
171.28065	0.1
182.99667	0.1
194.99802	0.1
198.99231	0.1
201.98282	0.1
210.99159	0.1
212.27016	0.1
213.45747	0.1
215.46181	0.1
217.00233	0.1
243.01852	0.1
259.01318	0.2
268.99771	0.1
277.02310	0.1
277.21622	0.4
291.03848	0.2
301.02350	0.1
333.05042	0.2
361.04657	0.2
385.78458	0.1
397.13470	0.3
407.17313	0.5
415.14569	0.1
435.08331	0.7
453.09265	1.5
454.09695	0.1
540.90906	0.1
601.31134	0.1
713.30573	1.2
714.31097	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	34.2
61.37968	0.8
71.01251	2.8
71.57888	1.5
75.44395	0.9
78.95782	1.3
85.02824	1.4
93.03334	1.5
96.95898	4.5
98.20665	0.8
107.04914	0.8
113.02322	1.2
116.97113	1.0
117.03357	3.2
119.04910	12.8
120.05298	1.0
121.02858	2.4
135.04356	1.4
145.02840	7.2
145.06580	1.4
147.04366	1.2
147.08018	1.8
149.05981	41.6
150.06335	2.1
151.00285	1.1
152.01056	0.9
161.05925	1.2
163.03917	11.2
165.05527	1.8
166.02605	1.5
181.05020	1.1
191.03389	1.0
209.08131	100.0
209.11494	2.3
210.08443	6.1
225.07527	0.9
321.11252	1.1
327.21616	2.0
345.48694	0.9
353.73654	0.9
366.11023	1.3
381.13315	1.5
417.74005	0.9
473.18170	1.3
531.20276	3.6
556.93103	1.0
563.19104	1.8
623.20782	5.1
661.82141	1.0
755.26703	1.0
773.28113	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	773.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.3
61.98698	0.1
68.29781	0.1
70.96056	0.1
71.01257	0.5
71.57400	0.2
74.83348	0.1
78.95772	4.6
79.95604	2.9
83.01273	0.1
89.02289	0.1
90.97038	0.2
94.97942	0.1
96.00788	0.1
96.95888	100.0
96.96779	6.3
97.02830	0.1
97.95814	0.3
98.02347	0.4
98.90531	0.2
99.00768	0.1
103.95299	0.1
118.96495	0.3
139.55345	0.1
142.32326	0.1
144.98154	0.1
158.91307	0.1
182.99699	0.1
250.59183	0.1
277.21661	0.3
283.27209	0.1
287.22888	0.1
319.03387	0.1
333.05060	0.1
361.04544	0.3
397.13287	0.3
407.17706	0.3
414.24796	0.1
429.19662	0.1
435.08258	1.0
453.09192	1.3
572.36353	0.1
593.26202	0.1
713.30530	1.7
714.31012	0.3
769.37701	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	771.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	11.1
61.98699	57.8
70.70341	2.0
71.01254	2.6
73.02819	1.1
79.95621	1.1
79.99445	0.6
80.96382	2.5
85.02843	0.9
87.00735	0.7
89.02311	2.1
100.04197	0.6
101.02313	2.4
103.93636	0.7
107.47352	0.6
113.02316	1.3
129.89081	0.6
183.13826	9.5
195.13803	7.9
213.14890	49.5
214.15283	2.6
235.08151	3.8
253.09296	10.7
279.23267	100.0
280.23584	9.4
475.37863	1.2
515.32184	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.4
61.98701	100.0
62.98402	0.3
70.61027	0.6
71.01266	0.3
89.02325	0.3
91.70960	0.2
101.02354	0.2
144.56395	0.2
162.00485	0.2
183.13875	0.9
184.14192	0.8
185.14453	0.2
195.13863	1.1
196.14224	0.9
213.14909	5.7
214.15239	4.7
215.15463	2.2
216.15831	0.5
253.09280	1.0
254.09673	0.6
255.09779	0.6
277.21704	4.1
278.22089	4.9
279.22321	1.9
280.22708	0.5
422.02872	0.2
475.37250	0.3
547.41510	0.2
547.63531	0.2
736.56866	0.2
748.76587	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	37.5
60.45923	0.6
70.80586	1.7
85.02811	3.8
96.95892	2.1
99.48225	0.5
106.04118	1.4
107.04913	1.5
108.02054	0.7
119.04914	5.3
137.76799	0.6
145.02849	1.4
146.03566	0.7
147.08125	1.5
149.05981	46.2
150.06277	3.4
163.03914	3.1
191.05548	1.1
191.07072	4.3
193.04280	0.6
205.08571	0.7
209.08125	100.0
210.08473	6.8
211.08772	0.9
223.09760	7.9
309.20782	1.1
369.13687	0.6
381.94885	0.7
386.51505	0.7
391.48581	0.6
401.05991	0.7
416.44476	0.7
513.18781	0.9
525.81183	0.8
531.20319	4.0
532.20288	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	34.1
60.01582	0.2
70.01977	0.5
70.02392	0.4
78.95805	0.2
87.00732	0.2
96.95893	0.6
98.19841	0.3
106.04114	1.3
107.04910	0.9
108.02061	0.6
114.86118	0.2
119.04919	0.3
142.87236	0.2
145.06477	0.5
147.04407	0.4
147.08066	2.4
149.05975	46.9
150.06291	1.6
163.07445	0.2
171.10226	0.3
208.07373	0.2
209.08121	100.0
210.08447	4.1
223.09694	0.2
337.10596	0.3
348.07596	0.2
501.19489	0.2
522.75464	0.2
561.20850	0.7
573.60504	0.2
661.31848	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78479	1.3
59.01255	12.0
60.48063	1.1
66.44062	1.4
70.30165	1.3
71.01257	2.8
89.02301	3.1
90.20078	1.7
101.02330	2.5
113.02355	1.9
113.44863	1.4
156.35361	1.3
161.04471	1.7
183.13809	13.1
191.21962	1.3
195.13870	18.7
213.14902	100.0
214.15205	4.1
235.08127	1.8
253.09230	18.6
254.09729	1.5
279.23279	91.7
280.23672	8.5
281.23624	1.4
336.30838	1.4
475.38025	6.0
780.31866	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01222	0.5
63.02282	0.5
65.00209	0.8
70.84795	0.4
70.85152	1.1
80.00420	0.4
96.95882	0.4
107.01264	1.6
108.02066	0.4
109.02853	1.1
121.02840	1.0
122.73470	0.5
133.02850	0.8
134.03618	0.9
151.00264	8.8
152.00743	0.4
154.17006	0.4
163.00290	0.9
169.01263	0.8
171.04422	0.9
175.00304	1.1
175.03967	0.4
178.99800	2.8
187.03976	0.5
191.05493	0.8
193.04865	0.6
194.29541	0.4
199.03909	2.7
201.01930	0.6
203.03477	0.6
215.03450	1.3
226.02731	1.0
227.03423	3.5
243.02948	4.9
255.02856	4.1
256.03403	0.8
271.02460	57.7
272.02805	4.4
273.03830	0.6
294.45935	0.4
299.01950	100.0
300.02634	35.0
301.03494	41.1
302.03864	3.0
313.03403	0.7
343.04456	1.4
388.29950	0.5
462.08008	13.4
462.14615	0.7
463.08643	6.9
464.09222	0.7
549.59845	0.5
557.16742	0.5
571.82721	0.4
609.14551	30.5
610.14807	3.9
681.25208	0.5
771.19830	51.5
772.20258	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69098	0.5
55.01757	0.8
59.01250	100.0
60.01582	1.1
69.28290	5.2
71.01254	11.4
72.99190	0.8
73.02824	4.3
83.01258	1.3
85.02827	5.7
87.00754	1.0
89.02316	3.4
93.03348	2.0
96.95901	0.8
97.63960	0.5
99.00771	2.5
101.02322	8.5
103.37263	0.5
113.02308	4.1
120.00449	0.5
121.02867	0.6
125.02438	0.6
135.04425	0.6
143.03426	0.9
145.08638	0.8
149.02336	1.2
149.04466	2.1
151.63882	0.5
159.02937	0.5
161.04495	5.1
164.04715	0.7
169.54643	0.5
173.04506	2.0
191.05528	4.1
223.06119	1.9
264.96936	0.6
269.10315	10.1
271.02719	0.6
300.02805	0.9
301.03540	1.1
307.14026	2.1
311.11356	5.6
355.10229	0.6
402.46222	0.5
415.16199	2.9
434.95627	0.5
478.24503	0.6
727.28503	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	771.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85162	0.3
59.10788	0.3
63.02259	0.6
65.00205	0.8
70.12144	1.3
72.14980	0.4
83.01267	0.6
93.03294	0.6
94.26577	0.4
107.01288	1.7
109.02848	0.9
121.02834	1.1
133.02873	0.6
136.46597	0.4
141.93144	0.3
147.00771	0.5
151.00270	7.2
163.00288	0.8
169.01328	0.6
171.04405	0.8
175.00264	1.0
175.03909	0.6
178.99754	1.7
183.04355	0.4
187.03915	0.5
191.05566	1.0
199.03920	2.9
203.03494	0.4
208.59151	0.3
211.03909	0.4
213.01727	0.4
215.03358	1.9
226.02634	1.2
227.03397	3.3
228.03871	0.5
243.02950	5.2
254.02130	1.0
255.02963	5.9
256.03500	0.5
271.02460	58.4
272.02847	4.4
273.03940	0.4
282.01614	0.6
283.02533	0.4
299.01950	100.0
300.02664	35.0
301.03488	31.0
301.08536	0.6
302.03806	2.3
313.03601	0.8
315.05389	0.3
334.90881	0.4
343.04840	0.5
357.44305	0.4
386.92023	0.4
393.89694	0.4
462.08035	13.4
462.14563	0.6
463.08667	4.7
609.14545	31.3
610.14917	3.9
753.42987	0.4
771.19873	42.4
772.20081	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	769.474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92553	0.5
59.01248	12.2
60.50964	0.6
69.62190	3.9
71.01250	2.5
79.70387	0.5
87.00737	0.6
89.02312	2.8
94.55199	0.5
101.02299	2.8
113.02328	1.2
142.90144	0.5
161.04485	1.4
183.13823	13.5
195.13820	19.0
196.14113	1.0
201.38132	0.6
203.72130	0.5
213.14893	100.0
214.15265	4.1
235.08194	4.0
253.09250	17.6
253.11868	0.9
254.09303	1.2
277.21704	99.7
278.22009	6.9
438.22760	0.5
473.36255	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	769.507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	26.6
60.99176	16.1
61.98689	3.1
71.01253	9.7
72.99178	58.7
81.03334	10.4
83.04890	43.8
85.02816	5.9
88.00245	3.2
88.98677	89.9
89.02312	15.4
89.99023	11.4
90.01862	5.1
90.82691	2.4
90.99107	5.4
91.00234	4.3
93.03303	4.1
101.02319	6.6
113.02328	3.4
125.02285	3.7
125.07052	2.8
130.78406	2.4
135.04395	4.8
165.05528	2.7
173.04459	4.8
191.05524	11.5
224.17607	9.4
225.16025	23.4
304.51804	2.5
317.01385	2.5
365.25528	2.8
450.34201	3.0
451.32806	10.1
488.97302	3.0
577.40460	3.3
665.37067	5.3
673.46619	24.1
674.46783	8.2
675.48010	37.9
676.48346	20.7
677.49603	100.0
678.50049	19.4
683.39240	4.1
691.47491	24.0
692.48114	16.5
709.49225	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	767.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.9
60.05608	0.2
60.99175	14.7
66.91878	0.2
69.53488	1.9
71.01248	1.4
72.99182	0.7
73.02815	0.5
75.00731	0.3
80.19264	0.2
81.03323	0.7
83.01237	0.3
83.04893	2.3
85.02813	0.7
87.00739	2.5
88.00269	7.0
88.98675	100.0
89.02315	10.4
89.99010	0.7
90.01824	0.5
93.03346	0.4
98.19768	0.3
101.02332	0.6
113.02314	1.0
122.83389	0.2
125.07066	0.3
131.03415	0.2
134.03589	0.2
135.04410	0.4
143.65916	0.2
149.04430	0.6
161.04413	0.4
162.92352	0.2
167.03470	0.3
173.04480	0.7
175.03934	0.5
179.05533	0.3
191.05606	1.3
192.05865	0.3
193.04994	0.4
194.82027	0.2
207.15021	0.3
224.17627	0.3
225.16048	1.0
272.85968	0.3
451.32913	0.4
545.88995	0.3
560.58606	0.3
591.29956	0.4
663.35962	0.4
671.44586	0.3
673.46515	1.1
675.48132	1.9
677.49188	1.7
678.49884	0.6
689.46271	0.6
690.47095	0.4
691.47742	1.1
707.50452	1.3
723.34570	0.3
767.51324	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.5828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	0.3
65.39056	0.3
65.49651	0.3
71.57662	0.5
71.58047	0.4
77.82794	0.3
83.69338	0.3
92.50035	0.4
94.01182	0.3
107.74515	0.4
158.53047	0.3
277.21695	1.1
325.09781	0.3
415.32147	100.0
416.32486	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	769.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.4
57.03313	0.8
58.00448	1.0
59.01250	16.2
61.98701	0.4
69.03331	0.5
69.27013	2.4
69.27420	1.0
71.01252	10.8
72.99174	1.3
73.02816	3.2
78.53680	0.3
78.95758	0.5
83.01244	1.4
85.02824	3.6
87.00755	1.1
89.02313	4.0
93.03326	0.8
95.01270	1.0
96.95892	1.5
98.20515	0.6
99.00775	0.8
99.04375	0.4
101.02322	6.5
109.02853	0.5
113.02336	5.2
119.03390	0.8
125.02333	1.0
133.02785	0.7
135.04431	0.8
143.03423	0.5
149.02350	0.5
149.04495	0.4
161.02412	0.8
161.04443	0.9
163.03883	0.4
167.03574	0.4
173.04507	0.6
179.03389	0.5
179.05383	0.4
191.03506	0.7
191.05522	1.7
195.06532	0.4
221.06541	0.8
223.06015	0.7
251.12901	1.4
313.23907	1.9
341.26852	2.6
342.27594	0.4
359.28003	15.8
360.28302	1.4
367.14984	0.4
394.17999	0.4
431.19086	1.2
435.62204	0.3
479.26852	0.7
496.59747	0.4
503.32227	8.2
504.32718	0.9
516.12012	0.4
521.33264	100.0
522.33624	11.0
563.22107	0.5
563.25952	0.4
563.34467	4.3
565.25146	0.5
623.30426	0.7
665.37689	2.2
683.38171	1.1
725.39630	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	12.8
63.32202	0.5
69.81331	0.5
70.02360	2.1
71.01243	1.7
73.02809	0.6
77.29634	0.4
80.01954	0.6
84.61787	0.5
89.02321	1.3
101.02330	1.7
144.01773	0.4
161.04507	1.1
167.14349	0.6
183.13802	6.1
193.12253	1.8
211.13332	100.0
212.13637	5.9
235.08130	1.4
253.09288	6.0
261.87540	0.5
277.21710	50.4
278.22025	3.7
284.57605	0.5
429.21329	1.0
447.22302	7.7
448.22949	0.7
453.39566	0.5
767.42474	0.9
789.92804	0.6
792.54785	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.6
57.03324	1.0
58.00466	0.7
58.75021	0.2
59.01249	15.7
61.98693	0.4
68.99692	0.2
69.03331	0.6
71.01252	12.7
71.04868	0.3
71.58746	0.2
72.01587	0.4
72.99186	1.1
73.02813	3.2
75.00717	0.2
83.01254	1.8
83.97459	0.2
84.98170	0.2
85.02820	3.9
87.00755	0.8
87.04383	0.3
89.02313	5.3
93.03318	0.4
95.01259	1.2
96.95872	0.9
97.02850	0.5
98.66019	0.2
99.00746	0.6
101.02322	8.0
108.02068	0.3
113.02319	4.5
119.03397	2.0
123.04375	0.2
125.02335	0.9
131.03380	0.7
135.04411	0.4
141.12720	0.3
143.03432	0.4
147.11925	0.2
149.02312	0.4
149.04410	0.5
152.01039	0.9
161.02354	0.5
161.04449	1.0
167.03375	1.2
173.04422	1.0
179.05550	1.1
185.11743	1.8
191.03416	1.5
191.05492	0.6
199.13339	0.3
218.29352	0.2
221.06647	1.6
223.06035	0.3
249.11311	0.3
263.07767	0.2
297.24390	0.6
309.24429	1.0
325.23846	0.5
327.25418	3.4
328.25653	0.3
339.25357	9.4
340.25717	1.0
341.26971	0.3
355.25113	0.7
357.26431	33.1
358.26846	2.8
371.27914	0.6
399.27515	1.8
429.17703	0.5
501.30655	8.8
502.30978	1.1
519.31702	100.0
520.32050	12.8
561.23407	0.3
561.32849	4.5
562.33417	0.9
723.37817	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.7
55.32753	0.3
57.03313	1.3
58.00456	0.5
59.01252	14.2
61.98694	0.6
65.64633	0.4
69.03312	0.7
69.65747	1.4
69.66172	0.9
71.01253	11.9
72.99165	1.3
73.02818	3.9
83.01265	2.2
85.02824	4.2
85.24351	0.3
87.00739	1.4
89.02327	3.8
90.65489	0.3
93.03331	0.7
95.01268	1.2
96.95876	1.3
99.00725	0.5
101.02323	7.1
111.00799	0.5
113.02329	4.1
114.29906	0.3
119.03375	1.3
121.36423	0.3
122.21575	0.3
123.04340	0.5
125.02342	1.5
131.03348	0.4
135.04420	0.6
139.11162	0.5
143.03378	0.5
149.02406	0.3
149.04515	0.7
161.02365	0.4
161.04451	1.3
173.04463	0.8
179.03342	0.7
179.05521	0.8
181.04980	0.3
185.11743	0.4
191.03395	2.8
191.05458	1.0
192.03780	0.8
221.06621	1.2
223.06067	0.4
249.11546	0.3
309.24368	0.6
311.22324	2.1
327.25229	1.0
333.65134	0.3
339.25381	4.7
340.25970	0.5
341.26923	1.0
357.26440	18.5
358.26691	1.7
371.28156	0.4
399.27383	0.8
501.30713	8.5
502.30972	1.2
519.31720	100.0
520.32074	13.5
520.39960	0.6
561.32819	4.1
562.32703	0.6
602.67072	0.4
663.35901	1.4
681.37012	1.2
723.37988	4.4
724.37836	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78421	0.3
55.04343	0.4
56.79779	0.3
59.01244	1.4
59.41557	0.3
60.99175	17.5
71.01254	1.9
78.95791	0.6
83.89351	0.3
87.00750	8.8
88.00272	6.5
88.01097	0.9
88.98676	100.0
89.02311	40.5
89.99016	1.1
90.02648	0.4
98.20538	0.9
101.02306	0.8
103.91901	2.5
104.92667	1.5
113.02274	0.3
114.94750	1.3
122.89333	1.8
130.94289	0.5
148.90901	4.1
152.99440	0.6
158.93782	0.7
172.95338	0.9
184.95331	0.9
198.97057	0.4
253.09138	0.4
277.21634	2.5
307.01147	0.4
336.98581	0.4
340.14755	0.4
380.20013	0.4
397.13577	3.5
409.00610	0.5
415.14758	1.1
418.81168	0.3
451.05316	0.8
469.06424	0.9
483.04547	1.9
487.03183	1.1
505.03830	0.7
651.18134	0.4
729.27686	2.1
730.28833	0.5
765.25555	1.9
766.25952	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18425	0.6
57.03312	1.1
58.00453	0.9
58.07156	0.6
59.01248	18.6
61.98683	0.7
71.01253	12.3
71.04890	0.7
71.14431	1.4
72.99157	0.8
73.02808	3.7
83.01268	2.2
85.02822	3.6
87.00761	0.9
89.02315	3.8
95.01270	1.6
96.95892	1.9
99.00752	0.9
101.02315	5.7
113.02328	5.4
119.03423	1.3
123.08079	0.9
125.02313	1.0
125.09632	1.3
131.03319	0.7
135.04465	0.8
143.03383	1.0
149.04390	0.9
161.04416	1.0
165.05453	0.7
173.04373	1.1
175.29303	0.9
182.28214	0.6
191.03421	2.3
191.05518	2.4
325.23834	3.9
337.23837	6.9
355.24881	16.4
356.25272	1.8
459.69025	0.7
499.29202	7.7
500.29672	1.2
517.30157	100.0
518.30371	14.9
559.31165	5.3
560.32080	0.7
561.32690	1.5
578.23676	0.7
721.36560	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00451	0.8
59.01250	100.0
60.01603	1.5
62.58463	1.0
69.03320	0.9
69.57000	4.7
71.01250	16.8
72.99174	0.7
73.02818	14.5
75.00705	0.7
75.30233	0.6
75.78809	0.6
83.01256	5.0
85.02815	3.6
87.00732	0.6
89.02309	8.5
93.03277	1.3
95.01285	1.3
96.95911	0.9
98.20521	1.0
98.92120	0.7
101.02323	19.3
110.12840	0.6
113.02328	8.6
119.03394	3.4
120.76069	0.7
125.02303	0.7
131.03456	1.6
133.02808	0.9
135.04396	1.2
143.03426	2.8
149.04482	2.9
161.04478	6.0
173.04512	1.7
179.03433	1.5
179.05574	1.1
191.05504	3.1
221.06694	1.1
225.23509	0.6
233.21854	0.6
313.16751	1.8
331.17719	2.0
373.18668	7.0
721.36389	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28872	0.3
59.01252	2.9
59.40517	0.3
60.24535	0.3
60.99173	17.2
71.01250	2.5
80.11977	0.4
87.00748	20.2
88.00273	10.2
88.01082	2.6
88.98675	100.0
89.02312	93.4
89.99028	0.7
90.02657	1.3
101.02312	0.9
103.91914	1.8
104.92683	1.3
113.02324	0.4
114.94740	1.1
122.89290	1.5
125.02327	0.6
130.94215	0.7
132.55324	0.4
148.90883	4.2
154.69414	0.4
171.94553	0.4
172.95386	0.8
184.95314	0.7
190.37956	0.4
235.08206	0.6
277.21796	4.1
278.22153	0.7
282.65472	0.4
397.13516	7.0
398.13675	0.8
415.14804	2.3
469.06403	0.9
483.04446	1.2
487.02628	0.7
500.37753	0.4
539.91394	0.5
729.28040	2.2
765.25519	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	765.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.8
57.03325	1.7
58.00463	1.4
59.01249	33.8
60.99181	1.1
65.37504	0.6
69.03327	1.6
70.91764	0.9
71.01252	24.8
71.04890	0.6
72.01599	0.6
72.99185	2.6
73.02823	2.4
78.95734	0.6
79.54972	0.5
81.03333	2.3
81.06948	0.5
83.01251	2.0
83.04890	2.0
85.02811	9.2
85.03278	0.8
87.00748	2.8
88.89478	0.6
89.02315	15.3
93.03329	40.5
94.03679	1.2
95.01267	1.8
96.95903	3.0
99.00750	1.0
99.04394	2.3
101.02319	10.7
109.02850	1.5
111.00752	2.3
111.04409	7.8
113.02321	8.5
115.53055	0.5
119.03372	7.4
119.04867	0.5
125.02291	1.0
127.03884	1.7
131.03377	1.2
133.02873	1.6
135.04413	3.5
137.02333	7.7
140.99667	0.7
143.03381	1.3
149.04507	1.1
155.03401	7.8
161.02341	4.6
161.04475	1.0
161.13264	8.5
162.13722	0.6
165.05460	0.7
173.04463	100.0
174.04785	3.5
179.03426	1.8
179.05536	3.0
187.11221	1.3
189.01732	0.6
191.05525	44.5
192.05843	1.2
193.05000	0.6
205.12274	15.0
249.11311	9.0
280.14899	0.6
299.02014	0.7
353.09076	0.8
379.17645	1.3
385.18643	1.5
423.16605	17.5
424.16733	1.9
429.17633	14.0
429.23230	1.1
430.18097	1.6
473.23621	1.1
480.91571	0.6
517.30090	1.6
528.57031	0.6
559.31104	1.2
585.20007	3.4
603.22900	94.2
604.23218	14.3
661.34650	1.2
679.35309	0.6
721.36304	0.8
765.25684	4.3
766.26501	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	765.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.9
58.00450	4.7
59.01247	100.0
60.01576	1.9
69.03330	2.8
71.01248	60.0
71.57941	2.2
72.99173	5.5
73.02813	41.0
73.03187	3.7
78.95806	2.3
83.01260	5.9
85.02812	25.3
87.00727	13.0
87.04382	3.5
89.02314	41.9
93.03341	3.4
95.01256	3.5
96.95894	11.9
99.00751	2.9
101.02319	65.2
102.02659	2.1
103.03882	19.7
113.02316	21.2
115.03859	5.7
119.03372	17.1
119.04877	4.2
120.01131	2.5
125.02324	8.9
127.03912	4.0
131.03426	12.2
135.04364	2.8
143.03400	14.9
145.04942	11.1
149.04404	2.3
161.04445	7.2
163.03935	3.5
163.06020	80.1
167.03325	2.0
173.04478	5.8
179.03442	3.4
179.05519	7.2
185.37419	1.8
187.06073	3.1
191.05525	8.7
205.07118	21.2
209.90343	2.0
224.36288	2.4
247.08075	3.1
251.58401	2.0
265.09277	5.3
307.10419	2.5
410.09149	2.2
471.12930	3.3
580.36517	2.1
661.30499	6.7
679.31647	6.2
721.32721	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.7
66.03359	0.6
68.01286	1.5
70.02866	5.6
70.03353	0.8
71.01250	1.7
71.02367	0.7
72.00776	13.2
72.99182	2.6
73.02807	1.9
77.11958	0.6
78.95773	19.3
82.02859	2.9
85.02845	0.9
86.02344	1.9
87.00744	0.8
89.02332	0.9
94.02859	1.3
95.04888	0.6
96.00787	1.1
96.04427	5.4
96.95932	2.9
96.96843	23.5
97.02814	0.9
97.03967	0.7
98.02367	4.5
99.00741	3.1
100.03916	2.6
105.79077	0.5
106.06498	1.6
106.38433	0.6
107.03661	0.6
107.04906	0.7
108.04425	1.5
109.03963	0.6
110.05954	0.7
111.04359	0.5
112.03899	0.7
113.03468	1.1
115.05023	1.3
115.45062	0.5
116.03424	1.8
122.05988	1.6
124.03907	1.6
124.07550	2.9
125.03453	0.6
127.19226	0.5
128.03426	1.4
134.06041	1.5
135.04491	0.8
136.03928	1.0
138.05498	3.0
140.07051	0.7
143.04529	3.8
144.02940	21.8
145.03262	0.7
149.07155	1.3
150.05513	3.9
152.07126	0.6
154.05005	1.6
161.02338	1.3
161.05623	1.2
161.06989	0.7
162.05498	1.3
167.08209	4.9
168.06586	2.0
179.03383	1.0
179.08185	2.7
180.06512	1.3
188.09113	0.9
191.05576	1.4
197.09216	2.3
224.05655	1.6
241.08264	16.3
242.06560	0.6
259.09338	100.0
260.09738	5.2
285.72476	0.6
336.18192	0.6
421.14719	1.3
473.28311	0.5
503.15436	0.9
538.18134	0.6
596.66162	0.6
695.14197	0.6
755.87079	0.5
763.19714	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.7
68.02348	0.1
68.07119	0.2
71.01227	0.4
71.45083	0.2
82.95249	0.2
84.95001	1.4
85.02819	0.2
86.02353	0.2
87.00748	100.0
88.00274	4.7
88.01054	1.0
88.14892	0.2
89.02316	0.2
93.32018	0.2
101.02330	0.3
113.02331	0.2
146.91277	0.2
152.89659	0.1
235.08171	0.2
277.21655	1.1
397.13507	1.8
415.14572	0.5
425.74973	0.2
656.49243	0.2
756.24719	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41730	13.9
59.01242	17.3
68.09220	13.7
69.67970	100.0
78.95770	16.4
112.93746	13.4
138.52420	14.9
148.20282	14.1
177.38280	19.3
181.14728	16.4
185.11740	47.2
211.13431	70.6
277.21741	72.4
280.61533	16.2
317.33524	16.1
317.37256	17.7
392.26334	17.3
395.53186	16.4
568.47144	17.7
761.41785	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30637	1.5
64.29768	1.7
69.30920	3.5
69.31328	12.6
70.02847	5.5
71.01274	2.3
72.00774	12.0
78.95770	9.1
82.02858	4.0
86.02322	2.6
94.02895	1.7
96.04427	5.8
96.35535	1.7
96.95926	1.9
96.96817	11.8
98.02347	6.0
99.00758	2.1
100.03893	2.1
108.04367	2.1
115.05038	1.6
122.05972	1.6
124.03885	1.8
124.07542	2.7
126.30476	1.6
128.03404	2.3
135.04486	3.2
138.05469	4.0
143.04498	2.2
144.02930	20.1
150.05513	3.9
161.05722	1.7
167.08130	4.3
191.05501	2.0
197.09268	2.2
200.36295	1.8
224.05472	1.5
241.08249	13.0
259.09338	100.0
260.09506	5.0
283.61563	1.9
391.04373	2.1
421.07513	2.6
421.14206	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	760.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85212	1.6
55.76289	1.6
59.01253	9.7
61.92432	1.7
61.98692	7.1
66.20038	1.6
66.95790	2.0
70.79266	3.8
71.01255	11.3
73.02795	2.0
80.91566	2.2
82.95287	100.0
83.01291	3.0
83.02377	36.8
84.00782	50.1
84.01881	10.8
84.02719	3.9
84.94994	39.7
85.00317	2.9
89.02306	6.8
89.19328	1.8
101.02319	7.2
113.02316	5.6
119.03339	2.2
125.02345	2.3
161.04459	2.0
173.38319	1.9
179.05508	3.3
235.08235	3.1
277.21704	25.2
278.22159	3.1
333.62613	2.2
340.12997	2.1
354.72455	1.8
373.13904	1.9
397.13461	26.8
398.13718	2.9
415.14432	8.0
489.11679	1.9
491.54895	1.8
700.33203	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	759.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	46.8
60.01584	0.5
71.01244	0.6
71.29479	0.7
71.29842	0.3
76.41521	0.3
85.02826	3.8
89.02335	0.4
93.03318	0.7
96.95899	1.1
106.04102	1.3
107.04891	1.2
108.02049	1.0
119.04917	1.2
121.02842	0.6
123.04401	0.5
135.04433	0.5
136.01520	0.5
145.02837	1.4
145.06511	0.7
146.03641	1.0
147.04358	1.0
147.08075	2.3
149.02336	1.0
149.05981	46.2
150.03120	1.5
150.06346	1.6
151.03903	0.7
161.02396	0.9
161.05968	0.6
162.03123	5.7
163.03865	0.8
163.07492	0.4
165.05434	1.8
174.50299	0.3
177.05478	4.5
179.07065	0.5
191.05424	0.4
191.07030	6.5
192.07338	0.4
195.06586	0.4
205.08630	1.1
207.06541	0.4
209.08124	100.0
210.08488	5.7
223.09691	2.9
237.07564	1.9
294.09070	0.4
295.09680	0.5
309.11270	1.0
319.14963	0.4
327.12390	1.4
351.07736	0.4
351.12341	0.8
357.13461	1.1
367.12073	0.6
369.13364	5.3
370.13834	0.6
399.14346	0.7
417.15506	1.0
425.15787	0.6
459.16760	0.6
501.19186	1.3
513.19147	0.9
519.20148	3.2
520.20386	0.7
531.20050	1.6
532.20325	0.5
549.21185	1.9
567.21960	0.6
579.36804	0.4
591.21869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	47.1
60.99186	0.2
70.96844	0.6
72.84178	0.2
85.02822	3.6
86.25036	0.2
93.03337	0.5
98.72163	0.2
106.04106	1.1
107.04902	1.3
108.02070	0.7
117.03368	0.4
119.04935	0.3
123.04447	0.2
136.01561	0.4
145.02821	1.5
145.06445	0.5
146.03650	0.7
147.04381	0.6
147.08047	2.0
149.05986	46.6
150.03133	1.5
150.06320	2.1
161.02374	0.6
161.06009	0.6
162.03149	4.7
163.03891	0.9
163.07605	0.2
164.04736	0.5
165.05484	1.4
177.05489	5.0
178.05850	0.3
179.07022	0.4
179.27054	0.2
191.07074	6.4
192.07410	0.3
195.06566	0.4
205.08672	0.9
209.08136	100.0
210.08440	5.3
215.03101	0.2
223.09708	9.0
223.11865	0.5
224.10019	0.4
237.07692	1.3
327.12360	0.5
357.13388	0.8
367.11917	0.5
369.13605	1.2
370.13699	0.3
375.14313	0.3
417.15454	0.4
425.16052	0.7
501.19214	0.3
513.19177	1.1
519.20197	3.5
520.20459	0.7
531.20172	4.5
532.20422	1.0
549.21417	0.8
567.22461	0.9
609.23389	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	40.7
60.01580	0.4
67.01775	0.7
70.45398	0.8
71.01253	0.6
85.02824	8.5
90.31625	0.4
93.03328	0.7
96.95890	7.1
97.02803	0.7
98.20477	0.4
106.04131	0.9
107.04890	1.3
108.02034	2.2
109.02817	0.7
119.04884	0.5
121.02861	1.2
123.00817	0.5
123.04397	1.3
134.03587	0.7
135.04413	0.5
136.00519	0.5
136.01558	9.1
137.02278	0.4
139.03897	0.5
143.04884	0.7
145.06519	1.1
146.03606	0.4
147.04401	0.7
147.08038	1.7
149.02420	2.4
149.05977	47.5
150.03127	3.6
150.06316	1.8
150.78444	0.4
151.03912	8.6
159.04416	1.3
160.05167	1.3
160.99005	0.4
161.02249	0.5
162.03146	0.8
163.03944	0.9
164.04741	2.3
165.05490	4.6
171.04402	1.2
172.05191	0.6
173.05971	1.0
175.03951	0.7
175.07564	0.5
176.04727	0.5
177.05464	1.1
187.03902	2.9
188.04706	8.8
189.05200	0.8
191.05455	0.9
191.07060	10.2
192.07364	1.1
199.03856	0.5
201.05507	0.5
203.07062	11.8
204.07387	0.8
205.08560	0.4
209.08122	100.0
210.08441	4.6
213.14908	0.8
223.09720	0.4
227.03470	5.6
228.03925	0.5
229.04980	1.1
242.05797	8.2
243.06572	1.1
244.07341	1.0
255.06697	0.7
257.08142	11.8
258.08450	1.3
259.09515	0.5
263.09369	0.9
270.09027	0.8
278.09485	0.7
279.06573	0.7
283.09637	0.4
294.09006	1.1
295.09576	0.5
309.07767	0.7
309.11215	0.8
323.09598	0.4
324.10049	1.5
325.10773	2.6
327.12375	3.0
339.08231	0.6
339.12308	11.3
340.12549	1.1
357.13330	1.1
387.14450	1.2
399.14438	6.6
400.14877	0.8
417.15411	1.2
445.14777	0.7
459.16574	16.7
460.17361	1.9
485.17984	0.4
499.89017	0.4
531.20142	5.6
549.21271	4.8
550.21912	0.9
567.22089	1.2
591.22253	4.6
592.22498	0.9
609.23285	3.3
610.23657	1.0
611.37500	0.5
617.06439	0.5
671.39966	0.7
723.28143	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	59.9
61.98690	0.8
66.60816	0.7
67.01742	0.6
70.46040	1.6
71.01259	1.7
78.95752	1.0
85.02821	13.9
85.77998	0.7
93.03313	2.0
95.01281	1.1
96.95886	5.6
101.02350	0.6
103.48625	0.6
105.34205	0.7
106.04106	1.5
107.04881	1.0
108.02067	4.7
108.41656	0.7
109.02875	1.2
119.04873	3.3
121.02843	1.9
122.03643	0.9
123.00737	1.2
123.04384	2.7
134.03658	1.5
135.04385	1.7
136.01559	24.5
137.02296	1.2
139.03796	0.9
143.04918	1.2
145.02817	0.8
145.06488	1.4
146.03612	0.9
147.04408	3.4
147.08092	2.1
148.04874	0.6
149.02350	5.7
149.05980	62.3
150.03139	10.0
150.06334	2.8
151.03922	22.3
159.04396	2.8
160.05203	2.6
161.06065	1.3
162.03148	1.7
162.06729	1.0
163.03958	3.9
163.07535	1.0
164.04707	6.9
165.05492	12.3
171.04417	3.5
172.05193	1.0
173.05965	2.3
175.03893	1.3
175.07507	0.9
176.04720	2.0
177.05449	1.8
187.03899	5.5
188.04697	17.6
189.05214	1.2
191.03484	0.7
191.05540	0.9
191.07043	19.7
199.03922	1.1
203.07060	20.6
209.08122	100.0
210.08464	6.5
227.03471	6.0
229.04976	0.8
242.05774	9.0
243.06282	1.3
251.07109	0.8
257.08142	16.8
258.08533	1.2
263.07043	2.0
263.09268	2.1
268.07648	1.0
270.09048	1.1
278.09497	0.9
279.06583	2.8
283.09750	2.8
290.06238	0.7
294.08945	2.6
295.09576	1.5
297.11282	1.2
306.09189	0.8
309.07932	1.0
309.11124	3.4
310.11755	0.9
312.09970	0.8
324.09985	2.8
325.10764	4.5
327.12384	6.8
339.12344	20.6
340.12723	1.4
357.13391	1.5
387.14618	1.5
399.14444	12.9
400.15149	1.5
417.15567	4.2
422.03687	0.8
445.15054	2.4
459.16571	44.3
460.16959	6.6
485.18350	1.5
511.32523	0.8
519.20551	1.4
531.20282	6.9
532.20551	1.8
549.21234	10.5
550.21368	1.1
567.22406	3.0
591.22382	10.9
592.22583	2.5
609.23578	7.6
610.23712	1.8
715.39221	1.4
723.28381	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00183	0.7
59.01250	8.7
70.61094	1.9
71.01251	100.0
72.01582	1.1
73.02805	1.0
78.95741	0.6
80.63620	0.6
83.01292	0.7
85.02817	1.2
87.00762	0.8
89.02339	2.5
90.53613	0.5
95.01231	0.6
97.02809	0.9
97.06446	0.7
99.00773	1.6
101.02318	3.4
109.06476	2.9
113.02356	2.6
119.03384	0.6
125.09592	1.9
127.11176	2.1
137.09650	0.6
138.12875	0.5
145.04910	0.5
155.10689	0.7
161.04449	2.0
163.11189	1.6
171.10173	71.1
172.10518	3.5
174.94591	0.6
179.05583	0.6
181.12256	1.8
185.90688	0.5
199.09663	8.2
199.13354	0.8
201.11252	10.2
207.10210	11.4
208.10493	0.9
215.12906	0.6
225.11267	9.2
226.11514	0.8
235.08170	3.2
243.12383	1.2
253.09274	9.2
277.21707	84.3
278.22067	7.9
394.59708	0.6
413.06662	0.7
435.18222	0.9
461.20142	2.0
721.41791	2.8
722.43323	0.8
739.42694	1.2
757.43719	8.8
758.43890	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	757.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00187	1.1
55.91635	0.7
59.01247	9.2
71.01250	98.8
71.58874	1.2
72.01588	1.8
73.02840	1.2
78.95775	1.9
85.02801	2.1
87.00750	1.6
89.02331	2.0
89.76087	0.8
97.05928	1.0
99.00739	1.4
101.02329	3.8
109.06454	2.6
113.02321	2.1
125.09644	1.3
127.11140	2.1
138.75273	0.8
139.60539	0.9
155.10590	1.0
161.04417	2.2
163.11174	1.9
171.10172	55.7
172.10519	2.5
199.09717	7.2
199.13310	1.0
201.11238	8.1
207.10202	9.4
216.48186	0.9
225.11214	7.3
235.08194	5.1
243.12181	1.2
253.09259	10.4
277.21707	100.0
278.22107	9.3
325.18326	1.0
386.08176	1.0
461.20496	1.5
721.41718	2.6
739.42090	1.2
757.43646	10.1
758.43610	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	757.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00451	1.8
59.01249	11.9
67.28929	1.6
71.01250	92.5
71.50112	2.7
78.95809	1.9
80.00106	1.6
87.00766	3.1
89.02308	3.7
97.02795	1.9
99.00747	2.1
101.02317	5.1
109.06452	7.3
110.03626	1.8
113.02326	2.1
125.09598	2.6
127.11201	2.0
152.99498	2.6
155.10681	2.6
163.11160	5.1
171.10172	100.0
172.10533	4.0
199.09680	19.6
199.13301	4.0
201.11249	20.4
207.10182	26.0
225.11270	17.4
226.11592	2.2
243.12338	2.9
253.09232	9.2
261.14938	7.1
277.21710	79.6
278.22006	6.7
328.76273	1.9
336.58765	2.0
348.91522	1.7
435.18542	4.6
461.20227	5.2
721.41565	3.5
739.42871	2.6
757.43591	13.7
758.44983	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	757.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01332	17.6
65.18792	18.0
70.87533	37.7
70.87873	35.9
79.91283	18.1
94.35165	18.5
113.74536	20.6
135.93100	17.9
142.46854	18.8
152.99438	25.4
207.10043	20.6
225.11284	45.0
246.74168	20.0
277.18994	17.3
277.21689	100.0
307.29410	19.8
588.27942	20.2
703.91321	21.1
757.39343	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	2.1
58.00456	2.3
59.01248	32.5
68.20303	1.2
68.22388	1.2
71.01242	4.8
71.58675	1.6
78.95785	2.5
85.02798	2.0
89.02293	4.1
97.02869	1.9
97.06420	1.8
99.00758	6.5
101.02309	4.4
113.02323	2.7
119.03382	1.6
125.09574	5.7
127.11156	5.2
139.11092	1.7
155.10675	1.8
161.04585	1.5
163.11223	3.2
164.61720	1.2
165.09117	2.4
171.10129	2.9
179.21805	1.4
181.12213	6.3
199.09601	2.0
199.13399	10.1
200.13513	1.5
201.11249	78.6
202.11549	3.6
207.10196	8.2
225.11279	24.4
243.12352	7.1
253.09264	6.8
261.13379	1.3
277.21692	42.6
278.21902	2.5
461.20285	3.4
479.21063	2.0
627.25867	1.6
721.41772	4.4
739.42975	9.9
740.43335	3.0
757.43707	100.0
758.44141	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	757.438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87794	1.5
59.00947	2.5
59.01247	32.6
60.59960	1.5
66.71782	1.7
70.35579	1.9
71.01258	6.1
71.04866	2.3
71.58794	2.4
73.02847	2.0
78.95779	2.7
79.94530	1.5
82.98057	1.5
85.02819	2.0
85.84987	1.6
87.00755	3.7
89.02273	2.2
89.67469	1.6
89.84270	1.8
93.72123	1.4
97.02820	2.0
99.00728	5.8
101.02307	7.0
107.81016	1.7
116.87531	1.5
118.59106	1.6
119.42044	1.8
124.90136	1.9
125.09576	5.8
127.11189	2.9
129.42245	1.9
139.12596	1.6
152.99464	2.2
161.04448	2.1
163.11205	3.8
165.09213	1.9
171.10126	1.9
181.12288	6.3
199.13274	6.2
201.11249	45.5
202.11473	1.8
207.10194	8.4
225.11272	17.6
235.08174	7.4
243.12389	4.2
253.09302	6.0
277.21704	91.8
278.21991	8.3
295.28491	1.6
311.16733	2.2
332.88531	1.8
649.96307	1.9
721.41388	3.4
739.42694	9.6
757.43811	100.0
758.44025	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	757.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09020	25.6
59.01296	29.8
70.89309	43.3
70.89629	52.1
76.01525	25.3
84.25609	26.0
164.71526	30.1
181.12416	30.7
225.11253	100.0
277.21616	80.8
292.12463	28.0
461.20227	47.2
516.96826	36.6
757.39276	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	3.6
59.01253	54.8
61.98714	2.4
71.01252	60.4
72.99188	5.1
73.02820	8.7
74.99242	11.2
75.00739	3.8
78.91763	8.4
80.91553	98.6
81.03295	3.4
83.01247	6.0
83.04250	2.1
85.02810	13.1
87.00732	12.8
89.02309	26.9
95.01254	3.8
97.02838	5.2
99.00727	9.9
101.00838	13.8
101.02312	33.7
102.98744	18.7
111.00741	3.1
113.00851	15.2
113.02335	18.8
113.03085	3.0
115.03862	2.1
115.99520	9.5
117.97500	3.0
119.03358	7.9
125.00855	4.3
125.02339	13.0
126.98810	3.9
127.02383	2.5
129.00388	3.9
130.98286	3.4
139.02406	3.5
141.00325	10.5
141.01601	12.1
143.03403	4.4
143.99031	10.3
153.00299	7.8
153.01627	7.9
155.01949	2.3
155.03140	2.7
161.04506	10.3
165.01596	4.4
167.01901	8.3
167.03316	2.4
168.99806	2.7
171.10152	4.2
173.02960	4.0
179.01852	2.4
179.05609	3.5
181.03378	2.0
181.12344	2.1
195.01500	5.5
197.02975	2.9
201.02486	6.6
207.01332	2.9
207.10179	5.8
209.11804	2.0
221.06795	3.0
225.11272	6.5
226.11592	3.2
229.23969	2.9
235.08237	13.5
242.13898	5.6
243.05115	12.4
250.65988	1.8
253.09364	7.0
257.04892	10.3
260.14969	3.6
261.04639	3.8
275.06241	11.2
277.21707	98.8
278.22040	11.2
297.06143	2.8
305.08780	2.0
345.06693	16.8
359.08347	3.8
359.22049	40.3
360.22397	2.9
391.19720	3.1
397.13470	98.8
398.13806	8.0
415.14511	26.4
416.14694	2.2
419.11029	64.8
420.11166	6.2
437.12372	61.5
438.12561	7.0
577.28955	3.0
584.73712	2.4
697.32904	100.0
698.33075	23.7
730.23975	2.3
756.46228	2.9
757.45587	16.8
758.27606	4.6
758.46100	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	757.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.5
59.01247	18.7
67.74955	0.4
71.01245	0.7
71.16235	0.8
87.00771	0.7
89.02316	0.5
93.03336	1.2
96.95880	2.7
96.98961	0.4
101.02316	0.5
109.02834	1.7
116.92744	1.6
119.04900	0.7
121.02839	23.7
122.03590	1.7
123.04394	0.6
135.04399	1.1
137.02357	0.5
137.05983	0.9
143.04951	0.7
145.06467	1.4
147.04413	0.8
149.05974	4.4
161.05966	1.6
162.06383	0.7
163.07547	6.1
165.05475	64.0
166.05812	2.7
175.15218	0.4
191.05565	0.5
209.08127	9.7
210.08408	0.5
225.07626	100.0
226.08032	3.6
239.09236	0.5
347.88715	0.3
547.19720	3.1
611.34552	0.7
757.37305	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	81.3
60.01565	1.1
61.98708	1.2
69.24162	4.2
69.24581	7.1
74.89935	1.0
78.95810	1.9
85.02805	10.5
87.00742	1.7
93.03317	1.7
96.95874	1.0
98.19737	1.7
106.04132	1.8
107.04919	2.2
108.02070	1.3
119.04905	3.6
133.44719	1.0
138.53513	1.1
145.06500	3.1
147.08037	3.1
149.05975	72.9
150.06377	2.8
151.03831	1.1
161.02328	1.5
162.03172	1.2
175.03827	1.9
176.04671	1.3
176.73219	1.0
177.05545	1.8
178.06264	0.9
179.03426	2.3
189.05446	1.1
190.06271	1.7
191.05449	1.9
191.07048	13.1
192.04263	1.6
192.07462	1.1
194.05809	2.9
205.08630	3.9
207.06596	2.6
208.07336	10.8
209.08121	100.0
210.08455	5.3
219.06650	2.2
223.09676	14.2
224.09984	1.2
234.08946	2.0
249.11157	1.7
341.13864	2.0
355.15390	14.0
356.16260	3.4
357.13144	1.2
357.17081	4.7
373.16589	1.7
415.17627	3.5
503.23566	1.1
547.23431	3.0
565.24463	26.7
566.25073	4.8
607.25653	2.0
659.57703	1.2
739.31354	6.1
757.32111	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	757.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	61.1
60.01584	1.6
61.98682	3.2
71.01257	2.0
71.58382	2.1
78.95806	1.6
85.02803	3.7
96.95889	3.8
107.09171	1.6
121.58067	1.4
134.32976	1.5
135.04390	1.6
146.03609	2.5
147.04431	1.8
147.08035	4.4
149.04840	2.9
149.05980	52.3
150.06342	2.4
161.05890	3.0
162.03143	2.2
163.07617	1.9
165.05453	3.4
177.05418	4.5
179.03395	2.2
191.05534	2.5
209.08130	100.0
210.08397	4.6
211.13283	3.2
223.09689	5.3
225.07649	4.0
547.19800	26.7
548.20215	3.8
699.41058	2.1
773.33856	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	757.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.4
59.01249	26.4
60.01588	0.6
65.23702	0.6
70.80584	0.9
70.80930	1.4
71.01253	1.8
79.40170	0.6
85.02820	2.1
87.00761	1.0
89.56213	0.7
93.03353	1.7
96.95890	2.2
101.02350	1.1
106.04111	0.8
108.02039	1.1
113.02339	0.9
119.04898	9.1
143.04895	3.3
145.02867	1.7
145.06485	14.5
146.03612	0.9
146.06821	1.0
147.04413	100.0
148.04749	3.1
149.05995	17.8
150.03119	1.8
150.06383	0.7
162.03110	2.0
162.06778	1.6
162.95534	0.7
163.03964	0.8
163.07558	6.1
165.05450	2.0
171.04454	2.3
177.05475	1.4
177.09071	1.8
179.07059	1.0
189.05472	9.8
190.05878	0.8
191.07051	1.0
207.06548	18.4
208.06944	0.9
209.06142	1.6
209.08134	30.9
210.08504	1.4
211.13425	0.7
221.08163	2.0
223.09756	2.1
272.63885	0.9
324.99255	0.7
327.12411	1.1
355.11856	0.9
367.11877	0.9
399.62933	0.7
433.45349	0.7
511.17819	1.1
516.95630	0.8
517.19171	1.2
519.20209	2.4
529.18604	4.9
530.19293	1.0
531.20526	0.9
547.20056	2.2
567.22821	2.3
721.26587	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89017	0.5
59.01250	10.8
70.89346	1.0
71.01250	3.0
73.02835	0.6
78.95763	0.7
80.49723	0.4
83.01243	0.5
85.02852	0.5
87.00737	4.0
88.00281	0.5
89.02326	1.2
101.02315	3.7
113.02321	1.2
119.03376	0.8
127.11250	0.6
133.61807	0.5
161.04462	0.9
162.52780	0.5
163.11154	0.5
169.12267	1.3
181.12256	4.0
182.12660	0.6
197.11778	0.8
199.13329	77.8
200.13702	4.3
235.08191	5.8
253.09261	14.9
259.15698	0.7
277.21707	100.0
278.22055	8.2
359.76865	0.5
401.03503	0.6
435.22424	1.2
459.34641	3.1
513.30505	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	12.9
61.98701	6.0
71.58220	6.8
74.96458	3.8
78.95776	6.3
116.65167	4.0
135.10101	4.2
135.93956	4.4
141.79904	5.0
145.54449	3.8
169.12250	100.0
169.46246	4.0
171.10133	24.8
253.09244	7.7
277.21680	65.0
278.22095	7.6
281.27206	4.1
295.53922	4.4
405.21478	7.9
477.31885	5.0
526.50732	4.6
709.42010	8.7
727.42419	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	755.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26815	0.5
58.95440	0.6
59.01249	12.0
59.26538	0.6
71.01248	2.4
71.58254	0.6
73.02817	0.7
78.95764	1.3
89.02302	2.0
97.06409	0.6
101.02319	2.2
106.80409	0.6
113.02284	1.3
116.99664	0.5
119.03308	1.0
119.78015	0.5
152.99438	1.1
161.04396	1.3
163.11147	0.6
169.12288	2.6
181.12233	9.5
199.13327	100.0
200.13618	4.8
213.14801	0.8
235.08180	1.2
253.09253	19.2
254.09482	0.6
263.20157	2.0
277.21710	65.8
278.22040	6.0
435.22147	0.7
459.34698	9.7
459.40634	0.6
460.35187	1.4
513.30786	0.7
520.23511	0.7
659.66211	0.6
756.44421	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96595	1.2
59.01248	6.9
71.01257	2.8
71.13278	2.8
85.02805	2.4
87.24559	1.3
87.70865	1.6
87.73445	1.3
89.02303	2.1
93.03320	1.6
96.95894	2.0
101.02280	2.0
107.01252	1.5
108.02041	2.5
113.02316	2.1
133.29176	1.3
135.04346	2.0
148.01591	1.9
151.00235	5.5
152.01048	1.6
167.03380	2.8
173.04417	2.5
178.99780	3.4
191.05502	14.4
227.03389	2.6
243.02924	11.2
254.02223	3.3
255.02966	24.6
256.03488	1.4
271.02460	58.9
272.02887	5.9
299.01913	2.9
300.02734	100.0
301.03183	11.5
331.23413	1.6
423.67227	1.5
443.12146	1.5
497.27109	1.5
563.13654	1.6
755.20282	45.7
756.21191	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	755.422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	9.8
78.40482	2.0
87.39268	1.9
98.05824	1.9
101.02304	2.8
123.86341	2.4
169.12248	55.8
170.12619	3.2
171.10205	12.3
202.18034	2.2
229.75095	2.6
235.08200	3.3
253.09271	5.9
276.19785	2.0
277.21716	100.0
278.22040	8.8
345.12720	2.5
709.41699	8.3
727.42749	9.3
755.41492	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	753.5125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22790	0.5
59.01249	5.8
61.98695	1.9
71.01237	2.2
72.99180	4.4
73.02804	0.9
75.00745	100.0
76.00272	0.7
76.01088	0.9
81.03333	3.1
83.01251	0.8
83.04894	8.0
85.02806	2.4
87.00733	0.9
89.02322	1.9
93.03344	1.9
98.02377	1.0
101.02303	1.4
107.06030	0.5
107.73396	0.4
108.04408	0.6
113.02322	0.9
119.03445	0.6
125.02399	0.6
127.03927	0.6
135.04393	2.0
149.04533	0.6
161.02368	0.8
170.77132	0.4
173.04451	1.6
179.03413	1.2
179.77238	0.5
191.05531	7.9
192.05865	0.6
201.09192	0.4
224.17632	1.7
225.16028	4.0
229.30812	0.7
240.14552	0.4
242.18848	0.5
290.98480	0.4
317.59436	0.4
325.10654	0.6
333.22876	0.8
340.26059	0.7
371.69269	0.5
450.34531	1.2
451.33231	1.0
543.14624	0.7
559.40216	0.9
649.31000	0.6
673.46832	0.6
675.47864	3.3
677.49585	5.5
678.49683	1.1
692.47437	0.6
693.49054	35.2
694.49261	5.0
709.27051	1.0
753.49908	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	753.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	0.7
59.01247	2.0
60.99178	1.3
67.01756	4.1
69.03315	1.2
69.67504	3.6
71.01244	2.5
76.90109	0.5
81.03313	1.0
83.04904	0.8
85.02811	3.3
87.00748	5.8
93.03333	30.3
94.03635	0.5
98.20520	0.9
99.00768	0.8
99.04407	0.8
109.02794	0.9
111.04407	4.6
112.24300	0.5
113.02321	0.8
117.03349	0.7
127.03941	1.4
129.01859	0.9
134.03632	12.8
137.02351	2.1
149.05997	1.0
155.03430	2.5
173.04465	50.1
174.04834	1.2
185.17859	0.5
191.05533	100.0
192.05884	3.3
193.04982	10.0
316.09061	0.4
318.33966	0.5
367.10309	52.0
368.10883	3.5
784.86615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71584	0.5
57.03316	0.6
59.01254	16.2
61.98685	1.0
66.88440	0.6
68.59960	0.5
70.95863	1.1
70.96192	0.8
71.01249	6.0
72.31339	0.6
72.99201	0.8
73.02818	2.3
78.95760	0.7
81.03310	1.0
83.01261	1.2
83.04887	1.8
85.02840	3.2
87.00729	1.3
89.02315	3.0
89.03851	0.7
93.03336	9.3
93.13208	0.5
95.01242	0.8
95.04887	1.7
95.90377	0.6
96.95873	2.5
101.02317	2.4
105.03341	6.3
106.04166	1.1
109.02845	1.0
111.00808	0.8
111.04412	6.2
112.04699	0.6
113.02315	2.2
119.03366	0.6
121.02871	2.9
123.04375	0.9
124.01529	0.6
125.02306	1.0
127.03912	0.8
127.09473	0.6
132.02011	0.6
133.02855	45.1
134.03659	15.4
135.04443	14.2
136.04803	0.6
137.02347	14.5
139.03917	4.0
143.03348	0.9
149.02330	0.9
149.05981	10.0
150.03099	2.1
151.03902	0.7
155.03412	6.4
159.03119	0.7
159.04413	2.1
160.01556	0.6
161.02371	4.7
161.04445	1.3
163.03940	0.8
165.01776	0.6
173.04483	25.5
174.04796	1.1
175.03896	0.7
176.04707	2.8
176.23172	0.5
177.01852	17.7
177.05267	0.7
178.02637	32.0
179.03412	11.4
191.03679	0.8
191.05470	2.6
191.07101	2.9
193.05003	13.1
203.03468	2.1
205.04956	0.7
207.02998	2.7
209.08141	22.2
210.08476	1.6
278.05725	0.7
295.06039	1.4
337.07294	0.9
339.04971	0.9
351.07190	1.6
367.10410	1.5
369.09775	100.0
370.10141	9.8
543.15063	13.8
544.15436	2.4
577.32184	1.1
649.37891	2.5
667.38715	1.5
691.94989	0.6
709.36768	0.6
753.24518	2.1
773.20483	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90094	0.5
57.03327	0.5
59.01247	8.8
67.01759	0.7
69.03331	0.6
71.01255	4.3
73.02805	1.3
77.03863	0.4
81.03339	0.4
83.01251	0.7
83.04889	1.7
85.02811	1.8
87.00750	1.4
89.02297	1.7
89.03833	0.9
93.03329	8.1
95.01251	0.6
95.04887	1.8
96.95874	1.2
101.02316	2.5
105.03342	5.6
106.04148	0.9
108.02058	1.1
109.02808	1.1
111.00780	0.7
111.04403	5.6
113.02309	1.3
114.02752	0.4
119.03439	0.5
121.02809	2.0
123.04387	0.8
125.02351	1.3
127.03930	0.4
129.01842	0.8
132.02063	1.0
133.02847	48.5
134.03647	16.5
135.04428	13.1
136.04716	0.5
137.02332	12.8
138.02678	0.4
139.03900	3.7
146.03641	0.4
147.04436	0.5
147.08090	0.4
149.02397	0.5
149.05954	4.2
150.03099	1.2
151.03819	0.5
152.01057	0.9
153.01820	0.8
155.03413	6.0
159.04425	1.7
160.01535	0.7
161.02356	4.3
163.03943	0.5
165.01889	0.4
173.04468	25.3
174.04790	0.7
175.03900	1.1
176.04680	2.7
177.01845	18.5
177.09178	0.4
178.02629	32.6
179.03401	10.8
191.03427	1.8
191.05493	2.9
191.07095	2.6
192.04198	0.4
193.04984	16.2
194.05315	0.4
203.03450	1.3
205.96225	0.4
209.08128	8.0
226.17599	0.4
229.65569	0.4
248.72154	0.4
265.05096	0.4
267.06659	0.5
277.05048	0.6
278.05856	0.7
279.06543	0.4
295.06046	1.2
307.52411	0.4
309.26651	0.5
315.07135	1.0
337.07239	0.5
351.07278	1.9
367.10333	0.6
369.09763	100.0
370.10132	7.6
383.06345	0.4
543.15131	12.7
544.15265	1.8
577.32288	1.9
649.38153	2.3
667.39386	1.1
709.38696	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	38.1
61.98692	4.6
69.03323	2.6
69.67899	5.0
69.68304	14.0
71.01257	27.1
71.48850	2.5
72.99180	3.5
73.02802	5.4
73.05674	2.2
83.01265	3.7
85.02839	5.9
87.00789	3.7
89.02315	16.7
95.01245	3.1
96.95904	3.3
97.02820	3.7
100.97236	2.7
101.02332	19.4
113.02316	9.2
119.03370	7.1
121.02903	2.8
125.02355	9.6
143.03362	3.7
161.04428	6.1
161.06006	4.8
171.10196	4.8
179.05492	5.7
183.13806	7.2
211.13289	7.9
217.18806	2.9
223.13399	3.4
235.08197	8.5
253.09320	3.0
268.41483	3.9
275.20090	8.6
293.21237	100.0
294.21533	6.3
305.08905	3.9
397.13507	90.1
398.14011	5.2
415.14505	42.1
416.14996	3.1
558.95245	3.3
691.35486	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	751.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.3
69.11483	0.2
71.01244	1.4
72.99180	3.1
75.00745	100.0
76.01073	1.0
76.19895	0.2
85.02837	0.2
87.00745	0.2
89.02312	1.1
96.95893	0.4
99.00779	0.2
101.02319	1.1
113.02329	0.6
119.03422	0.3
125.02335	0.5
143.03432	0.2
161.04398	0.3
162.44234	0.2
165.64536	0.2
179.05516	0.3
197.77231	0.2
235.08208	0.5
253.09163	0.2
259.13104	0.2
277.21722	3.2
278.21930	0.3
287.07837	0.2
312.62259	0.2
363.42175	0.2
397.13504	6.7
398.13824	0.7
415.14499	2.1
506.98401	0.2
675.36157	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83587	0.2
59.01256	1.2
70.89263	0.3
71.01245	1.4
72.99182	3.5
73.99502	0.2
74.00485	0.2
75.00743	100.0
76.01083	0.9
83.01244	0.2
85.02831	0.2
87.00726	0.3
89.02327	0.9
94.98087	0.1
97.02831	0.2
101.02306	0.8
106.92409	0.1
113.02345	0.5
119.03418	0.3
125.02312	0.3
161.04434	0.3
179.05586	0.2
202.49518	0.1
221.06516	0.2
224.41718	0.1
224.96068	0.1
235.08223	0.6
253.09383	0.2
273.38095	0.1
277.09741	0.2
277.21698	2.8
278.22092	0.4
287.07916	0.2
293.21378	0.2
305.08847	0.2
311.32883	0.2
313.60208	0.2
336.79715	0.2
397.13477	6.1
398.13977	0.5
415.14493	2.1
426.97211	0.2
427.02689	0.1
487.00116	0.2
537.73389	0.2
675.36090	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.6
57.28329	0.9
59.01249	100.0
60.01581	1.7
70.48505	2.2
70.97249	0.9
71.00887	1.8
71.01255	22.5
72.99188	1.9
73.02818	6.2
74.94989	1.1
78.95746	1.0
83.01262	2.8
85.02807	7.9
87.00752	3.6
87.66050	1.0
89.02313	10.5
91.34017	1.1
93.03333	4.7
95.01241	1.2
96.95859	3.9
99.00734	2.2
101.02316	15.1
102.02568	1.0
111.04390	2.4
113.02332	9.7
119.03379	3.7
133.02847	4.2
134.03610	2.3
135.04378	3.0
137.02335	1.4
143.03395	1.2
147.04391	2.1
149.04420	2.5
155.03333	1.0
161.04466	2.6
164.30280	1.0
173.04453	7.1
177.01857	2.1
178.02612	2.2
179.03383	1.5
179.05516	1.5
191.03381	1.0
191.05547	5.6
193.05016	3.1
195.13808	1.5
207.06508	1.6
213.14807	0.9
289.16556	8.1
331.17480	2.3
368.11395	2.6
369.09769	7.7
371.24240	1.9
375.20212	33.4
376.20416	2.0
385.26434	1.0
485.31021	1.5
543.15771	1.5
575.30682	9.9
601.42975	1.1
647.36481	7.1
665.37402	7.3
707.36902	3.6
708.37018	1.3
751.37390	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	751.303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44349	0.5
55.01762	1.9
57.03321	3.1
58.00459	1.3
59.01249	100.0
60.01596	1.2
61.98710	1.0
66.45895	0.6
68.99697	0.7
69.03313	2.2
71.01253	38.9
71.58326	0.6
72.01601	1.0
72.56143	0.6
72.99195	2.8
73.02812	10.4
74.20238	0.6
78.55647	0.8
78.95808	0.8
81.03372	0.8
83.01253	6.2
83.01620	0.5
83.04929	0.7
83.94682	0.7
85.02819	20.0
85.99955	0.6
87.00759	4.8
87.04408	2.7
89.02315	16.3
90.02657	0.8
93.03359	2.3
95.01252	5.9
96.95889	6.9
97.02841	3.9
99.00751	4.1
101.02321	20.8
101.05972	1.3
111.00780	1.0
112.01571	1.1
113.02329	25.3
114.02635	1.4
119.03411	6.0
121.02829	1.0
122.03683	0.7
123.04427	0.7
124.00730	0.7
124.01478	3.3
125.02325	12.3
129.01756	0.8
131.03392	1.4
132.91380	0.7
133.02869	1.6
134.03625	1.0
135.04443	1.9
136.01505	0.7
137.02351	1.0
139.00294	0.7
143.03386	6.0
143.04230	0.6
147.04482	0.8
149.02327	3.4
149.04520	2.3
149.06050	1.1
150.03134	7.8
151.03868	0.9
159.02972	1.0
159.04492	0.6
161.04462	7.1
163.03923	0.9
164.04735	1.2
165.05522	6.1
167.03456	0.6
173.04526	3.0
177.01886	2.2
179.03391	1.4
179.05573	1.8
191.03638	1.2
191.05582	5.3
193.05003	0.8
195.06473	3.4
208.03708	0.8
269.04364	0.6
329.14081	1.3
353.08951	0.9
399.23862	6.3
417.24960	6.7
418.25275	1.1
427.53384	0.7
459.26801	0.8
477.18961	1.2
507.20007	1.0
520.59308	0.7
525.27545	1.5
543.28149	25.0
544.28320	4.5
561.29126	55.8
562.29419	6.6
575.30933	2.7
579.30212	17.9
580.30719	2.2
603.30219	11.6
604.30481	1.4
619.35266	1.2
621.31226	21.0
621.41278	1.2
622.31683	3.4
647.36450	2.8
655.25836	1.7
663.32916	1.3
665.37762	2.3
685.27435	1.1
700.87195	0.7
707.35846	2.1
751.30347	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	751.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	3.5
58.00478	2.6
59.01248	98.1
69.53691	12.2
71.01251	74.2
72.01572	2.2
72.99182	6.4
73.02813	28.9
75.77615	1.9
79.90186	1.7
81.61203	1.6
83.01265	6.0
85.02812	14.3
87.00754	7.0
89.02312	100.0
90.98057	1.7
93.03352	3.8
95.01266	3.5
96.95893	7.1
97.02850	2.6
98.20518	3.2
99.00751	31.0
101.02319	63.7
101.02993	3.1
113.02327	24.6
119.03384	9.9
123.04431	2.2
125.02345	7.9
130.92033	1.8
131.03386	17.0
131.46062	2.0
135.04347	2.7
143.03403	2.9
149.04457	71.0
150.04834	1.9
161.04456	11.3
173.04489	7.7
179.05545	9.0
191.05545	28.8
194.68169	1.7
221.06630	3.9
233.06593	3.5
251.07635	6.2
290.14639	1.9
293.08768	3.3
311.09933	3.9
353.19708	6.1
413.49881	2.0
485.23758	10.3
527.25116	9.8
617.26312	3.1
647.29156	22.6
648.29358	2.6
665.30298	17.8
666.30750	2.3
707.31012	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	745.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67796	1.0
57.03308	1.2
59.01247	28.3
71.01257	19.6
73.02823	4.9
78.78874	0.8
81.57082	0.9
83.01248	2.1
85.02812	4.1
87.00716	1.2
89.02314	16.8
92.88135	0.9
93.03335	4.7
95.01252	2.1
95.04940	1.0
96.95866	2.2
101.02310	12.8
109.02779	1.3
113.02332	11.4
119.03399	6.8
120.01141	13.0
121.02843	12.7
122.03607	14.1
123.00812	1.7
123.04414	2.1
124.01530	1.5
125.02317	2.9
131.03427	1.2
133.02823	2.0
134.03653	2.0
135.04422	8.9
136.01549	21.8
137.02303	4.0
143.03412	1.8
146.03639	1.4
147.04448	1.6
149.02338	29.2
149.04321	1.3
149.05919	1.2
150.03127	97.4
151.00264	4.6
151.03925	26.4
152.01035	1.5
153.01756	1.5
154.02594	1.5
161.02339	1.8
161.04436	3.6
163.03896	3.6
164.04691	7.6
165.05482	100.0
166.02637	15.4
166.05803	4.0
167.03329	3.4
172.05266	2.3
173.04466	1.0
175.03918	4.8
175.07526	1.5
177.05518	2.0
179.05496	3.2
180.04240	5.8
181.04977	20.1
182.05362	1.1
189.05489	3.0
190.06300	6.9
191.05469	3.3
191.07028	1.4
195.06552	69.2
196.06920	3.5
205.05037	1.2
205.08559	1.5
250.50858	0.8
265.40085	1.1
266.05734	1.0
299.05283	1.0
309.07739	1.2
314.08102	1.1
315.08502	1.6
329.10220	2.7
339.08719	2.6
342.10934	1.7
355.11682	1.1
356.12479	2.7
357.09708	3.8
357.13385	10.7
369.13446	4.4
370.76266	1.0
372.12057	3.9
373.12741	2.2
386.13510	1.3
387.14490	56.1
388.14911	7.4
490.15939	1.3
497.27490	1.3
505.18515	3.9
535.19702	65.9
536.19989	10.2
553.20605	1.9
565.20935	3.9
583.21857	39.2
584.22144	6.4
621.47339	1.0
641.31226	1.3
643.32947	2.9
659.32672	2.1
701.35583	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96572	0.8
59.01235	2.4
66.48895	0.6
71.01247	1.6
73.02815	1.2
75.00653	0.6
77.42992	0.5
85.02823	1.9
85.41717	0.6
89.02298	1.5
93.03360	1.3
96.95860	1.2
113.02313	1.0
121.02837	4.5
131.03323	0.7
135.04398	3.9
136.01511	1.1
137.02339	5.6
149.02336	28.0
151.03854	1.5
152.01015	6.1
163.03949	5.9
164.01025	0.7
164.04703	17.4
165.01830	49.8
166.02322	1.5
167.03403	1.2
167.33432	0.6
169.05002	3.8
173.04382	0.8
179.03377	10.0
179.07011	6.8
180.04185	33.6
181.04718	2.1
190.02675	0.7
191.05492	2.7
193.01331	15.4
194.01692	1.2
194.05748	1.8
195.02809	1.1
195.06548	38.0
196.06912	1.8
206.05821	1.0
208.03699	36.9
209.04074	1.9
210.05269	6.6
211.05859	0.8
223.06058	100.0
224.06427	4.9
225.07619	39.3
226.07994	1.0
265.07181	3.5
265.60074	0.7
337.09244	0.7
342.11185	1.1
358.70328	0.6
401.12350	6.2
445.12851	0.7
449.14484	51.3
450.14767	5.4
491.15497	1.2
581.18475	3.6
611.19946	1.8
743.23706	5.8
744.24182	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
61.98701	3.0
71.01248	3.8
73.02801	3.8
83.88828	2.4
85.02811	15.7
93.03324	3.3
96.95881	6.3
98.20653	4.2
104.66643	2.8
119.04904	6.9
135.04451	2.7
145.06468	2.3
146.03633	5.4
147.04393	5.0
149.04823	4.8
149.05986	69.1
149.07178	4.0
150.06303	3.0
161.05972	4.6
163.03920	3.3
165.05518	5.0
165.12831	2.7
179.07062	4.5
191.07126	2.9
194.70702	2.3
205.08768	3.9
209.08115	38.1
210.08510	3.8
240.04195	24.9
241.04976	14.4
255.06569	72.1
256.07346	29.4
270.08932	97.4
271.09375	5.1
311.12997	3.3
354.64017	3.2
362.17300	3.4
401.16110	14.9
429.15439	11.1
443.17056	62.4
444.17557	7.3
469.18710	8.1
495.29889	6.2
533.21783	23.8
534.22284	3.6
551.22577	10.0
575.22748	47.9
576.23315	6.5
578.67755	3.4
593.23834	33.7
594.24078	4.1
707.10754	3.1
707.28094	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	741.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.7
58.00476	0.5
59.01248	4.9
60.33066	0.5
70.05332	0.5
70.71796	1.1
70.72165	0.9
71.01241	3.5
73.02821	1.4
80.02558	0.8
81.03322	0.6
83.04893	3.8
85.02821	1.2
87.00769	1.0
87.41534	0.5
89.02338	2.7
93.03257	0.5
101.02315	3.5
106.21245	0.5
113.02316	2.2
122.70676	0.5
125.09612	1.8
127.11165	2.3
155.10699	0.7
161.04474	1.7
163.09985	0.5
163.11140	2.5
165.12759	2.2
171.10152	2.1
179.05542	1.1
191.10765	0.8
199.09821	0.6
201.11258	41.1
202.11583	2.3
209.11768	96.6
210.12105	4.2
225.11212	0.6
227.12837	10.8
235.08212	6.6
245.13802	0.7
253.09274	16.4
255.14386	0.5
259.20773	0.5
277.21701	100.0
278.22070	8.1
318.38785	0.6
419.19092	0.8
437.20273	1.9
443.31613	1.0
445.20822	1.4
461.32571	0.7
513.30585	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	37.5
60.01583	0.4
60.99180	0.3
71.19928	0.6
85.02855	0.3
96.95900	0.5
106.04131	1.5
107.04913	0.9
108.02043	0.6
118.96519	0.3
135.04402	0.7
145.06499	0.6
147.08057	2.1
149.05980	46.5
149.31546	0.3
150.06322	1.7
163.07584	0.3
165.05568	0.4
177.09158	0.4
179.03461	0.6
186.65160	0.3
189.71114	0.3
206.11719	0.3
209.08131	100.0
210.08482	5.8
259.31003	0.3
267.78992	0.3
273.18381	0.3
381.13345	0.5
471.18005	0.4
476.52347	0.3
531.19946	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61874	0.2
59.01247	37.2
60.01580	0.3
71.45010	0.4
78.86309	0.2
84.52811	0.2
93.03338	0.2
106.04113	1.6
107.04929	0.7
147.08043	2.6
149.05978	47.3
150.06349	2.2
163.07530	0.5
186.83095	0.2
209.08124	100.0
210.08458	6.2
252.60347	0.2
307.09641	0.4
435.54181	0.2
471.17743	0.4
520.78589	0.2
531.20111	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.7
57.11077	0.6
58.00462	1.7
59.01250	23.0
61.98692	2.7
67.38643	0.6
70.24764	0.7
70.97359	0.8
70.97701	1.3
71.01250	15.6
72.99184	1.1
73.02834	1.9
83.01255	3.5
85.02820	4.1
87.00732	1.4
89.02316	10.0
92.08831	0.5
93.03332	1.3
93.41519	0.6
95.01293	1.3
95.04896	0.8
96.95903	1.6
99.00743	0.8
101.02321	7.8
107.04920	1.2
108.02052	26.0
109.02829	1.0
111.04433	1.2
113.02332	6.0
119.03410	4.2
123.04402	14.7
125.02316	1.6
127.68857	0.6
134.03622	0.8
135.04391	1.4
135.57875	0.6
143.03407	1.3
149.04445	0.5
149.05971	1.1
152.01054	60.7
153.01416	1.2
161.02399	0.8
161.04451	1.6
161.13295	4.7
165.01862	0.6
167.03407	100.0
168.03685	3.3
173.04456	1.6
179.03430	0.9
179.05524	3.6
185.21973	0.7
187.11211	6.3
191.03981	0.6
191.05490	3.7
193.04951	1.0
205.12274	4.7
229.12273	1.9
231.10176	1.1
249.11305	3.7
273.11368	1.0
291.12357	0.9
302.20819	0.6
315.12341	1.7
315.44806	0.6
333.13470	1.4
349.16702	0.8
393.15558	6.2
411.16638	1.1
417.28091	0.7
517.20679	3.1
561.19751	7.7
562.20270	1.2
573.22076	4.6
639.30554	0.9
741.26062	18.9
742.26385	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	741.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00253	0.7
57.03308	1.0
58.00464	0.9
59.01249	27.6
61.98708	1.0
71.01253	18.6
71.58139	0.6
72.99197	2.0
73.02818	3.2
75.00774	0.8
78.95774	0.8
81.03362	0.8
83.01247	5.1
83.04906	1.8
85.02804	5.7
87.00742	1.8
89.02312	14.7
93.03345	1.7
95.01269	1.5
96.95913	2.0
99.00771	1.4
99.04438	1.2
101.02316	12.4
108.02048	27.2
109.02863	1.1
111.00780	0.8
111.04361	0.8
113.02335	8.8
113.62925	0.7
116.42401	0.8
119.03383	7.1
119.04946	1.0
121.06500	0.9
123.04410	11.8
124.01688	0.9
125.02296	1.9
131.03387	1.9
133.02917	1.1
135.04437	2.3
143.03418	1.9
145.02913	1.1
147.04407	1.0
149.02402	0.8
149.04439	0.8
149.06029	1.3
152.01048	52.5
153.01572	1.5
155.03310	0.9
161.02284	1.1
161.04489	2.6
161.13289	4.2
165.05484	1.2
167.03407	100.0
168.03780	2.8
173.04480	2.4
173.05920	1.0
179.03409	2.2
179.05569	5.4
184.20718	0.8
187.11217	6.3
189.05493	1.0
191.05544	6.9
193.05096	0.9
197.04329	0.9
205.12277	6.2
207.03003	0.9
210.53911	0.8
221.06586	1.0
229.12206	1.8
249.11281	4.1
255.10486	0.8
265.19604	1.0
273.11246	1.2
291.12341	1.1
297.11362	0.9
303.80261	0.8
315.12357	2.1
329.23169	1.2
333.13544	1.9
344.46158	0.8
375.27536	5.6
393.15457	8.2
411.16397	1.1
417.28400	1.2
475.29404	1.2
493.24823	0.9
517.20813	1.9
519.31769	2.5
537.32782	12.8
550.16089	0.9
561.19910	7.9
562.20032	1.9
573.21851	7.5
574.22302	0.8
579.33759	5.4
741.26074	12.0
742.26544	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	741.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.7
57.03337	0.6
58.00469	1.2
59.00946	1.2
59.01248	23.9
59.33732	0.5
61.98689	1.1
71.01251	16.7
71.58176	0.5
71.58542	0.6
72.99172	1.9
73.02814	1.9
81.03323	0.7
83.01245	4.1
85.02816	5.4
87.00743	1.3
89.02311	11.8
91.64001	0.4
93.03311	1.5
95.01260	1.4
95.04901	1.0
96.95874	2.3
97.02847	0.9
99.00764	0.6
99.04359	0.7
101.02321	8.5
107.04922	1.0
108.02051	29.6
109.02860	0.8
111.00766	0.6
111.04364	1.0
113.02335	6.4
119.03389	5.7
122.03622	1.2
123.04408	13.7
125.02283	1.3
133.02840	0.5
134.03574	0.6
135.04430	1.3
137.02286	0.8
143.03389	1.5
149.02324	1.1
149.04544	0.9
149.05925	0.7
152.01053	59.0
153.01498	2.2
154.09219	0.5
157.06488	0.9
161.04468	2.0
161.13252	4.9
165.01913	0.6
167.03404	100.0
168.03755	3.0
169.01379	0.5
173.04478	1.8
175.03889	0.6
177.01891	0.8
178.02568	0.7
179.03412	1.0
179.05521	4.6
187.09705	0.9
187.11209	7.4
191.05534	3.6
193.04939	0.7
205.05038	0.7
205.12299	4.9
207.02942	0.9
209.04575	0.8
213.09177	0.5
223.05991	0.6
229.12228	1.9
231.10292	0.7
247.13370	0.6
249.11363	3.1
253.12166	0.7
255.10406	0.6
273.11273	1.1
291.12280	1.4
315.12457	1.6
329.08719	0.8
333.13531	1.6
349.16168	0.6
353.08890	0.5
356.21817	0.5
375.27155	0.8
393.15536	6.8
394.15887	0.8
411.16425	1.3
517.20581	2.8
537.32886	0.9
561.19757	8.7
562.19867	1.4
573.21710	4.2
574.21832	0.9
741.26123	20.3
741.39441	1.3
742.26440	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	741.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.4
59.01251	9.1
60.01588	0.4
61.39952	0.3
61.98703	1.1
69.03320	0.4
69.25102	2.3
69.25526	1.3
71.01247	1.2
77.03827	2.2
78.10485	0.3
79.68992	0.3
83.04910	0.6
83.86356	0.3
85.02821	0.4
87.00816	0.4
89.02301	0.5
90.36333	0.3
93.03341	0.4
97.02843	0.8
98.19743	0.6
101.02328	1.1
111.08045	0.3
113.02272	0.6
121.02837	100.0
122.03187	3.1
136.30438	0.3
137.02429	0.4
141.01599	6.4
161.04524	0.5
163.11203	0.7
165.01837	75.0
166.02219	2.2
171.10219	0.6
181.06458	2.7
183.13802	2.7
191.03447	1.9
195.13849	2.0
197.05942	0.5
197.11716	1.0
209.11766	8.7
209.15244	0.4
210.12071	1.0
211.13257	0.5
213.14897	16.6
225.05515	1.9
227.12842	2.9
228.13147	0.6
235.08202	1.4
244.15556	0.5
247.20691	0.4
249.14966	0.5
251.16489	0.4
253.09229	5.2
277.21729	8.6
278.21921	1.9
291.19693	3.9
309.20706	7.8
313.07135	2.2
344.70425	0.4
357.06119	10.5
358.06558	0.8
463.26010	0.4
505.35370	0.5
655.93579	0.4
741.14502	4.7
742.14490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.1
60.01595	0.2
61.98701	100.0
62.98400	0.2
65.54578	0.1
71.01250	0.7
72.01589	0.2
73.02814	0.1
85.02824	0.2
87.00708	0.1
89.02344	0.3
97.02886	0.2
101.02353	0.4
113.02318	0.2
125.55418	0.1
158.16293	0.1
161.42735	0.1
237.08522	0.1
275.68793	0.1
279.23251	0.9
280.23618	1.2
281.23917	0.6
282.24265	0.1
397.13177	0.6
398.13776	0.6
399.13986	1.4
400.14319	0.8
415.14783	0.2
416.14975	0.3
417.15427	0.4
418.15198	0.2
484.03568	0.2
566.65063	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47683	0.1
55.64293	0.1
56.14905	0.1
59.01247	2.7
60.01573	0.2
61.01664	0.1
61.98700	100.0
62.98408	0.2
68.05052	0.1
71.01251	0.2
71.08041	0.2
71.08364	0.1
81.03326	0.7
82.03690	0.1
83.04890	1.6
84.05244	0.5
84.78173	0.1
89.02323	0.3
93.03370	0.2
96.95879	0.1
101.02317	0.2
104.57603	0.1
108.02064	0.2
110.95831	0.1
119.04996	0.1
123.04379	0.1
125.07122	0.1
135.04431	0.2
152.01065	0.5
167.03473	0.8
173.04559	0.4
191.05524	1.0
224.17720	0.2
225.16000	0.9
226.16357	0.9
227.16672	0.3
329.09406	0.1
348.16946	0.1
379.12067	0.1
434.32288	0.2
452.33612	0.4
453.33817	0.4
454.33694	0.2
662.49127	0.2
677.50128	0.3
678.49927	1.4
679.50208	6.3
680.50537	10.6
681.51141	0.5
740.49115	1.1
741.49377	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93065	1.4
59.01236	6.4
71.01270	9.3
71.01588	1.9
73.02792	1.7
78.95779	3.3
79.36559	1.2
87.00764	2.6
87.68001	1.2
89.02329	4.5
95.04906	1.4
97.02794	2.7
98.19731	2.9
99.00770	7.8
101.02323	4.4
108.90028	1.3
109.06465	1.9
109.07863	1.3
113.02351	1.4
119.03350	2.2
125.09631	5.1
127.11208	2.3
151.12509	1.3
161.04523	1.9
163.11134	5.1
170.75230	1.4
171.10176	84.2
172.10519	4.4
179.05527	1.6
179.10716	1.4
181.12245	3.9
189.09123	1.5
197.11755	7.3
198.12047	2.1
199.09595	1.4
199.13351	14.3
201.11147	3.2
207.10225	18.6
215.12785	1.7
225.11261	47.2
226.11761	1.4
235.08151	4.2
243.12239	7.7
248.86542	1.4
253.09209	11.0
277.21710	100.0
278.22055	9.4
279.22659	2.4
342.86816	1.7
407.19281	1.7
443.19547	2.4
461.20026	11.0
721.41498	4.8
738.41217	2.1
739.42316	44.5
740.42664	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	739.427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.6
59.01241	10.9
59.23835	1.4
59.74388	1.4
61.98674	1.6
68.00198	1.4
71.01245	11.1
71.04889	1.9
71.58444	1.9
73.02809	1.8
73.56147	1.4
78.95765	5.1
85.02833	1.5
87.00755	1.7
89.02297	4.0
94.12518	1.3
97.02831	7.2
97.06445	3.1
99.00747	22.9
101.02298	4.7
110.03596	2.4
113.02343	1.8
125.09603	7.2
137.09689	1.4
163.11115	8.7
171.10193	13.9
181.10770	2.2
181.12231	16.4
197.11731	6.7
198.12131	1.5
199.09592	2.7
199.13286	5.7
201.11237	5.9
207.10187	42.9
225.11259	83.5
225.82561	1.7
226.11624	4.7
235.08176	4.3
243.12364	32.1
253.09212	6.3
277.21713	100.0
278.22086	9.3
291.77954	1.6
312.45380	1.5
443.19342	3.1
461.20166	9.5
479.21158	5.6
480.90237	1.5
721.41846	13.8
739.42633	75.4
740.42908	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	739.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76328	1.0
53.38166	1.2
57.03312	1.5
59.01250	9.7
70.60706	2.6
70.61101	2.6
71.01252	8.8
71.04870	3.0
73.02827	2.3
75.19896	1.0
78.59394	1.3
78.95760	2.1
83.01227	1.8
83.04873	1.2
85.02820	2.6
86.37125	1.1
87.00713	2.6
89.02299	3.6
95.01244	1.2
96.18943	0.9
97.02819	4.1
97.06463	3.1
99.00748	16.1
101.02325	5.7
101.52116	1.1
109.06481	1.9
110.03577	1.3
113.02317	2.6
113.45253	1.0
119.03423	1.3
123.08037	1.3
125.09620	8.3
132.15770	1.2
142.02600	1.3
163.11185	9.9
171.10190	7.4
181.12265	16.2
197.11691	2.2
199.13351	12.1
201.11258	2.1
201.65048	0.9
207.10202	39.2
208.10486	2.4
211.18817	1.3
225.11264	59.5
226.11581	3.1
235.08185	3.1
243.12299	8.7
253.09236	6.2
277.21719	91.5
278.22052	7.5
282.39398	1.0
443.19208	2.5
461.20093	12.8
479.21133	2.7
501.51437	1.1
637.98785	1.1
721.41583	7.6
722.42383	1.6
739.42712	100.0
740.42889	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	739.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	5.0
71.01250	6.3
71.20530	0.9
72.99139	0.6
73.02815	0.9
78.11922	0.6
78.18693	0.5
83.04879	0.6
85.02817	1.2
87.00762	0.6
89.02299	2.6
95.01251	0.8
95.04890	1.5
97.02814	1.4
101.02328	3.2
109.06470	1.7
110.03626	0.8
111.04391	0.7
113.02330	2.0
119.03429	0.7
125.09612	1.0
127.11165	1.8
145.05038	0.6
161.09689	0.6
163.11171	3.6
171.10179	100.0
172.10550	3.7
174.01610	0.6
179.05498	1.5
179.10658	0.6
181.12183	1.3
189.09138	1.8
190.06119	0.5
197.11803	1.2
199.13304	2.4
201.11250	0.9
207.10172	8.9
225.11263	42.3
226.11569	1.5
235.08215	3.7
243.12312	3.5
253.09232	9.2
270.25473	0.6
277.21713	73.4
278.22049	4.8
279.23318	0.6
407.19205	3.4
443.19189	3.4
461.20230	8.8
462.20529	0.8
500.09747	0.7
512.21692	0.6
513.30725	1.1
552.79193	0.6
650.07300	0.6
721.41974	3.0
722.41730	0.8
739.42865	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78976	1.2
60.99164	1.5
61.09010	1.1
69.51550	2.4
69.51952	7.4
71.01266	1.9
72.99162	1.8
81.03321	1.8
85.02827	4.7
87.00751	3.4
93.03330	15.3
98.20472	2.5
109.02822	2.3
111.04401	2.8
117.22413	1.1
119.87355	1.2
121.02843	3.5
121.95119	1.3
123.04424	6.0
127.03922	1.6
132.52527	1.2
133.02875	2.6
135.04419	6.7
137.02325	2.1
139.03914	4.1
149.02380	7.8
151.03903	2.0
153.01784	1.5
155.03447	1.9
165.01796	1.4
167.03421	1.6
173.04462	14.9
176.01070	1.4
177.01855	6.3
177.27518	1.2
179.03394	5.1
191.05530	100.0
192.05817	3.5
193.01353	13.1
195.02937	2.8
196.95789	1.3
211.02397	2.0
223.04581	1.5
266.86942	1.2
295.08710	1.1
351.07159	3.6
353.08829	8.9
367.06671	2.5
368.07309	2.3
369.08160	11.2
385.07816	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	739.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45723	0.4
58.00460	0.9
58.47985	0.4
58.48460	0.4
59.01249	100.0
60.01588	1.2
66.77987	0.4
69.03319	0.8
71.01251	31.5
71.58213	0.4
71.58558	0.5
72.01654	0.7
72.02037	0.6
72.99191	0.8
73.02814	44.9
75.00739	0.5
81.94086	0.4
83.01255	14.5
85.02823	4.3
87.00748	1.1
89.02316	9.6
93.03348	0.4
95.01276	1.5
96.95869	0.6
99.00762	0.5
101.02319	46.3
101.20940	0.4
102.02647	0.6
113.01537	0.9
113.02325	16.7
114.02631	0.5
118.28976	0.4
119.03383	4.7
125.02306	3.3
131.03394	4.9
131.07329	0.5
143.03377	5.3
149.04462	9.0
155.03400	0.9
161.04457	14.5
173.04424	0.9
191.03802	0.6
191.05614	1.5
193.05078	1.2
203.05592	1.7
209.04395	0.5
221.06558	3.7
231.13919	0.5
260.97363	0.4
267.80179	0.4
279.61932	0.4
283.11899	0.5
329.10196	0.6
337.09427	0.5
357.11823	0.5
392.74423	0.4
607.12427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	12.3
57.11886	1.3
59.01249	40.2
59.76144	1.1
69.03313	1.4
71.38263	1.2
71.58464	2.1
78.95753	1.8
78.98435	1.4
80.48428	1.4
80.96384	5.3
87.00748	3.6
93.03320	6.4
96.95872	5.2
106.04142	1.1
113.74056	1.1
119.04057	1.3
119.04918	20.2
121.02907	1.3
134.03714	1.3
143.04903	5.5
145.06494	59.1
146.06839	2.6
147.04413	100.0
147.08075	2.0
148.04787	3.6
149.05983	35.8
156.07544	1.2
161.06030	2.1
161.38467	1.1
163.06239	2.0
163.07555	36.3
164.98441	1.2
207.06558	80.9
208.06828	3.7
209.08130	77.9
210.08432	3.6
491.30188	3.2
529.18762	1.5
739.36224	6.7
740.35773	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	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66344	0.5
56.35931	0.5
59.01246	4.9
60.35868	0.4
69.68421	2.8
71.01245	5.0
72.99190	0.7
73.02811	1.2
81.03303	0.5
85.02821	0.8
87.00748	1.1
89.02311	2.1
95.01238	0.5
95.04873	1.1
97.02823	0.9
101.02316	3.1
109.06452	1.3
110.03603	0.7
111.04354	0.5
111.47678	0.4
113.02323	1.8
119.03389	0.7
125.09635	0.9
127.11124	0.8
143.03363	0.6
145.04900	0.7
161.04443	1.6
161.09592	0.6
163.11182	1.6
171.10175	64.9
172.10509	2.3
179.10709	0.5
181.12251	0.6
184.74167	0.5
189.09079	1.1
199.13344	0.6
207.10185	4.7
225.11264	23.0
226.11653	0.8
235.08162	8.0
243.12419	2.2
253.09291	9.4
272.35632	0.5
275.20062	0.6
277.21713	100.0
278.22040	6.8
279.23248	1.2
407.19250	0.9
443.19189	3.2
461.20303	1.5
481.01431	0.5
513.30536	1.3
721.41150	1.5
739.42316	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.1
57.42009	0.1
59.01247	1.2
60.01580	0.1
61.01656	0.1
61.98700	100.0
62.98410	0.1
71.01254	0.8
72.99187	0.1
73.02827	0.2
80.37215	0.1
83.01278	0.1
85.02834	0.1
87.00783	0.2
89.02300	0.7
90.02691	0.1
91.02737	0.1
97.02859	0.1
101.02322	0.7
102.02674	0.1
113.02339	0.3
114.02660	0.1
115.63660	0.1
119.03403	0.2
125.02341	0.2
143.03421	0.1
161.04478	0.1
179.05502	0.1
220.47617	0.1
235.08226	0.2
236.08482	0.2
238.08916	0.1
277.21674	0.9
278.22052	1.4
278.24960	0.1
279.22372	0.6
280.22726	0.2
287.07703	0.1
309.66040	0.1
315.68427	0.1
322.75974	0.1
373.91855	0.1
397.13376	0.6
398.13824	1.0
399.14017	1.5
400.14340	0.6
415.14734	0.2
416.14957	0.3
417.14999	0.5
418.15530	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.1
57.03315	0.8
57.24897	0.6
59.01246	8.4
60.80975	0.5
69.03320	3.8
70.16178	1.6
70.16547	0.9
71.01250	5.6
71.04894	2.2
72.06158	0.5
73.02827	1.3
83.01256	0.9
83.04870	0.6
85.02826	1.5
85.65437	0.5
87.00757	1.3
89.02301	3.6
97.06464	1.0
99.00771	0.7
101.02319	5.1
107.04867	0.7
113.02313	1.9
119.03381	1.3
123.08051	1.2
125.09588	2.5
143.03464	0.6
144.13269	0.5
151.11200	1.9
153.12744	2.3
161.04474	1.8
161.09674	3.3
162.21407	0.5
169.12254	2.2
179.10698	7.2
185.11775	0.8
197.11761	100.0
198.12097	5.5
205.08696	0.7
205.59416	0.6
223.09712	2.7
226.17461	0.5
235.08157	0.9
241.10818	5.3
253.09311	3.8
277.21707	39.6
278.22031	3.5
290.58783	0.5
377.64697	0.7
442.91296	0.6
459.18976	0.9
477.19650	3.5
575.36249	0.9
719.40369	0.9
737.41132	100.0
738.41400	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47413	0.1
59.01246	1.0
60.01588	0.2
61.01689	0.1
61.98700	100.0
62.98389	0.1
71.01251	0.8
73.02821	0.3
83.01263	0.1
85.02872	0.1
87.00723	0.1
89.02325	0.5
91.02757	0.1
97.02867	0.2
98.20638	0.2
101.02321	0.6
102.02682	0.2
113.02348	0.4
119.03399	0.2
142.33275	0.1
168.26155	0.1
209.11942	0.2
224.13062	0.1
235.08237	0.2
237.08719	0.1
277.21689	1.0
278.22021	1.3
279.22299	0.7
280.22678	0.2
397.13428	0.8
398.13864	1.1
399.13943	1.4
399.18164	0.1
400.14264	0.7
410.79041	0.1
415.14713	0.2
416.15091	0.2
417.15219	0.4
418.15482	0.2
498.45700	0.1
598.39276	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04594	0.6
55.01732	0.7
59.01249	9.6
60.04596	0.6
61.98697	1.4
69.03320	7.0
69.38421	6.2
71.01247	6.7
71.04876	1.8
73.02817	1.3
83.04900	0.9
85.02812	2.3
87.00742	1.3
89.02296	3.5
95.01254	1.0
97.06482	1.1
98.19736	1.1
101.02321	5.6
111.04411	0.8
113.02316	2.3
123.08039	2.0
125.09610	2.2
149.09596	1.2
151.11192	4.2
153.12711	1.1
161.04437	1.1
161.09644	6.1
169.12244	1.6
175.23965	0.7
179.10704	10.7
180.11038	0.9
197.11777	52.1
198.12053	1.7
223.09811	1.5
229.79874	0.9
241.10722	2.5
253.09314	4.1
277.21716	65.3
278.22006	5.3
327.16998	0.7
379.28500	1.0
459.18753	1.8
477.19901	2.0
533.32904	0.8
737.41119	100.0
738.41473	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	735.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40175	2.0
55.01760	4.3
57.03314	2.8
57.74653	1.9
58.00449	2.3
59.01249	100.0
61.98701	4.0
67.43390	2.1
69.03304	2.8
71.01252	45.5
71.57597	3.6
71.57952	2.0
72.99200	4.2
73.02832	10.3
75.00732	3.0
78.95801	5.8
81.03333	3.4
83.01262	9.0
85.02826	24.1
87.00768	8.4
89.02317	20.1
93.03352	5.3
95.01256	5.7
96.95893	8.1
99.00770	7.6
101.02322	33.0
111.00744	4.2
112.01586	2.5
113.02320	26.8
119.03378	7.0
124.01563	3.8
125.02334	6.6
135.04445	2.1
140.33316	1.9
140.37263	1.9
143.03387	4.6
149.04489	3.9
152.99472	4.1
161.04466	4.0
173.04482	3.9
191.05519	7.5
225.85562	2.0
373.05524	2.3
382.26962	2.1
469.32101	4.3
487.32748	7.1
559.30927	6.4
606.75531	2.1
631.36938	93.2
632.37311	11.3
649.38007	65.8
650.38623	5.6
691.20557	2.2
691.38928	18.0
692.38483	2.9
735.33423	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	737.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96759	1.0
55.46435	0.8
59.01241	3.8
65.17516	0.7
68.45203	0.9
69.75404	5.5
71.01245	2.5
73.02828	0.9
81.03324	1.1
85.02828	9.0
87.00751	2.6
91.08083	1.0
93.03322	6.5
98.20541	1.0
101.02266	1.3
109.02840	1.2
111.04370	1.7
116.53852	0.9
127.03883	1.7
135.04379	0.9
137.02264	1.0
154.56079	0.8
155.03416	1.9
165.00174	1.2
173.02327	1.1
173.04439	5.5
177.01920	1.0
191.05542	100.0
192.05881	3.1
208.99162	1.0
209.06123	1.1
211.07570	1.5
216.00609	1.4
225.05713	1.0
226.02670	1.0
235.04019	1.2
237.05496	5.1
246.50298	1.0
247.03905	1.4
248.04654	1.4
251.03548	2.0
253.05023	2.0
263.03400	3.4
264.04163	1.8
265.05057	5.3
266.05579	1.8
267.02994	1.3
281.04544	4.4
283.06155	9.4
292.03638	1.0
295.06152	1.0
296.06793	2.6
298.08447	9.2
309.04065	5.8
313.10797	14.4
314.11359	1.1
323.05573	1.0
324.06360	6.0
327.05273	1.1
339.08701	30.3
340.08990	3.2
342.07388	3.9
355.08096	1.5
357.09775	22.4
358.10043	2.5
368.05209	2.1
383.07791	12.8
384.08084	1.6
513.14038	20.2
514.14282	3.3
531.15070	33.7
532.15399	3.8
557.12823	4.8
573.15924	1.9
575.14008	13.4
576.14447	1.9
737.19928	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	737.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	5.6
69.70303	5.4
71.01246	4.7
73.02813	1.1
83.01237	0.8
83.04891	1.2
85.02824	2.3
87.00757	1.7
89.02338	1.8
93.03352	4.4
96.95899	3.4
99.37781	0.7
101.02347	2.0
107.32500	0.7
108.02056	1.3
109.02831	6.0
113.02356	1.9
115.18862	0.8
119.04873	1.2
121.02853	11.5
122.03642	6.7
123.04414	1.8
124.01617	0.9
125.02338	2.0
133.02850	1.9
134.03603	2.2
135.04436	3.2
136.05177	3.3
137.02350	4.9
144.63916	0.8
146.03603	0.9
147.04407	6.0
149.02386	1.0
149.06042	1.5
150.03125	2.1
151.03865	1.5
159.04453	1.2
160.01527	0.7
160.05212	2.7
161.02364	2.5
161.05998	10.5
162.06787	6.0
162.44408	0.7
163.03947	3.1
164.04680	1.9
165.05513	9.3
168.04207	1.5
173.04469	7.3
173.05988	2.3
174.06792	1.6
175.00288	0.9
175.03917	1.3
175.07555	2.9
176.04703	1.7
176.08292	1.3
177.01843	2.6
177.05452	1.3
179.03337	1.0
179.07040	4.6
182.32603	0.8
189.01892	1.6
189.09135	1.2
190.02609	1.9
191.03430	3.6
191.05521	5.6
193.04941	1.6
205.01346	4.9
205.04999	2.4
206.02139	19.3
207.02925	34.1
208.03288	2.1
219.03069	0.9
221.00911	1.0
233.80777	0.7
236.03192	1.1
249.55316	0.8
272.28336	0.7
272.53513	0.8
283.09677	1.6
297.11356	1.9
298.12097	7.2
299.02106	0.9
311.12955	4.0
312.26401	0.9
313.14423	19.3
314.14804	1.1
316.13235	1.5
327.12488	2.3
343.15558	6.4
346.14453	4.8
361.16556	100.0
362.16937	9.3
367.10242	4.3
369.08237	51.3
370.08688	4.0
399.09399	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95529	0.6
53.51533	0.7
55.01755	2.3
56.13383	0.7
57.03323	2.0
58.00472	1.1
58.40290	0.8
59.01249	100.0
60.01581	0.8
61.78368	0.9
69.03320	1.9
69.56952	5.6
71.01252	33.5
72.99196	2.1
73.02818	8.1
78.95776	1.3
81.03326	1.0
83.01263	5.8
85.02819	16.2
87.00763	4.1
89.02322	9.2
93.03355	1.2
95.01257	4.8
96.95910	5.8
97.02828	5.5
99.00757	3.9
101.02322	18.7
111.00794	3.1
112.01546	1.3
113.02329	23.0
119.03408	3.2
121.02849	0.9
124.01578	3.1
125.02340	11.4
129.01888	0.8
135.04414	1.8
143.03404	5.8
149.04417	2.0
159.02884	1.1
161.04436	3.6
173.04500	1.7
191.05579	1.8
225.07718	0.9
337.23932	0.9
339.25351	3.8
355.24973	0.8
383.24353	4.0
401.25629	3.4
439.31442	0.9
479.26920	1.5
491.26865	0.9
509.27710	2.1
517.30200	1.5
527.28564	21.9
527.35864	1.6
528.29333	3.1
531.32062	1.5
545.29633	69.7
546.30048	8.5
559.31232	14.7
560.31836	2.0
563.30579	18.7
563.38507	1.2
564.31506	2.4
573.19653	0.8
587.30737	10.3
588.31775	1.8
603.36621	1.5
605.31799	17.2
605.42017	0.8
606.32690	2.7
647.32745	1.0
675.36243	1.5
691.35217	3.7
692.36127	0.8
693.37585	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	735.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19008	0.7
55.01755	1.8
57.03321	2.4
59.01249	100.0
60.01596	1.0
69.03320	0.8
69.87746	0.7
71.01254	29.6
72.01595	0.7
72.99183	2.2
73.02812	8.1
77.88998	0.7
81.03334	1.1
81.93994	0.8
83.01262	5.8
85.02823	15.6
85.99980	0.8
87.00758	3.8
88.98691	0.9
89.02316	7.3
89.31608	0.7
95.01255	4.4
96.95907	1.3
97.02840	2.6
98.19778	2.6
99.00782	2.9
99.81331	0.7
101.02325	17.0
108.35162	0.8
111.00788	2.5
112.01511	1.6
113.02328	21.8
115.03943	1.6
119.03388	3.4
124.01601	2.0
125.02334	12.3
143.03392	5.1
149.04523	1.1
159.02939	0.7
161.04539	2.7
191.05482	1.2
209.80379	0.8
229.85193	0.9
322.10165	0.9
339.25470	1.5
383.24377	4.9
401.25711	2.8
443.22614	4.8
474.59906	0.8
479.26703	0.9
491.26871	1.6
509.27997	0.9
519.33856	1.1
527.28589	34.7
528.29376	3.3
538.07660	0.8
545.29626	74.6
546.30017	8.6
554.60425	0.8
559.31207	5.9
563.30774	18.2
564.30841	1.5
587.30713	11.4
588.31012	1.7
605.31750	13.5
606.32458	2.2
649.38086	0.9
691.36951	1.3
730.58374	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45371	1.0
55.01736	1.6
56.19439	1.1
57.03307	2.4
58.00448	1.6
59.01250	100.0
60.01583	1.6
61.15842	1.0
69.03325	1.5
69.29678	8.2
69.30112	4.0
69.54855	1.1
71.01253	53.0
72.99166	2.9
73.02817	16.1
73.56520	1.1
75.00720	1.6
78.95775	2.6
81.03326	1.3
83.01231	5.9
84.02029	1.2
85.02827	21.0
87.00739	5.5
89.02315	24.2
93.03326	1.2
95.01255	4.9
96.95874	6.4
97.02798	1.2
99.00733	3.6
101.01682	2.0
101.02318	26.4
113.02329	40.4
114.02708	1.5
119.03384	9.5
124.01501	1.8
125.02312	5.2
135.04359	1.7
143.03439	6.3
149.04408	1.8
161.04495	10.5
173.04417	2.3
179.05560	7.2
187.49332	1.0
191.05508	4.3
194.87424	1.1
255.23285	1.6
323.68756	1.2
525.27197	12.3
526.27380	2.8
527.31982	1.2
528.03149	1.3
543.28033	35.1
544.28442	5.2
557.29901	1.9
561.29034	4.5
562.29980	1.3
585.28717	6.0
602.35297	2.6
603.30029	4.5
629.34808	6.5
631.37390	1.6
647.35846	7.9
676.28650	1.3
689.36774	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	733.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45371	1.0
55.01736	1.6
56.19439	1.1
57.03307	2.4
58.00448	1.6
59.01250	100.0
60.01583	1.6
61.15842	1.0
69.03325	1.5
69.29678	8.2
69.30112	4.0
69.54855	1.1
71.01253	53.0
72.99166	2.9
73.02817	16.1
73.56520	1.1
75.00720	1.6
78.95775	2.6
81.03326	1.3
83.01231	5.9
84.02029	1.2
85.02827	21.0
87.00739	5.5
89.02315	24.2
93.03326	1.2
95.01255	4.9
96.95874	6.4
97.02798	1.2
99.00733	3.6
101.01682	2.0
101.02318	26.4
113.02329	40.4
114.02708	1.5
119.03384	9.5
124.01501	1.8
125.02312	5.2
135.04359	1.7
143.03439	6.3
149.04408	1.8
161.04495	10.5
173.04417	2.3
179.05560	7.2
187.49332	1.0
191.05508	4.3
194.87424	1.1
255.23285	1.6
323.68756	1.2
525.27197	12.3
526.27380	2.8
527.31982	1.2
528.03149	1.3
543.28033	35.1
544.28442	5.2
557.29901	1.9
561.29034	4.5
562.29980	1.3
585.28717	6.0
602.35297	2.6
603.30029	4.5
629.34808	6.5
631.37390	1.6
647.35846	7.9
676.28650	1.3
689.36774	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	733.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.3
56.05463	0.6
56.64080	0.8
57.03328	2.0
58.00460	0.8
59.01247	100.0
60.01583	1.3
69.03316	1.3
69.37861	0.7
69.43079	2.4
69.43511	3.0
71.01250	28.6
71.92415	0.7
72.99176	1.1
73.02813	7.2
79.86884	0.5
83.01251	3.8
85.02814	14.4
85.86811	0.6
87.00767	2.6
89.02316	9.2
95.01248	3.6
96.95908	1.0
97.02839	1.8
98.20610	1.2
99.00776	3.2
101.02310	14.1
111.00769	1.6
112.01529	1.0
113.02327	23.5
119.03397	2.6
124.01548	2.8
125.02322	6.3
131.03407	0.8
143.03394	4.9
159.02965	1.0
161.04460	4.4
173.04474	1.1
179.05640	0.9
191.05614	0.7
381.22913	3.2
399.24045	1.3
487.65546	0.7
489.25122	0.9
507.25937	1.6
525.26959	18.1
525.34351	1.3
526.27509	3.6
526.79004	0.7
533.85883	0.8
543.28052	59.9
544.28418	8.5
561.29126	20.3
562.29449	2.3
585.29242	7.3
586.29407	1.0
603.30206	13.0
604.31006	2.4
714.87457	0.8
716.23767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
63.35353	1.5
70.91761	3.6
119.97443	1.7
139.19803	1.8
140.22130	1.8
157.14265	1.8
171.10172	3.8
172.10527	2.4
194.15392	1.9
277.21780	2.4
279.22318	2.4
441.14755	1.7
557.13556	2.1
572.44049	1.7
637.08356	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	731.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	100.0
69.95075	37.5
77.37242	6.0
78.20396	7.0
78.95775	8.6
87.00277	5.8
100.72287	6.1
105.21595	6.7
199.13365	11.8
277.21704	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	733.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.1
58.00471	0.9
59.01249	100.0
60.01592	1.3
65.96449	0.8
69.03326	1.4
69.24165	6.1
69.24592	3.3
69.67729	0.7
71.01253	37.8
72.01563	0.9
72.99184	2.6
73.02818	16.9
78.95757	1.3
83.01247	6.0
83.04903	1.5
83.78629	0.8
85.02818	14.1
87.00747	2.9
89.02315	18.0
92.86877	0.9
93.03295	1.1
95.01250	4.0
96.95875	5.0
97.02824	2.4
99.00754	2.3
101.01688	1.8
101.02323	23.9
109.02847	1.0
113.02328	25.5
116.92742	1.0
119.03399	6.7
124.01509	2.1
125.02364	4.6
131.03366	2.0
135.04417	1.1
139.94485	0.8
143.03384	3.7
149.04489	1.7
155.03375	0.9
161.04474	8.1
169.42302	0.8
179.05528	5.0
191.05492	2.7
193.04941	1.5
195.06619	1.0
221.06554	1.3
429.17587	3.1
441.21213	1.3
453.17737	1.7
507.25900	1.1
525.27130	11.1
543.28088	35.0
544.28503	3.2
557.29504	4.1
561.29163	8.3
566.02374	1.0
585.29083	5.8
586.30243	1.3
603.30127	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	731.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.1
57.03312	3.6
58.29419	0.8
59.01250	100.0
60.01591	1.6
69.03326	2.5
69.36993	5.1
69.37421	1.9
71.01251	34.3
72.99191	1.9
73.02811	10.4
75.00742	1.0
81.03348	1.2
83.01259	7.6
83.01711	0.9
83.04921	2.1
85.02821	16.4
85.99991	1.6
87.00767	2.4
88.98683	1.1
89.02312	5.9
91.41328	0.6
93.03359	1.7
95.01275	3.5
96.95897	5.4
97.02317	0.6
97.02847	4.1
99.00770	4.5
99.04388	6.9
101.02323	19.3
102.02625	0.8
109.02870	1.3
111.00771	2.2
112.01591	1.9
112.43890	0.9
113.02325	17.1
113.03043	1.1
115.03887	0.8
116.92764	2.9
117.92744	1.5
119.03408	3.0
119.08582	1.1
120.01167	0.7
121.02907	0.8
122.03602	1.0
123.00724	1.0
123.04453	0.8
124.01581	2.7
125.02325	7.2
135.04457	1.9
135.07999	0.9
137.02379	0.9
137.09555	1.3
143.03391	4.1
149.04506	1.4
151.07541	1.8
159.02921	1.1
161.02341	0.9
161.04427	4.9
173.04526	2.2
179.03395	0.8
179.05594	0.9
191.05557	3.9
195.06569	0.8
205.05185	0.9
209.04697	0.7
235.16985	3.9
326.31384	0.8
335.22458	1.2
337.09274	0.7
379.21243	7.2
397.22247	3.4
439.19870	1.0
475.23776	1.7
483.33481	2.6
487.23740	1.2
493.24835	0.8
513.26917	1.0
523.25458	41.8
524.25641	5.9
533.30054	1.1
541.26526	62.0
542.26764	8.9
555.28119	32.6
555.36938	0.9
556.28601	3.9
559.27625	9.2
560.28040	1.7
583.27576	17.7
584.27948	4.0
601.28625	14.7
601.37360	1.2
602.28717	3.6
615.05487	0.8
687.32111	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	731.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70102	1.1
55.01755	2.8
57.03325	3.2
58.00457	2.7
59.01250	100.0
59.78783	1.0
60.01600	1.5
69.03322	1.8
69.36611	6.0
69.37037	5.3
70.77121	1.2
71.01251	56.6
72.99193	2.3
73.02811	10.6
78.95760	2.1
83.01264	9.7
85.02821	19.7
85.03279	1.6
87.00755	7.3
89.02316	30.3
95.01272	6.5
96.95872	4.0
97.02819	2.2
98.19820	2.2
99.00753	4.0
101.02326	33.9
108.29004	1.3
111.00724	2.2
112.01518	2.6
113.02330	30.0
119.03379	12.2
120.82362	1.3
124.01596	2.0
125.02345	5.3
131.03413	4.3
135.08015	3.2
143.03424	6.4
149.04472	2.4
151.07591	1.8
155.03484	2.0
161.04483	10.5
179.05518	9.6
191.05551	2.3
221.06615	4.4
263.07700	2.9
277.09686	1.2
324.90173	1.4
329.23291	2.3
417.26578	4.1
429.26782	1.7
465.28391	2.6
483.29163	7.0
483.33478	8.4
525.30725	3.9
627.33856	35.9
628.34283	6.5
629.34760	4.3
645.34888	50.7
646.35071	8.3
647.35559	1.5
671.39734	1.3
687.36127	8.9
689.36462	1.5
727.97754	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47694	0.7
55.01754	1.5
57.03316	1.9
59.01250	100.0
60.01572	0.9
61.98711	0.9
68.89261	0.7
69.03310	0.9
71.01254	20.6
71.57999	1.3
73.02818	7.3
78.95803	0.8
83.01259	3.4
85.02817	9.6
87.00763	2.5
89.02312	7.0
93.03320	0.9
95.01261	1.6
96.95891	4.6
99.00777	1.9
101.02313	13.1
108.30006	0.8
113.02316	10.9
119.03423	2.9
119.04935	1.4
123.04427	0.7
125.02328	5.6
135.04459	0.9
136.05197	1.9
139.03812	0.8
143.03429	1.4
144.89531	0.7
149.02422	0.9
149.06039	2.4
151.03987	0.9
151.07559	1.0
161.04471	4.6
163.03979	1.0
165.09100	1.2
167.03479	1.2
179.05582	1.6
183.06688	1.1
191.03511	1.8
191.05524	1.3
209.04526	2.2
209.08134	0.7
212.76628	0.8
315.18243	7.9
315.21762	1.1
319.22629	0.8
327.21945	2.0
357.19107	1.6
401.13885	1.0
463.26956	1.5
481.27371	4.5
481.35907	1.0
482.35986	0.9
523.29309	2.7
625.32892	3.3
627.33997	3.7
643.33545	2.7
645.35321	1.7
685.36713	2.4
687.36450	1.4
729.38910	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	731.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.8
57.03315	1.7
59.01250	100.0
65.63129	1.0
67.01777	1.2
67.53554	1.0
68.40820	0.9
69.03326	1.5
69.28326	2.4
69.28741	7.4
71.01250	23.7
72.99178	1.0
73.02813	7.7
78.95795	1.0
80.90697	1.0
83.01273	3.5
83.04907	1.1
85.02819	9.2
87.00751	3.9
89.02312	12.1
91.79575	0.8
93.03344	1.7
95.01271	3.3
96.95899	4.0
101.02319	15.6
101.02966	0.9
113.02333	19.1
119.03387	4.5
123.04350	1.1
124.01497	1.1
125.02347	5.5
135.04430	1.8
143.03419	2.9
149.04381	1.5
161.04477	4.2
163.03867	0.9
165.01912	1.3
166.56056	1.1
167.03336	1.7
173.04510	2.9
179.05479	2.5
191.03522	1.4
191.05560	3.9
251.18323	0.9
417.06113	1.1
483.33084	1.3
510.47430	1.1
523.25500	18.5
524.25342	2.4
541.26489	33.2
542.26788	2.9
555.28033	9.4
559.27594	6.6
583.27521	6.8
601.28644	6.6
627.33887	1.6
635.22894	1.0
643.31201	1.2
645.35852	1.3
687.32135	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	727.427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	43.7
71.01240	4.1
78.95765	2.3
87.00751	0.9
89.02292	2.9
94.37922	1.0
99.90411	1.0
100.65672	0.8
101.02282	3.3
101.19327	0.7
106.77924	1.0
113.02333	2.0
125.09589	2.2
127.11187	2.4
127.54625	0.9
145.52922	0.8
146.98654	0.8
151.11174	4.0
152.99478	1.2
161.04445	1.5
169.12248	36.0
170.12579	1.1
171.10173	100.0
172.10471	4.7
174.82692	0.8
187.13287	1.6
210.12187	1.0
213.11180	4.8
229.28493	1.3
231.12288	4.1
231.14337	1.0
235.08195	1.4
253.09294	5.4
277.21713	35.1
278.22031	3.4
375.85306	1.0
407.19000	2.0
449.20187	2.7
467.21228	2.6
481.25598	1.3
491.42444	0.8
492.29422	1.0
709.41748	6.7
727.42743	96.9
728.43066	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	727.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33692	0.2
53.22158	0.2
59.01251	14.8
71.01248	1.6
71.21638	0.5
73.02819	0.3
85.02809	0.4
87.00739	0.2
89.02314	1.2
101.02316	1.4
107.22345	0.2
113.02343	0.9
113.42726	0.2
119.03409	0.5
125.09618	0.5
127.11201	1.4
153.09061	0.4
158.80287	0.2
161.04474	0.7
171.10179	100.0
172.10526	4.5
179.05557	0.3
209.22984	0.2
213.96786	0.2
225.18446	0.2
233.22604	0.2
235.08231	1.1
253.09227	5.0
254.62206	0.3
275.19827	0.2
277.21713	47.9
278.22061	3.9
292.88455	0.2
407.19153	2.4
493.59714	0.3
513.30646	0.3
622.43311	0.3
746.11816	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.3
59.01248	21.9
71.01241	1.6
73.02805	0.6
73.54306	0.2
75.83530	0.3
78.09825	0.3
83.01296	0.4
85.02824	0.6
87.00712	0.3
89.02316	1.3
101.02335	2.4
113.02321	1.3
119.03354	0.5
125.09637	0.8
127.11179	1.1
153.73715	0.3
161.04466	0.8
171.10181	85.0
172.10524	3.6
177.98064	0.3
209.11777	0.4
235.08186	3.2
241.75482	0.3
253.09265	7.3
254.09514	0.4
275.20044	0.4
277.21701	100.0
278.22058	7.6
281.24789	0.4
407.19223	1.2
456.42410	0.3
513.30646	1.0
647.31506	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03279	1.4
59.01252	42.5
60.64302	1.0
61.59940	0.9
64.99316	1.2
71.01246	6.3
71.20379	2.6
73.02835	1.0
78.40070	1.2
78.95770	2.4
83.01232	1.4
84.94994	2.1
85.02822	1.3
87.00694	1.4
89.02325	2.6
90.74885	1.0
101.02328	4.5
108.80775	1.1
113.02318	2.9
120.69677	1.0
122.23991	1.1
127.11176	1.5
145.04936	1.3
151.11169	4.2
153.09195	1.4
161.04456	1.9
169.12254	33.0
170.12515	1.6
171.10185	50.3
172.10521	2.7
197.94696	1.1
213.11276	1.9
231.12354	2.4
235.08209	2.3
250.77676	1.1
253.09254	5.7
277.21710	74.4
278.22049	6.7
344.76974	1.2
368.55304	1.0
397.13449	1.9
415.14575	1.3
449.20389	2.1
709.41479	3.4
727.42706	100.0
728.43036	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	727.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68481	2.2
51.85996	1.9
52.59901	1.7
53.20758	1.9
55.27756	1.7
59.01255	2.8
61.54447	1.8
63.53233	1.9
65.00200	3.5
71.06780	4.9
83.01245	2.2
93.21151	1.9
103.80154	1.9
107.01259	3.5
109.99968	2.8
111.00775	3.6
125.02345	4.1
139.00267	5.0
149.02376	3.0
151.00301	13.7
163.00267	2.3
164.01007	4.2
165.01917	2.1
165.98946	7.3
166.99779	3.2
171.04431	3.9
172.79123	2.1
175.00322	5.4
178.99757	6.5
189.01755	2.3
191.05539	3.8
199.03868	2.4
203.03377	2.4
214.02693	2.4
215.03383	4.9
216.41298	1.8
227.03439	6.0
231.02892	6.0
241.01549	2.4
242.02106	3.8
243.03003	10.9
255.02911	6.2
259.02405	3.9
270.01669	8.1
271.02502	44.3
272.02832	2.9
287.01944	31.1
288.02682	2.6
298.01086	4.8
299.02023	25.9
300.02640	3.6
301.03421	4.6
313.03400	3.0
315.01459	75.7
316.02170	39.7
317.02838	25.3
433.07742	3.5
434.08572	4.6
451.45178	2.5
460.06372	2.4
461.01248	3.2
461.07324	43.0
462.07437	8.0
463.08649	2.9
478.07443	19.5
479.08185	14.0
503.08194	8.0
521.09277	43.9
522.09808	6.9
639.15930	3.1
641.13300	5.8
665.13239	3.0
683.14612	100.0
684.15045	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	725.157
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15189	1.5
59.01250	5.4
61.00463	1.6
62.44058	1.5
67.96709	1.8
85.02827	2.1
93.03316	2.1
107.01264	2.4
111.69678	1.8
133.02853	2.4
149.92140	1.9
151.00227	3.0
191.05539	12.4
214.02724	2.1
227.03375	3.5
229.26003	2.1
242.02184	10.0
243.02921	13.8
245.00908	3.5
257.04425	3.5
259.09375	6.1
270.01675	18.1
271.02493	18.8
285.03986	14.7
286.04941	3.8
298.01331	4.3
299.01965	6.6
300.02713	12.3
313.03561	62.0
314.04239	33.2
315.05048	32.0
316.05432	2.5
327.05341	2.8
357.06155	2.6
476.09543	11.3
477.09991	6.4
519.11426	100.0
520.11853	11.2
561.12476	10.6
562.13373	2.6
681.16711	32.9
682.17200	5.1
697.94604	2.1
757.47504	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	14.1
61.98678	1.0
69.27561	4.3
69.27982	5.2
71.01251	11.0
71.23567	0.9
72.99155	1.9
73.02801	3.1
78.95757	2.8
81.03343	0.9
83.01225	1.1
83.04385	0.8
85.02810	3.6
85.08791	0.9
87.00729	1.6
89.02301	5.0
89.76030	0.8
91.01742	1.8
93.03346	4.7
95.01223	1.8
96.95895	9.4
98.19743	1.7
99.00732	1.9
101.02335	5.5
109.02829	1.6
113.02313	4.7
117.03331	1.0
119.01281	7.8
119.03387	1.7
119.04897	2.1
121.02822	6.0
125.02306	2.8
133.02805	2.4
134.03598	3.2
135.04343	3.7
137.02309	1.6
145.02829	1.4
147.00809	5.1
147.04384	2.1
149.02330	16.1
149.04402	0.9
149.05933	2.1
150.02950	1.7
152.01062	1.2
152.99478	1.5
160.01534	1.2
161.02261	1.9
161.04413	1.8
163.03951	4.8
164.04691	15.2
165.01758	2.7
165.05321	1.4
167.03398	1.2
173.04417	2.8
175.00281	36.1
175.03851	6.4
176.00693	1.5
177.01825	1.7
178.02547	1.6
179.03439	1.3
179.05574	1.1
179.06999	4.4
188.37067	0.9
189.01834	1.5
190.02628	87.6
191.03156	6.3
191.05472	4.2
193.04889	2.5
194.02092	1.1
205.04987	88.2
206.05350	4.0
208.03676	2.3
209.04453	2.1
221.08272	1.2
222.05206	2.1
223.06029	16.9
235.07634	1.4
247.06004	1.4
253.08693	1.8
263.07047	4.3
264.04773	0.9
267.06519	1.4
269.08347	5.0
279.06525	3.7
281.08255	5.3
282.08704	1.3
283.09601	1.5
293.08255	1.2
294.08804	2.2
296.10507	1.5
297.07709	17.6
297.11032	2.2
309.07568	27.0
309.11227	7.7
310.08026	1.3
312.10019	17.1
313.10403	2.1
323.09195	5.9
324.10043	14.0
325.10397	1.7
327.12326	27.1
327.21341	1.8
328.12753	1.9
337.09158	2.1
339.12308	18.1
340.12698	1.5
353.08286	1.1
367.10287	100.0
368.10718	8.4
448.49237	1.1
521.27679	1.7
551.25079	0.9
598.90643	1.1
605.28320	1.2
673.51166	1.3
725.24335	54.1
726.24805	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	723.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23335	2.2
59.01249	81.9
69.03342	5.3
71.01247	52.5
71.01594	4.3
72.99197	5.4
73.02836	7.5
83.01260	6.4
83.04922	3.8
85.02817	21.8
87.00758	8.0
89.02313	42.6
89.02816	2.8
89.77229	2.2
93.03322	18.9
95.01272	3.4
96.12154	2.5
96.95918	5.3
97.02843	3.3
99.04430	6.1
101.02320	24.9
109.02882	2.6
109.42593	2.3
111.04440	8.2
113.02326	18.6
119.03382	13.7
121.02932	4.2
127.03865	3.6
131.03452	5.7
133.02859	21.0
134.03647	16.9
135.04425	50.6
136.04753	12.0
137.02379	8.0
137.04895	5.0
147.04486	2.7
149.04503	13.5
149.06000	2.3
155.03429	4.0
159.02969	3.7
161.02347	3.4
161.04523	6.9
161.13336	10.2
163.04025	3.2
164.04854	3.7
173.04440	20.9
175.05354	3.1
175.11232	2.8
177.01930	11.0
178.02628	14.3
179.03418	53.4
179.05559	6.2
180.03770	15.9
181.03857	5.3
184.71104	2.6
185.13364	2.9
187.11212	18.7
190.02737	5.4
190.05928	2.5
191.03712	5.5
191.05511	71.3
192.04315	5.0
192.05861	17.4
193.04808	13.7
196.02545	2.6
196.82399	2.5
204.20010	2.6
205.05093	4.5
205.12257	21.2
209.04597	2.7
221.06674	3.4
229.12373	5.3
247.13425	3.2
249.11308	18.9
257.31070	3.1
291.12280	3.9
292.86331	2.7
307.82678	2.8
309.12561	2.5
311.09961	9.8
353.08905	9.5
367.10577	8.9
368.11255	3.8
369.09869	19.7
370.09995	3.7
411.16791	6.0
429.17722	16.7
533.26526	4.8
543.21277	11.7
549.15656	5.3
561.16504	13.2
561.22705	11.3
591.23718	7.1
723.27789	100.0
724.28241	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70662	0.2
54.79748	0.1
58.00462	0.2
59.01248	3.7
60.55430	0.1
69.60898	0.2
69.61298	1.1
71.00877	0.3
71.01252	3.2
73.02825	0.8
80.02541	1.2
81.03322	1.3
82.11216	0.1
83.01252	0.6
83.04893	4.8
84.02047	0.7
85.02842	1.0
85.03272	0.2
85.92257	0.2
87.00731	0.4
89.02309	2.3
95.01210	0.2
95.04884	0.6
97.02841	0.2
99.04395	0.2
101.02308	2.4
103.38559	0.2
109.06470	0.3
113.02327	1.2
119.03407	0.8
125.05988	0.4
127.07565	0.2
133.04892	0.2
135.08060	0.4
142.92090	0.2
143.03387	0.4
145.04977	0.4
152.99475	0.2
161.04469	1.3
163.11188	3.2
165.12767	2.3
166.13152	0.2
172.21724	0.2
179.05519	0.4
181.12224	0.7
191.10687	1.1
199.13416	0.3
207.10207	0.3
209.11755	100.0
210.10071	0.3
210.12096	6.5
227.12828	10.6
228.13188	0.6
235.08199	2.8
251.13000	0.2
253.09256	8.6
254.09540	0.5
259.20642	0.2
275.20251	0.2
277.21698	67.9
278.22049	6.2
279.23346	0.3
311.32236	0.2
445.20657	0.8
463.21619	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4323
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
59.01251	7.1
63.15511	1.0
69.03300	1.1
69.53350	8.4
71.01244	4.6
73.02811	2.7
78.95769	1.4
79.73929	1.2
81.25347	1.0
83.04902	1.4
85.02827	2.0
89.02333	3.8
89.05876	0.9
95.01295	1.1
101.02322	4.0
103.92083	1.0
108.17362	1.0
111.08096	1.5
113.02335	3.0
129.06349	1.0
165.12727	10.0
183.13826	62.8
184.14156	3.4
187.78558	1.0
209.11792	12.4
225.11185	2.5
227.12848	6.1
235.08174	4.0
253.09233	6.7
258.27628	1.0
275.40735	1.0
277.21704	100.0
278.22031	8.2
279.23260	3.4
310.08539	0.9
445.20856	2.6
463.21786	2.3
483.12512	1.5
505.77664	1.2
539.34222	1.2
723.43164	65.5
724.43445	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51307	0.8
55.94905	0.9
58.00468	1.5
59.01251	23.4
66.24268	0.8
69.58852	0.8
71.01260	14.3
71.06112	0.9
73.02808	4.2
74.41417	0.8
83.01269	2.7
85.02821	6.1
87.00759	3.0
87.63099	0.9
89.02315	9.6
93.03320	4.6
95.01251	1.7
96.95897	2.7
98.20583	1.9
101.02322	9.3
103.91537	1.0
109.02853	1.0
111.04389	1.3
113.02319	7.1
119.01263	1.4
119.03382	2.1
121.02815	2.2
131.03410	2.2
132.02046	5.1
133.02844	3.3
134.03633	46.2
135.04353	3.0
137.02347	8.0
139.03999	2.0
143.03426	0.9
146.47095	0.9
147.04411	1.8
149.02379	6.1
149.04480	4.8
149.05981	16.5
150.03123	2.2
152.01025	1.1
160.01576	24.1
161.02390	4.5
161.04445	1.8
161.13260	1.9
162.02814	1.3
163.03958	1.0
164.04691	5.7
165.01836	1.7
173.04440	4.2
175.00294	9.7
175.03908	28.6
176.01057	2.4
176.04674	4.0
177.01839	1.6
178.02640	35.5
179.03275	3.2
179.05502	2.1
187.11244	2.6
188.04503	0.8
190.02640	29.2
191.03395	3.8
191.05519	15.8
191.07111	4.0
192.04181	3.7
192.05916	3.6
193.01324	2.8
193.04980	100.0
194.05334	4.0
202.02808	1.0
205.05003	31.9
205.12276	5.9
207.06596	3.9
208.03687	3.2
209.04524	1.6
217.05112	1.1
221.06648	1.0
223.06082	12.3
235.06119	5.1
249.11290	8.6
352.08148	1.3
353.08762	5.9
355.10352	4.2
367.10352	42.9
368.10666	3.0
381.15546	1.5
411.16589	3.3
429.17529	4.7
530.13965	1.3
531.14148	2.5
533.26080	1.0
543.20569	1.6
547.27448	1.4
561.15808	76.7
562.16357	11.5
591.23560	1.3
723.28363	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	723.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23335	2.2
59.01249	81.9
69.03342	5.3
71.01247	52.5
71.01594	4.3
72.99197	5.4
73.02836	7.5
83.01260	6.4
83.04922	3.8
85.02817	21.8
87.00758	8.0
89.02313	42.6
89.02816	2.8
89.77229	2.2
93.03322	18.9
95.01272	3.4
96.12154	2.5
96.95918	5.3
97.02843	3.3
99.04430	6.1
101.02320	24.9
109.02882	2.6
109.42593	2.3
111.04440	8.2
113.02326	18.6
119.03382	13.7
121.02932	4.2
127.03865	3.6
131.03452	5.7
133.02859	21.0
134.03647	16.9
135.04425	50.6
136.04753	12.0
137.02379	8.0
137.04895	5.0
147.04486	2.7
149.04503	13.5
149.06000	2.3
155.03429	4.0
159.02969	3.7
161.02347	3.4
161.04523	6.9
161.13336	10.2
163.04025	3.2
164.04854	3.7
173.04440	20.9
175.05354	3.1
175.11232	2.8
177.01930	11.0
178.02628	14.3
179.03418	53.4
179.05559	6.2
180.03770	15.9
181.03857	5.3
184.71104	2.6
185.13364	2.9
187.11212	18.7
190.02737	5.4
190.05928	2.5
191.03712	5.5
191.05511	71.3
192.04315	5.0
192.05861	17.4
193.04808	13.7
196.02545	2.6
196.82399	2.5
204.20010	2.6
205.05093	4.5
205.12257	21.2
209.04597	2.7
221.06674	3.4
229.12373	5.3
247.13425	3.2
249.11308	18.9
257.31070	3.1
291.12280	3.9
292.86331	2.7
307.82678	2.8
309.12561	2.5
311.09961	9.8
353.08905	9.5
367.10577	8.9
368.11255	3.8
369.09869	19.7
370.09995	3.7
411.16791	6.0
429.17722	16.7
533.26526	4.8
543.21277	11.7
549.15656	5.3
561.16504	13.2
561.22705	11.3
591.23718	7.1
723.27789	100.0
724.28241	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
71.26542	7.2
85.02818	9.7
93.03298	7.2
111.87177	5.1
123.04433	29.1
133.02835	20.1
135.04399	44.2
151.03926	10.0
159.19862	4.0
173.04439	11.7
177.01851	17.3
179.03377	34.7
191.05519	100.0
195.02905	15.8
353.08777	72.3
369.08167	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	723.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99158	2.4
64.88503	1.0
67.01760	3.7
69.03319	1.0
71.01250	2.6
71.09524	1.1
71.09869	2.6
81.03309	1.2
85.02827	7.1
87.00733	7.2
93.03333	26.7
105.03318	1.2
109.02842	1.9
111.04401	4.6
123.04414	27.1
127.03906	2.0
133.02847	12.2
135.04404	4.6
149.02362	2.4
151.03926	1.9
173.04459	22.4
177.01843	12.4
178.02252	1.2
179.03433	2.4
191.05537	100.0
192.05869	4.9
195.02940	6.6
215.05528	1.9
253.76262	1.2
351.07184	6.5
353.08652	8.3
369.08237	33.9
369.12909	1.6
370.08469	2.4
591.45978	1.2
644.51257	1.2
665.50146	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32965	1.0
58.03709	0.9
58.11637	0.9
59.01251	1.4
59.34655	0.9
59.54349	0.9
67.01772	2.7
71.01242	1.8
71.57220	1.5
79.95653	1.0
81.03333	1.3
85.02827	4.3
87.00753	1.7
93.03330	17.9
94.03683	1.1
96.95883	28.3
107.04939	1.2
109.02873	1.8
111.04406	4.3
119.04979	1.4
123.04404	19.3
127.03927	1.9
133.02852	9.5
134.03664	4.5
135.04451	8.3
137.02324	3.5
149.02292	2.1
151.03888	10.9
155.03378	2.7
173.04466	100.0
174.04814	4.2
177.01845	11.6
179.03433	11.1
180.03670	1.2
191.05527	51.8
192.05898	2.6
193.01369	1.3
193.04985	5.1
194.05394	2.4
195.02884	16.0
213.09152	3.1
226.54778	1.1
259.09341	2.1
351.07187	1.3
353.08752	14.6
367.10492	1.7
368.10913	2.1
369.08148	19.6
370.08713	2.4
441.45544	1.0
693.64642	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.4
59.01246	16.4
63.38792	0.4
69.03330	0.9
71.01244	6.0
72.62306	0.4
72.99182	0.4
73.02804	1.6
80.02520	0.7
81.03307	0.6
83.04886	1.1
85.02820	1.9
87.00742	1.3
89.02312	4.1
90.66132	0.5
91.03978	0.3
93.03313	0.5
95.01251	1.7
95.04898	4.1
97.02837	3.2
97.06481	0.4
99.00755	0.5
99.04391	0.5
101.02309	4.4
106.04123	0.5
107.04882	0.7
109.02820	0.7
109.06461	7.0
110.03613	1.8
111.04417	1.0
111.08089	0.6
113.02341	2.6
119.03351	1.2
121.06438	1.1
123.04382	0.6
125.02326	0.5
125.09623	0.7
131.03418	0.4
133.04912	0.5
133.06441	0.4
135.08034	1.0
143.03319	0.6
145.04955	1.1
145.10098	0.4
149.09583	0.6
151.07597	0.5
151.11217	0.6
153.12782	0.7
161.04457	2.1
161.09621	1.6
163.11200	9.3
169.12245	1.3
179.05507	1.5
179.10689	1.7
181.12259	1.9
189.09151	4.7
197.11751	0.7
207.10202	28.6
208.10559	1.2
209.11607	0.5
223.09767	0.4
225.11264	100.0
226.11603	5.6
235.08182	5.0
253.09248	8.8
277.21710	54.1
278.21994	3.1
299.15048	0.5
439.60394	0.5
443.19180	5.9
444.19534	0.5
461.20276	17.4
462.20602	1.6
721.41644	9.4
722.41803	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88979	0.6
57.03328	1.0
59.01250	25.3
69.03338	0.9
71.01256	5.7
71.27389	0.6
71.58212	0.6
73.02820	2.1
75.61775	0.6
77.44994	0.6
81.03340	0.7
83.01272	0.8
83.04913	1.4
85.02813	1.5
87.00752	1.6
87.96454	0.8
89.02320	4.9
95.01254	2.5
95.04869	4.3
97.02837	2.7
99.00776	1.1
99.04359	0.9
101.02327	5.2
109.02779	0.7
109.06472	4.7
110.03620	1.6
111.04398	1.2
113.02309	2.5
119.03379	1.3
135.11584	0.7
145.04955	0.9
151.07567	0.8
151.11206	1.2
161.04503	1.6
161.09641	1.6
163.11180	7.8
179.05515	1.6
179.10672	2.1
181.12207	1.0
189.09102	5.6
197.11778	1.3
207.10194	22.6
208.10460	1.1
225.11272	100.0
226.11595	5.2
235.08174	7.3
253.09311	10.9
277.21716	54.1
278.22040	4.3
305.19907	0.7
443.19299	7.6
461.14404	1.0
461.20316	16.9
462.20792	0.8
515.22656	0.9
596.52576	0.7
721.41791	7.7
722.42365	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.7
57.03334	0.8
59.01250	100.0
60.01582	1.1
63.02021	0.3
69.57013	0.8
69.57420	1.6
71.01250	11.7
72.99160	0.4
73.02822	4.9
75.00732	0.5
83.01262	2.3
85.02821	6.1
87.00759	0.8
89.02283	1.8
93.03342	1.5
95.01289	0.5
96.95879	0.7
97.02786	0.3
99.00746	2.1
101.02325	11.5
109.02878	0.4
113.02325	4.8
113.73244	0.3
121.02888	0.3
125.02358	0.6
133.66875	0.3
135.04448	0.7
137.02348	0.7
141.04068	0.3
143.03395	0.6
144.02946	0.4
149.02374	0.5
159.02945	1.4
161.02412	0.5
161.04460	4.6
164.04750	0.4
173.04453	2.9
179.03430	1.4
191.05486	3.5
191.06842	0.3
192.04047	0.3
223.06183	0.4
261.13354	2.2
269.10315	3.8
270.10751	0.5
279.14493	12.7
279.17627	0.6
280.14975	1.0
311.11313	1.6
321.15518	11.4
322.15979	0.9
335.07922	0.5
351.21854	1.0
352.71542	0.4
397.11478	0.8
409.31030	0.3
449.15329	0.3
569.36194	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66209	2.0
58.00452	2.5
59.01252	39.0
66.71526	1.9
69.59422	16.0
71.01248	33.5
71.27393	1.9
72.99175	2.7
73.02814	5.1
75.00757	3.4
75.76994	2.0
77.81816	2.0
83.01253	3.9
85.02821	6.1
87.00758	6.8
89.02317	30.0
95.00270	1.9
95.01285	2.4
97.02829	3.4
101.02321	29.0
113.02322	11.0
119.03398	7.7
121.21881	1.9
125.02322	10.7
143.03365	5.4
161.04514	4.5
179.05498	4.2
225.11493	2.1
235.08124	10.3
253.09389	4.1
263.20148	70.7
264.20389	3.6
305.08762	4.6
397.13492	100.0
398.13702	6.9
406.48065	2.3
415.14554	32.4
648.55206	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	717.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77706	1.4
59.01250	100.0
66.21124	1.5
71.37741	1.4
78.95767	3.9
89.12784	1.7
98.19777	4.7
104.75961	1.9
131.25102	1.4
163.06801	1.3
169.11371	1.5
193.73122	1.5
229.23529	1.6
371.00702	1.5
398.74567	1.8
457.18744	2.1
481.11041	3.3
496.13947	16.2
497.14352	7.7
498.15292	2.5
510.15350	2.4
511.16245	9.1
512.16595	3.3
513.17688	5.5
528.13611	1.8
537.13513	1.9
539.19434	2.9
544.15564	5.2
545.16614	2.1
567.18976	13.5
571.18414	11.0
572.18335	2.4
589.19092	2.3
597.20459	3.7
598.20581	3.5
599.21533	29.0
600.21765	5.8
602.16663	3.0
631.20081	2.5
657.22058	17.8
658.21863	2.8
717.11365	3.7
717.24097	71.4
718.24097	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	721.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08937	1.3
59.01250	1.8
67.01759	3.2
69.22869	3.7
69.23286	12.0
71.01258	1.4
76.54018	1.2
77.17770	1.1
77.57464	1.1
81.03344	1.8
83.04883	1.8
85.02834	4.2
87.00763	1.7
90.41278	1.2
93.03327	23.6
93.43195	1.2
96.95856	1.7
105.03321	2.1
109.02839	1.5
111.04383	7.3
117.03349	7.9
121.02851	12.6
127.03920	2.4
133.02838	4.0
134.03625	81.9
135.04428	29.0
137.02373	4.3
139.03908	6.0
149.02322	21.0
149.05966	6.8
155.03381	4.0
161.02325	1.4
165.01910	1.4
166.82123	1.5
173.04463	76.0
174.04781	2.8
179.03419	29.0
180.03793	1.4
191.05536	48.4
192.05817	1.5
193.01361	13.8
193.04984	100.0
194.01857	1.5
194.05331	4.9
216.87343	1.3
305.24911	1.3
323.02191	1.4
323.07431	1.3
353.08795	26.6
354.09222	2.3
367.06412	4.2
367.10379	38.0
368.10660	4.3
375.06827	1.8
463.37515	1.3
515.03119	1.3
721.20020	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	721.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.5
57.75913	0.4
59.01249	11.1
60.99175	0.5
67.01761	1.9
67.62358	0.3
69.03322	0.6
71.01255	3.1
73.02835	0.9
81.03344	1.0
83.01247	0.7
83.04891	1.3
85.02821	8.2
85.03342	0.5
87.00757	4.1
89.02321	1.2
93.03330	16.4
94.03661	0.5
96.95904	1.3
99.00734	0.5
101.02334	1.4
107.04913	0.8
109.02850	1.2
111.04385	3.7
113.02327	1.2
117.03358	0.3
120.22945	0.4
121.02835	0.5
125.02330	0.4
127.03910	2.4
129.01799	0.4
130.87099	0.3
133.02841	2.2
134.03624	2.6
135.04410	69.1
136.04745	2.9
137.02371	0.8
143.03326	0.5
147.04352	0.5
149.02345	1.4
155.03415	2.4
161.02328	6.0
161.04430	0.5
164.04707	0.9
171.02896	0.5
173.04463	14.8
174.04922	0.3
174.98828	0.5
175.00296	1.1
176.01082	1.0
179.03410	74.7
180.03758	2.8
190.02678	2.3
191.05530	100.0
192.05876	3.5
193.04764	0.4
205.04990	2.8
206.02124	0.4
208.03540	0.4
221.04498	0.5
223.06084	1.0
276.04416	0.4
329.10269	0.4
341.08731	0.6
353.04565	0.7
353.08740	10.2
354.08859	0.8
367.10309	6.9
368.10632	0.7
398.80362	0.4
455.65607	0.4
515.13416	0.6
529.15302	0.5
531.24402	0.5
547.14447	5.5
548.15161	0.6
573.25262	0.7
721.19818	18.0
722.19763	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	716.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.2
61.98700	100.0
71.01259	0.9
71.58152	0.3
73.02846	0.2
78.95802	0.2
87.00762	0.2
89.02306	0.8
92.30095	0.2
101.02340	0.4
105.76153	0.2
112.99973	0.2
113.02334	0.3
117.68763	0.2
158.47531	0.2
186.54216	0.2
255.23238	0.9
256.23615	1.2
257.23944	0.5
258.24210	0.2
327.73904	0.2
353.15793	0.2
367.34241	0.2
397.13528	0.6
398.13828	1.0
399.14075	1.6
400.14236	0.8
415.14551	0.2
416.15033	0.3
417.15167	0.6
418.15482	0.2
463.90622	0.2
558.27545	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00053	4.6
59.01253	22.9
63.05085	3.7
71.01247	18.1
85.02851	4.4
89.02305	18.0
92.92807	5.2
98.20644	7.6
101.02318	14.4
105.44753	4.5
108.69395	3.8
113.02330	5.5
116.97137	10.2
124.22768	4.4
125.02293	6.1
197.15479	4.6
199.13280	7.2
222.31442	4.4
255.20151	4.6
268.11823	4.2
277.21735	8.2
279.23260	50.1
280.23648	5.9
284.12952	4.8
305.08643	4.0
321.14856	4.7
397.13525	100.0
398.13995	8.7
408.26981	5.5
415.14584	32.8
501.26962	4.4
677.38068	9.4
698.24359	5.6
713.35486	42.0
714.34894	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	715.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07296	1.0
59.00946	1.7
59.01248	33.1
69.33540	8.8
71.01270	2.6
72.99185	3.8
83.01243	1.4
85.02844	2.0
89.02309	3.1
93.03351	1.6
96.95910	2.0
101.02330	2.3
107.01283	2.6
113.02413	1.0
119.04913	4.1
119.85960	1.0
121.02843	1.7
135.04430	1.7
147.04419	81.2
148.04744	2.7
149.02330	1.4
151.00284	9.3
152.00952	1.0
163.00272	1.4
165.05482	72.2
166.05893	2.5
169.01338	1.4
173.04405	2.1
178.99751	4.4
191.05586	5.2
207.06561	46.3
208.06854	2.6
224.56024	1.0
226.02682	1.3
227.03467	1.2
243.02975	6.5
254.02248	1.9
255.02986	17.5
271.02454	35.1
272.02933	3.2
273.03934	1.2
300.02734	81.2
301.03458	30.7
302.03839	1.5
337.10712	1.4
463.08804	100.0
464.09042	8.0
588.94678	1.0
591.56122	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.0
57.03326	3.1
58.00457	2.5
59.01246	100.0
64.46812	2.4
69.46758	17.0
71.01250	52.5
72.99162	4.9
73.02816	9.9
76.70786	2.0
83.01254	4.8
85.02820	23.8
87.00755	5.6
89.02317	23.1
92.95940	2.0
93.03337	2.0
95.01248	6.8
96.95887	9.7
99.00745	3.7
101.02308	28.0
113.02326	23.9
119.03391	8.6
124.01540	3.0
125.02328	2.8
129.01883	2.8
136.11150	1.9
143.03365	5.9
149.04391	3.2
149.05951	2.8
159.02878	2.5
161.04475	5.1
209.08034	2.2
212.26773	2.1
425.70139	2.6
467.30029	6.8
611.34344	70.5
612.34253	11.9
629.35352	58.2
630.35730	9.4
639.10352	2.1
671.37408	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	711.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78856	2.3
59.01247	39.1
61.98693	4.1
71.01252	26.0
71.57869	2.7
72.99136	3.3
73.02798	3.6
85.02805	6.0
87.00745	10.6
89.02306	27.1
95.01266	3.4
97.02845	4.2
101.02319	27.2
113.02327	10.8
119.03394	8.1
125.02319	10.9
143.03403	5.1
154.88721	3.5
161.04416	6.5
174.46147	2.3
179.05577	5.6
235.08165	12.7
253.21715	79.4
254.22037	3.9
287.07870	2.7
312.85583	2.7
332.89502	2.5
372.97162	3.9
397.13483	100.0
398.13901	5.1
415.14569	27.4
651.35870	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	711.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	89.3
60.93919	2.6
61.30289	2.6
66.27857	2.5
70.01187	15.5
71.01249	14.0
73.02811	5.3
81.54996	2.3
85.02815	9.7
89.02309	10.1
93.89813	2.4
98.19850	3.3
99.00784	3.6
101.02329	13.7
113.02335	4.9
121.02834	7.4
131.03412	3.0
134.06042	6.6
135.62325	2.7
147.04410	3.1
149.01204	4.7
149.02350	62.2
149.04417	8.2
158.02322	8.1
161.04445	5.7
164.04680	39.2
173.02403	2.7
190.05022	21.9
191.05530	4.8
222.07483	4.2
223.06070	100.0
224.06393	8.0
230.94891	2.9
269.10275	8.0
300.02676	3.4
301.03677	3.1
304.84903	3.3
311.11267	4.1
332.03436	2.8
337.11823	10.8
355.10297	8.1
369.14355	3.5
380.23535	2.8
429.11261	3.6
447.12714	3.9
563.79651	2.9
647.21179	5.7
679.23413	36.1
680.24078	5.0
711.26093	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	711.1415
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
59.01247	10.4
65.00212	3.1
69.44268	10.2
71.01243	8.3
73.02844	1.8
83.01240	2.9
85.02828	2.8
87.00739	2.1
89.02320	11.5
93.03345	2.9
96.95874	2.8
101.02310	5.7
107.01256	5.1
109.02804	1.5
113.02335	2.7
114.34237	1.3
119.03417	3.1
121.02846	7.7
124.17815	1.3
131.03378	1.9
134.06003	1.3
135.04416	1.8
137.02391	1.6
143.54883	1.3
147.04387	2.0
149.02354	19.9
149.04431	9.0
151.00264	24.6
161.04500	1.7
163.00305	2.1
164.04674	12.8
173.04382	2.4
178.99777	12.0
179.05597	3.1
179.07007	1.8
181.86079	1.2
190.05043	5.0
191.05489	7.5
223.06056	30.1
231.92068	1.3
243.02892	7.3
247.13026	2.2
255.02898	18.9
271.02481	40.9
272.02789	3.3
273.03946	2.0
299.02069	3.3
300.02719	80.7
301.03494	91.8
302.03937	6.8
337.11877	1.8
338.22937	1.3
355.10211	2.5
369.14041	1.5
388.86179	1.5
390.58823	1.4
447.12836	3.4
463.08813	19.8
464.09152	1.9
491.98334	1.5
505.09860	100.0
506.10095	10.9
607.26184	2.4
667.15112	4.2
679.23132	4.8
711.25848	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02279	0.6
63.11508	0.4
65.00208	0.9
69.16183	0.4
69.72334	1.8
69.72772	1.4
83.01256	0.8
104.43948	0.4
107.01286	2.2
109.02843	1.2
121.02871	0.6
133.02859	0.7
135.00760	0.6
139.03865	0.4
147.00822	0.9
151.00281	6.7
163.00197	0.8
169.01282	0.5
171.04442	1.0
175.00259	1.1
175.03923	0.6
178.99818	1.5
183.04544	0.8
187.03894	0.5
198.03181	0.5
199.03928	3.9
201.01831	1.1
214.02875	0.5
215.03564	2.2
226.02698	1.7
227.03432	4.5
239.03383	0.6
243.02962	6.4
244.03471	0.4
245.04538	0.5
254.02031	0.6
255.03024	1.7
271.02475	82.2
272.02820	6.8
282.01773	0.6
299.01956	100.0
299.99008	0.5
300.02557	17.1
301.03528	23.7
302.03931	2.5
313.03418	0.9
343.04810	0.7
394.79507	0.5
462.08035	20.2
462.14639	1.0
463.08829	11.0
464.09076	1.0
505.09894	13.2
506.10275	0.9
547.11060	0.9
621.29248	0.5
625.13989	2.7
654.31262	0.5
667.15149	79.8
668.15521	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	711.141
Annotation	Unknow
Peak:m/z	Relative Intensity
67.79897	0.8
74.52028	0.9
90.70296	0.9
96.96849	1.1
109.02892	1.5
151.00285	5.8
176.47644	1.0
178.99821	1.4
191.05550	3.5
199.03911	2.8
202.16730	0.9
227.03336	1.5
229.16916	0.9
239.51321	1.0
243.02954	4.3
255.03009	1.9
262.68924	1.0
271.02460	46.3
272.02859	3.0
299.01935	100.0
300.02563	17.5
301.03467	28.8
302.04016	1.3
313.03656	1.0
462.07980	21.2
463.08722	10.1
469.44839	1.1
505.09897	11.2
625.14258	2.3
667.15112	67.3
668.15491	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	711.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.9
59.33186	0.5
62.31544	0.6
65.00206	1.2
70.91235	1.3
78.17595	0.5
93.03311	1.8
98.14563	0.5
98.31488	0.5
107.01255	1.5
109.02815	1.3
119.04933	0.8
121.02865	0.7
135.04436	0.9
151.00284	4.9
157.66119	0.5
163.00308	0.6
163.03903	0.8
170.79642	0.6
173.04460	6.3
175.00304	0.8
178.99774	1.0
191.05501	3.2
199.03885	3.1
201.01772	0.7
215.03317	1.3
226.02557	0.7
227.03450	2.2
243.03014	4.4
254.02249	0.6
255.02924	1.7
271.02460	48.9
272.02896	4.0
299.01950	100.0
300.02560	15.9
301.03503	31.7
301.06299	0.6
302.03842	1.9
313.03409	0.8
337.09253	2.3
343.04428	0.7
438.98270	0.6
462.08002	25.0
463.08759	13.7
464.09201	1.1
505.09778	10.9
506.10239	1.1
625.13947	2.9
667.15137	77.3
668.15363	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	709.453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.2
57.48377	0.1
58.00468	0.2
59.01249	4.4
70.45413	0.3
70.45811	0.3
71.01251	3.8
72.99161	0.1
73.02818	0.8
74.78739	0.2
83.01256	0.5
83.04906	0.3
85.02815	0.7
87.00748	0.5
89.02320	2.7
91.03911	0.2
95.01267	0.3
97.02796	0.3
98.19929	0.2
101.02315	3.4
113.02331	1.8
119.03385	0.9
125.02354	0.3
131.03374	0.2
133.04976	0.2
143.03412	0.3
159.84454	0.1
161.04460	1.6
176.74446	0.1
177.12775	0.3
179.05574	0.9
182.53108	0.2
183.13826	14.6
184.14198	0.7
195.13834	22.8
196.14131	1.1
199.51950	0.1
211.13330	0.6
213.14894	96.9
214.15245	5.0
228.14275	0.1
233.22684	0.4
235.08176	1.8
253.09253	18.8
254.09601	0.6
256.59293	0.2
259.20572	0.3
275.20224	0.3
277.21701	100.0
278.22049	7.8
278.24438	0.1
308.65802	0.2
440.80399	0.2
466.89331	0.2
473.36304	3.9
474.36618	0.5
666.67590	0.2
722.58209	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78437	0.1
53.33438	0.1
55.01743	0.1
57.03320	0.1
57.04305	0.1
58.00467	0.3
59.01247	4.1
59.84810	0.1
66.83147	0.1
71.01245	3.4
71.20987	0.2
72.99181	0.2
73.02822	1.1
74.18343	0.1
78.20329	0.1
83.01265	0.4
83.04881	0.2
85.02814	0.8
87.00747	0.8
89.02316	2.4
95.01247	0.2
97.02812	0.2
99.00771	0.2
101.02316	3.2
103.03876	0.1
109.86363	0.1
113.02316	1.5
119.03386	0.9
125.02292	0.3
127.07545	0.2
127.42596	0.1
129.01790	0.1
133.04971	0.3
143.03395	0.3
145.04929	0.4
157.04938	0.2
161.04457	1.4
165.12723	0.1
169.04874	0.1
179.05531	0.4
183.13820	8.5
184.14171	0.3
195.13834	11.0
196.14240	0.6
205.48134	0.1
211.13353	0.3
213.14894	55.6
214.15231	3.1
233.22781	0.3
235.05766	0.2
235.08170	3.8
236.08406	0.1
253.09253	14.3
254.09558	0.4
259.20639	0.3
261.09064	0.1
275.20139	0.3
277.21701	100.0
278.22055	7.7
279.23444	0.1
411.79532	0.1
473.36359	1.7
474.36292	0.2
513.30304	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53712	1.2
57.03323	1.6
59.01245	7.5
70.65274	1.2
71.01246	5.6
71.16071	2.4
78.95758	1.6
83.01254	1.8
89.02309	2.7
97.06455	4.2
101.02317	3.8
113.02310	2.4
151.11163	14.7
152.99359	1.7
169.12257	100.0
170.12619	3.4
189.15753	1.2
195.10175	2.5
213.11310	15.6
213.14713	2.6
235.08084	2.5
245.88965	1.3
253.09280	3.0
269.42053	1.2
277.21707	31.9
278.22012	3.0
426.86682	1.5
431.18921	3.3
449.20114	10.8
467.82339	1.2
469.87402	1.2
709.41626	88.8
710.41992	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25702	0.7
57.81390	0.6
59.01250	3.8
64.38940	0.6
71.01249	2.9
71.13676	0.8
71.13989	0.7
78.95773	1.0
89.02322	1.8
101.02322	2.7
113.02322	0.8
113.64498	0.7
114.84782	0.8
145.05037	0.8
161.04431	1.0
183.13811	4.6
193.12326	1.2
211.13338	81.0
212.13702	4.2
215.40405	0.8
221.61539	0.8
235.08214	4.5
253.09212	8.5
275.20233	0.7
277.21710	100.0
278.22040	7.7
447.22589	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28024	0.3
59.01246	2.8
71.01251	2.1
71.58816	0.5
83.04882	0.4
85.02800	0.4
87.00761	0.4
89.02311	1.9
101.02310	2.2
110.91401	0.3
113.02301	1.0
119.03356	0.4
161.04440	1.6
167.14285	0.8
175.04854	0.3
179.05592	0.4
183.13815	6.7
184.60782	0.3
185.12561	0.3
193.12312	1.8
208.89761	0.3
211.13335	100.0
212.13676	4.9
235.08206	1.5
253.09254	6.2
254.09772	0.4
274.79724	0.3
277.21713	50.9
278.22031	4.7
382.19974	0.3
429.21277	0.7
447.22336	3.7
448.22693	0.5
608.44196	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.5
59.01243	4.8
63.96100	2.5
64.31054	0.5
66.45830	0.6
68.26780	0.5
69.03325	1.2
71.01249	11.0
71.26471	0.7
71.26785	0.8
73.02824	1.9
78.95773	0.6
78.98466	6.4
79.95602	15.4
80.96387	89.1
81.03342	1.1
85.02818	3.7
85.46451	0.6
87.00738	3.1
93.03307	0.6
94.97956	19.4
96.95859	2.6
97.02840	1.7
99.00777	1.0
101.02306	3.3
106.97985	5.3
113.02359	0.8
122.97461	4.0
125.02341	4.5
127.03887	1.2
134.97473	7.4
136.99030	2.2
148.99030	8.7
152.98532	7.6
158.35040	0.5
164.98532	16.1
181.16251	0.6
183.13805	0.7
187.01505	0.5
187.92174	0.6
195.13910	0.8
206.99516	2.7
213.14862	3.0
225.00671	25.2
226.00977	0.5
253.25024	0.6
495.19092	5.7
496.19284	0.7
705.43768	0.7
709.34686	100.0
710.35077	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.9
57.03318	1.2
58.00458	1.5
59.01252	18.9
61.98678	0.8
64.25598	0.5
64.91388	0.4
66.79279	0.4
69.03307	1.6
71.01248	16.7
71.58527	0.6
72.99171	1.7
73.02819	4.2
78.95770	1.0
81.03334	1.0
83.01264	1.8
83.04904	0.7
85.02820	5.0
87.00745	3.3
89.02312	16.1
93.03327	1.3
95.01260	1.1
96.95886	2.5
97.02826	2.2
99.00780	0.9
101.02315	13.9
111.04344	0.7
111.08039	8.6
111.35340	0.6
113.02315	6.3
114.62955	0.5
119.03391	4.1
125.02338	4.5
127.07518	1.1
131.03427	0.9
135.04294	0.6
137.09570	0.9
141.09032	0.5
143.03381	1.7
149.02403	0.6
149.04442	0.7
151.03989	0.5
151.11168	0.9
152.99597	0.7
153.12721	1.1
161.04466	4.5
165.12743	0.5
169.12233	4.0
171.10201	3.4
173.04414	1.7
177.07567	0.4
179.05507	3.7
181.12300	1.3
183.13881	0.8
185.11766	0.6
191.03554	0.7
191.05540	1.3
193.12248	0.7
197.11761	44.5
198.12151	2.9
199.13335	3.0
201.11296	0.7
209.11797	1.1
211.13313	6.3
212.13725	0.7
221.06615	0.8
227.12817	1.9
235.08186	3.5
251.16457	0.6
253.09256	5.5
263.20105	2.3
265.18048	0.8
273.18774	1.1
287.07907	0.7
287.67874	0.5
291.19647	15.1
292.20044	1.6
309.20700	100.0
310.21054	9.1
360.36127	0.6
397.13455	21.3
398.13916	2.1
414.76801	0.5
415.14557	31.7
416.14847	2.1
503.32236	0.9
707.36493	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	707.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.6
57.03320	0.6
59.01247	100.0
60.01587	0.7
65.34457	0.3
69.71648	0.5
69.72061	1.3
70.80497	0.3
71.01255	7.4
71.04901	0.2
72.99180	0.4
73.02816	3.3
81.68410	0.3
83.01249	1.7
85.02819	4.5
87.00746	0.6
89.02317	2.5
93.03347	0.8
95.01264	0.6
97.02820	0.5
99.00733	1.2
101.02318	9.5
111.04443	0.3
113.02326	3.8
119.03410	0.8
125.02366	0.5
129.01909	0.4
135.04388	0.3
138.06706	0.3
143.03479	0.5
144.02924	0.3
149.04524	0.6
151.07677	0.6
152.08423	0.4
153.09125	1.8
159.02914	1.1
161.04460	3.8
173.04393	1.3
179.05547	0.8
191.05536	4.6
200.24020	0.3
205.12230	0.4
223.13373	1.0
225.08777	0.2
235.11819	18.7
236.12233	0.7
243.09897	0.7
259.09314	0.4
277.12900	9.4
278.13336	0.7
281.04599	0.3
313.10687	0.5
339.08795	0.7
357.09756	0.8
383.07526	1.8
385.18637	1.9
449.69339	0.3
515.11597	0.4
557.13110	0.8
653.80377	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.5
55.15351	0.7
57.03323	1.7
57.95643	0.7
58.00459	1.9
59.01252	26.0
61.98697	1.9
69.03329	2.9
69.30023	6.6
71.01254	21.4
72.99187	2.6
73.02795	4.3
73.74212	0.7
78.95787	1.0
83.01249	2.6
85.01860	0.6
85.02811	5.9
87.00750	4.7
89.02318	18.1
93.03305	0.8
95.01258	2.1
96.95897	3.5
97.02828	3.9
99.00761	2.1
101.02327	18.6
109.06503	0.8
111.04423	0.8
111.08044	9.7
113.02318	8.7
119.03381	4.0
125.02319	4.8
125.09583	1.0
127.07544	0.8
131.03343	1.3
135.04402	0.8
135.08008	0.9
137.09628	2.6
143.03372	2.0
149.04449	1.2
149.05972	1.0
151.11198	0.9
161.04495	5.3
165.12819	1.0
167.10634	1.3
169.12253	2.7
171.10173	10.0
173.04434	1.4
179.03658	0.8
179.05527	4.0
181.12157	0.9
183.13849	1.6
185.11749	2.6
191.05548	1.7
193.12248	1.2
197.11758	34.2
198.12068	1.8
199.13274	1.7
209.11943	1.0
211.13330	5.2
211.86952	0.7
218.65608	0.7
221.06650	1.1
227.12892	1.7
235.08145	3.5
247.20555	1.2
253.09259	6.5
263.20139	2.4
273.18588	2.5
291.19659	20.8
292.20023	2.0
305.08264	0.8
309.20709	100.0
310.21075	10.0
323.09671	0.8
346.77283	0.9
360.95694	0.8
397.13464	23.1
398.13861	2.2
415.14566	29.2
416.14926	2.5
459.26233	1.0
503.32303	2.6
559.71326	1.0
590.76434	0.7
689.33508	0.8
707.36896	2.3
722.36505	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47808	0.5
55.01760	0.8
57.03335	0.9
59.01251	100.0
60.01600	0.8
68.12359	0.5
69.03346	0.8
69.29756	3.7
69.30181	2.0
71.01253	26.1
71.25182	0.5
72.01568	0.6
72.99156	1.3
73.02815	16.2
75.21567	0.5
83.01260	5.0
85.02819	6.7
86.15926	0.5
87.00774	1.4
89.02319	13.4
93.03378	0.8
95.01270	2.6
97.02840	0.6
98.20523	1.3
99.00773	0.7
101.02319	15.3
105.50922	0.5
113.02328	18.9
119.03407	5.1
125.02352	2.5
131.03430	1.6
143.03441	2.3
149.04495	2.1
155.03392	0.9
161.04472	7.1
173.04460	0.7
179.05504	2.9
191.05594	2.2
203.05537	1.0
221.06673	0.7
355.21298	1.3
481.24524	0.6
491.60104	0.6
499.25507	11.0
500.25922	1.2
517.26514	24.7
517.34100	1.2
518.27130	2.1
531.15424	1.0
535.27594	6.5
536.28497	0.8
559.27484	9.1
559.35132	0.7
560.28375	1.2
577.28613	10.2
578.28778	1.6
619.29205	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01725	1.3
55.36076	0.8
57.03309	1.8
58.00459	1.3
59.01249	100.0
61.98701	3.6
62.49435	0.8
66.91882	1.1
67.45824	0.9
69.03335	1.9
71.01250	31.7
71.58512	1.5
72.99182	2.0
73.02811	11.8
75.00770	0.8
78.95773	2.4
79.95573	1.3
81.03338	2.0
83.01257	5.1
83.04885	1.6
83.67622	0.9
85.02823	14.6
87.00764	5.4
89.02322	14.8
93.03333	2.9
95.01259	4.2
96.88653	0.9
96.95885	33.1
96.96860	2.4
97.02826	1.9
99.00741	2.8
101.02326	19.4
110.84092	0.9
111.00763	1.2
111.04381	1.4
113.02328	19.5
115.03850	2.2
117.30903	0.8
119.03400	5.3
121.17419	0.9
122.14057	0.8
124.01608	1.8
125.02355	7.8
129.05472	1.0
131.03368	2.0
135.04449	2.5
141.05453	1.6
143.03395	3.4
143.06969	1.1
149.04436	1.8
159.02829	1.4
159.06532	0.9
160.01480	0.9
161.04449	2.8
171.10123	1.7
173.04472	4.6
176.18152	1.1
179.05530	2.9
191.03813	1.6
191.05479	8.1
277.22021	1.4
289.37552	1.0
309.20819	1.7
335.79565	1.0
373.22211	1.1
451.23541	1.1
481.24692	1.6
489.26587	1.7
495.08997	1.0
499.25430	10.1
500.26151	1.2
517.26508	39.0
518.26953	4.0
531.28021	25.4
532.28241	2.0
535.27527	13.2
536.28174	1.5
559.27277	4.8
575.30670	3.3
577.28467	9.4
647.36102	4.0
663.32281	5.8
664.32843	1.3
665.36877	2.2
707.35223	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	707.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25908	1.3
55.44512	1.3
56.70177	1.2
70.95272	3.9
80.28494	1.3
85.02809	7.0
87.00737	2.1
87.31596	1.3
93.03330	5.1
101.53575	1.5
107.04892	1.3
111.04346	2.4
133.02834	4.6
134.03665	4.1
135.04405	63.8
136.04721	2.6
155.03342	1.8
161.02327	4.3
173.04451	4.7
179.03419	46.5
183.29248	1.4
191.05528	100.0
192.05919	3.0
220.11018	1.3
288.41116	1.5
300.82355	1.4
353.08752	74.4
354.09247	7.1
508.42865	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	707.183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41555	0.7
57.47697	0.6
57.87061	0.6
59.01247	2.3
59.67826	0.6
61.65786	0.6
66.86612	0.7
67.01759	0.8
69.38744	6.1
71.01247	1.8
77.61544	0.7
81.03327	0.7
85.02817	9.7
87.00755	3.1
93.03334	11.4
99.04363	0.6
109.02843	3.1
111.04397	3.0
113.02355	0.7
115.00259	1.4
121.02866	1.0
127.03863	2.1
129.01830	0.7
133.02794	2.0
134.03670	1.1
135.04413	27.0
136.04729	0.8
137.02313	1.3
149.05980	2.2
155.03416	1.1
159.04422	2.7
161.02359	3.4
161.05946	1.6
171.02817	0.7
173.04469	11.1
179.03406	17.1
184.36302	0.6
191.05530	100.0
192.05850	4.8
203.03447	1.1
240.07095	0.7
242.05901	2.0
243.06526	1.1
259.09494	1.0
271.09766	2.6
283.06073	1.0
295.06058	0.9
297.07474	1.8
298.08408	0.8
313.10776	0.8
315.08575	1.0
323.05576	1.1
339.05057	1.5
340.05453	1.1
341.05688	1.7
353.08759	18.2
354.09232	0.9
357.09857	3.4
359.07611	1.6
383.07840	1.9
514.10681	1.3
515.11206	3.7
533.12750	4.4
707.18243	18.6
708.18036	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	707.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40249	0.5
57.93289	0.6
59.01244	1.3
59.30256	0.6
62.11528	0.7
67.01730	0.7
69.80584	3.6
71.01250	1.1
83.04859	0.7
85.02825	7.0
86.41365	0.7
87.00739	1.9
90.55167	0.7
93.03325	7.6
99.66508	0.7
107.04888	1.2
109.02829	1.4
111.04392	2.0
114.75361	0.6
121.02875	1.0
127.03899	1.6
133.02844	2.2
134.03680	3.5
135.04405	41.9
136.04738	1.9
155.03407	1.3
159.04408	3.2
161.02310	4.3
162.02637	0.6
173.04459	8.2
179.03407	34.3
180.03746	1.9
191.05525	100.0
192.05875	4.2
203.03387	2.0
243.06445	0.8
248.07011	0.7
283.05887	0.9
298.08408	1.0
311.09451	0.9
313.10889	1.1
339.04993	0.7
341.05942	0.7
353.08734	65.2
354.09027	6.2
357.09753	5.2
359.07761	1.1
381.85397	0.7
383.07666	3.2
515.11633	2.5
533.13037	1.9
707.18536	4.5
708.18457	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19303	0.3
51.87687	0.3
57.03308	0.7
59.01251	5.4
60.99171	0.8
64.42129	0.3
67.01756	2.4
69.03316	1.0
71.01254	4.1
71.97048	0.3
73.02811	1.7
74.63284	0.3
75.18499	0.3
77.76632	0.3
79.95632	0.4
81.03313	0.8
83.04897	0.5
85.02816	11.5
86.03165	0.4
87.00744	4.7
89.02313	7.8
93.03331	18.8
94.03671	0.4
95.01295	0.3
96.95879	11.2
99.04387	0.8
101.02320	1.0
105.03343	0.5
109.02798	1.6
111.04406	3.0
113.02316	1.0
113.66511	0.4
123.04392	0.4
125.02312	0.4
127.03908	2.1
129.01840	0.4
131.03380	1.5
132.02078	1.1
133.02849	3.9
134.03590	0.7
135.04422	3.3
137.02319	1.5
145.02815	0.6
149.02426	0.6
149.04456	12.3
150.03189	0.5
155.03365	1.4
160.01579	5.1
161.02351	6.4
161.04454	0.4
164.04749	0.5
165.05441	0.8
171.02893	0.7
173.04459	12.7
174.04779	0.8
175.03821	0.5
176.01012	0.8
177.01843	1.5
178.02625	0.6
179.03339	1.6
179.07040	0.5
189.01950	0.3
191.05527	100.0
192.04196	0.5
192.05865	3.4
193.04991	0.5
207.02956	0.6
229.29387	0.4
281.04556	0.4
300.02713	0.6
309.04184	0.5
324.06476	0.4
339.08691	10.4
340.08990	1.0
351.07260	1.5
357.09671	2.5
367.10144	0.4
383.07730	1.2
447.09238	0.4
531.15027	12.0
532.15582	1.7
557.12885	7.9
558.13519	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89770	0.1
57.03314	0.2
58.45022	0.1
59.01255	0.6
67.01760	0.3
69.03330	0.1
69.59142	0.2
69.59551	0.6
71.01250	0.4
71.54056	0.1
81.03328	0.2
83.04910	0.2
84.33163	0.1
85.02820	5.2
87.00749	1.2
93.03344	2.4
99.04369	0.2
109.02831	0.5
111.04409	0.9
123.04493	0.1
125.02338	0.2
127.03902	1.5
133.02832	0.9
135.04411	1.8
136.04727	0.2
155.03525	0.1
161.02342	1.4
163.03967	0.4
171.02899	0.3
173.04451	1.8
177.01901	0.2
179.03423	1.3
191.05530	100.0
192.05876	3.6
215.05507	0.3
308.08511	0.1
337.09265	0.1
351.07196	0.4
352.07361	0.3
353.08743	18.6
354.09039	1.8
369.08206	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.2
60.99160	0.4
67.01746	1.4
69.03311	0.6
69.37714	0.8
69.38116	2.6
71.01247	3.6
73.02799	1.8
81.03320	0.7
83.01289	0.3
85.02819	10.4
87.00741	4.4
89.02312	6.9
90.43652	0.4
93.03329	10.6
96.95882	3.2
98.20615	0.4
99.04401	0.6
101.02322	0.6
103.03902	0.5
109.02819	0.9
111.04385	2.1
113.02327	0.9
127.03905	2.3
131.03380	1.6
132.01968	0.3
133.02867	0.7
134.03654	0.4
135.04454	0.8
137.02365	0.5
149.04451	15.6
155.03415	0.4
171.02887	0.9
173.02280	0.4
173.04463	5.7
177.01878	0.9
179.03383	1.1
179.07202	0.5
185.02406	0.5
191.05527	100.0
192.05904	3.0
207.02907	1.3
209.05994	0.7
225.05476	0.8
235.03940	0.9
237.05569	1.4
237.96754	0.3
238.39415	0.3
246.89684	0.3
249.13512	0.4
253.04938	1.7
263.03470	1.9
264.04190	0.8
265.05045	1.5
266.05569	0.5
267.02997	0.7
267.06577	0.4
271.06149	0.5
281.04581	2.7
283.06119	0.7
287.05408	0.4
291.03061	0.4
292.03799	0.6
293.04440	0.4
295.06207	1.2
296.06851	2.4
297.07895	0.4
298.08405	0.7
308.03198	0.4
309.03992	4.3
310.04636	1.4
311.09323	0.6
313.10864	1.6
323.05396	2.3
324.06393	3.6
328.74133	0.3
339.08685	15.6
340.09048	1.0
342.07321	0.5
350.04315	0.5
353.02737	0.5
354.03864	1.4
354.08002	0.4
357.09680	3.0
362.87866	0.4
365.06641	0.7
368.05307	2.9
369.06003	3.1
370.06888	0.4
383.07724	14.4
384.07834	1.7
405.87338	0.5
428.36743	0.4
429.17291	0.4
515.11877	0.8
531.15082	5.8
532.15057	0.4
542.10767	0.6
557.12946	36.6
558.13184	4.8
575.14087	3.6
707.17957	1.6
708.18805	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	5.1
60.47343	0.6
62.71993	0.6
67.01722	1.0
69.53640	5.3
69.98314	0.7
71.01250	5.3
73.02819	2.3
83.04874	0.8
85.02819	13.6
87.00758	3.7
89.02325	9.5
93.03334	7.7
96.95872	2.4
99.04442	0.6
101.02323	1.2
106.85412	0.6
109.02834	1.5
111.04408	3.7
113.02312	0.8
121.02841	1.2
127.03900	2.2
131.03397	1.9
133.02855	4.0
135.04425	2.5
137.02344	1.0
137.76952	0.7
144.02942	0.8
145.02832	1.0
146.03563	1.6
147.04486	1.0
149.02516	0.8
149.04463	17.6
150.04771	0.7
155.03397	1.4
159.04454	3.7
161.02344	1.7
171.02792	0.8
173.02335	0.9
173.04482	8.4
174.76530	0.6
177.01823	2.9
178.02585	1.6
179.03410	1.3
179.07127	0.7
181.06532	0.8
191.05539	100.0
192.05864	3.4
197.15172	0.7
203.03439	2.3
209.06030	2.1
210.86487	0.7
211.07678	1.7
213.09129	2.5
221.06192	1.0
225.05457	0.9
235.04004	1.2
237.05573	4.9
239.03409	0.9
239.06955	1.3
243.09843	1.7
247.03929	0.9
248.04701	1.1
251.03516	1.0
253.05017	6.6
255.06532	1.5
263.03497	3.1
264.04276	1.8
265.05014	5.0
266.05612	0.7
267.06546	1.6
268.07410	1.0
280.03845	1.2
281.04559	8.8
282.05127	1.9
283.06113	10.4
284.06494	1.6
291.03027	1.6
292.03671	0.8
295.05908	3.1
296.06842	6.0
297.07462	1.3
298.08456	7.2
299.05426	0.9
306.05157	0.8
307.06375	0.7
308.03256	2.7
309.04001	7.4
311.09238	2.2
313.10785	15.4
314.11124	1.7
323.05557	7.9
324.06354	8.8
327.05222	0.9
339.04700	1.8
339.08719	27.7
340.05508	1.0
340.09201	2.0
342.07462	1.8
353.08676	2.4
357.09778	20.4
358.10110	2.5
365.06442	1.1
368.05264	5.0
383.07703	47.2
384.08096	4.4
401.09180	0.9
471.13065	2.7
485.93140	0.7
515.11823	9.0
531.14905	12.1
532.15601	1.5
557.12939	20.3
558.13446	2.3
575.14160	6.9
707.18243	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	705.262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.9
57.03310	4.2
58.00456	3.4
59.01247	100.0
61.98693	2.6
64.24709	1.0
67.01745	1.1
69.03309	2.4
70.91663	3.0
71.01251	65.1
72.01548	2.0
72.99164	6.3
73.02433	2.1
73.02822	30.2
75.00756	1.3
78.95764	1.8
79.05386	1.4
81.03306	1.7
83.01250	9.6
83.04884	1.9
85.02821	18.8
87.00751	5.0
87.59315	1.1
89.02316	33.4
93.03316	4.9
95.01263	6.3
95.04861	1.2
96.95882	7.5
99.00712	2.0
99.04382	2.5
101.01688	2.4
101.02317	32.4
101.41256	1.1
103.03892	7.0
109.02841	1.7
111.04367	2.0
113.02332	25.1
119.03399	13.7
119.04913	1.4
120.03747	1.9
123.04370	2.3
125.02332	3.6
129.05486	1.7
131.02452	2.0
131.03391	32.5
133.02817	1.6
134.03661	1.9
135.04425	5.7
139.00246	2.6
143.03384	3.2
143.07013	2.4
147.11635	1.5
149.02379	1.6
149.04430	3.5
149.05936	2.4
150.03000	1.2
151.00269	1.6
155.03389	2.2
159.04480	1.5
159.11641	1.2
161.02345	3.8
161.04468	12.0
161.13214	12.8
163.03841	1.3
165.01872	1.2
167.03328	1.1
173.04457	7.6
173.05736	1.4
175.03871	2.0
177.01889	2.0
179.03404	1.6
179.05479	3.0
187.09666	1.0
187.11224	18.6
188.11441	1.6
190.02679	1.4
191.05559	8.2
193.04941	2.1
205.12230	13.7
206.58128	1.2
209.15234	1.4
220.73250	1.3
229.12178	2.8
231.02922	1.6
231.10225	1.6
235.05658	1.1
249.11214	5.7
257.17407	1.2
259.02478	2.4
266.51752	1.6
289.18274	1.2
293.08795	22.6
301.03766	1.3
307.19177	4.4
339.04956	2.2
353.19568	3.0
364.00784	1.3
371.20779	1.6
411.16577	1.6
456.30432	1.8
457.30676	1.8
481.20746	4.4
497.24005	2.6
515.24658	5.7
525.19739	75.6
526.20050	7.9
529.26593	19.0
533.25897	1.2
544.01996	1.3
557.25854	1.8
645.34503	6.0
661.30902	3.9
663.35651	5.4
687.15820	5.7
688.16626	1.5
705.26202	44.6
706.26672	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	707.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84180	0.1
59.01251	3.5
67.01751	0.4
71.01254	1.4
73.02805	0.5
79.95605	2.9
83.01244	0.3
85.02811	0.8
87.00729	0.3
88.51926	0.1
89.02321	1.2
89.62772	0.1
93.03327	2.1
96.95885	100.0
97.95812	0.4
98.95512	0.3
101.02312	0.7
105.03327	0.3
105.82660	0.1
107.05002	0.1
109.02792	0.2
111.04408	0.4
113.02330	0.6
119.03438	0.2
119.04906	0.2
133.02824	1.0
134.03595	0.3
135.04445	0.7
137.02307	0.4
143.03458	0.2
147.04445	0.2
149.02415	0.4
149.04460	1.0
151.00244	0.2
155.03378	0.4
161.02405	0.3
163.03792	0.2
164.04636	0.3
173.04463	2.3
177.01843	0.5
177.62352	0.2
178.02609	0.4
179.03424	0.4
179.05624	0.2
179.07158	0.3
191.05539	5.2
192.05748	0.2
205.12466	0.2
223.05937	0.2
237.05524	0.3
255.03032	0.3
265.05142	0.3
266.05658	0.2
267.06662	0.2
271.02530	0.6
271.05566	0.1
296.07132	0.2
300.02673	1.2
301.03378	0.4
309.04089	0.3
313.10815	0.4
324.06284	0.2
339.08691	0.6
353.08774	0.3
357.09839	1.2
368.05170	0.2
383.07666	2.4
384.08011	0.2
429.17618	0.3
477.06125	0.2
499.25830	0.3
517.26599	0.4
531.14948	1.9
532.15979	0.2
537.07446	0.2
557.13165	1.1
559.27551	0.2
575.14240	0.2
577.28522	0.3
609.14551	1.3
610.15186	0.2
707.16968	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26692	0.5
55.01741	0.9
57.03309	0.5
58.00458	1.1
59.01250	100.0
60.01586	0.6
66.57169	0.4
69.03320	0.7
69.44372	1.8
69.44793	2.0
71.01251	23.0
72.01601	0.6
72.99192	0.9
73.02822	8.0
83.01249	3.0
85.02824	9.3
87.00749	2.2
89.02318	11.7
91.41927	0.5
93.03311	2.3
95.01257	2.7
96.95868	2.4
97.02847	0.4
99.00784	0.9
101.02323	14.3
112.78161	0.4
113.02332	18.1
119.03406	4.2
124.01600	0.7
125.02361	1.7
127.85873	0.4
131.03412	1.9
133.02852	1.7
135.04445	1.3
137.02325	0.6
138.01965	0.5
143.03389	3.3
149.04507	2.0
161.02402	3.4
161.04465	9.7
165.05498	0.6
173.04480	3.0
177.01891	0.6
179.03407	1.1
179.05550	4.0
191.03841	0.9
191.05547	7.6
191.07147	0.8
200.75749	0.4
203.05595	0.7
221.06599	0.6
339.05103	3.2
353.08688	0.6
394.11172	0.5
497.23907	5.5
498.24042	0.8
513.10138	3.9
514.10699	0.6
515.24915	9.3
516.25409	0.8
533.26135	1.9
557.26025	4.8
558.26703	0.6
575.27313	3.5
576.27411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
71.14249	1.0
76.05929	0.4
78.95775	0.7
104.56594	0.4
109.18896	0.4
133.02858	2.8
134.03604	0.8
135.04414	2.5
173.04488	0.8
177.01845	1.6
178.02670	1.3
179.03444	3.7
411.40594	0.4
438.13165	4.2
439.13602	1.0
452.14877	2.5
453.15982	0.7
466.12595	0.6
467.13089	0.8
470.12360	0.6
480.14456	0.8
481.15155	31.3
482.15515	6.8
483.30917	0.8
484.13708	0.5
495.16733	10.9
496.17429	2.3
497.18307	5.8
498.18759	0.7
507.52563	0.6
514.14990	3.1
523.16113	0.6
525.14551	0.8
539.15765	1.8
540.16516	7.9
541.16956	1.0
553.17297	0.5
554.17920	2.5
555.18811	55.5
556.19086	9.7
567.18988	0.7
572.15540	13.5
573.15942	2.5
586.16968	5.8
587.17560	1.2
609.19653	1.0
627.20923	1.2
641.22516	24.5
642.22546	5.4
701.24615	51.4
702.24884	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	703.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07218	39.8
53.83770	39.3
63.26851	32.3
77.27112	33.5
78.95773	100.0
94.30476	32.9
99.27368	32.9
104.99986	44.9
152.99477	58.1
202.58028	35.0
212.74420	35.1
255.23178	65.6
256.71362	38.5
458.01611	39.2
459.88293	44.5
616.22131	40.6
619.08649	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
64.94126	49.7
70.52991	47.2
70.71401	100.0
78.95768	51.3
107.44401	43.8
171.38815	58.2
171.58174	49.9
173.95114	42.2
186.64493	55.6
273.82767	52.8
363.01379	47.7
453.62158	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	703.392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24812	0.5
52.83059	0.5
59.01249	43.2
60.01599	0.7
71.01265	1.0
72.99175	4.2
76.25075	0.5
93.03302	0.8
98.19707	0.8
98.82853	0.6
101.02319	0.6
119.04922	6.4
123.65437	0.6
128.53075	0.6
135.04344	0.6
147.04428	100.0
148.04779	4.3
152.31596	0.5
162.52010	0.5
165.05490	81.3
166.05821	3.6
168.49547	0.6
173.04465	0.9
189.66943	0.5
191.05508	1.5
201.72133	0.6
207.06567	62.6
208.06900	3.7
286.12122	0.6
317.96341	0.6
530.86133	0.6
643.36731	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28258	1.1
59.01247	3.3
67.01740	5.2
69.03326	1.0
71.01263	3.7
71.44579	2.3
81.39687	1.1
82.37240	1.1
83.04918	1.3
85.02825	6.9
87.00739	2.3
93.03329	26.5
95.04882	2.7
105.03355	6.6
108.00600	0.9
109.02829	6.1
111.04401	6.9
121.02838	3.3
123.04419	4.5
127.03867	1.2
133.02843	42.2
135.04407	12.3
137.02318	4.4
137.97789	1.0
149.02332	1.8
150.03101	3.5
155.03358	5.3
159.04388	2.7
161.02286	5.9
173.04459	100.0
174.04756	3.4
177.01843	14.3
178.02592	2.4
179.03430	7.0
185.02365	1.2
191.05537	36.5
192.05881	1.2
195.02852	2.0
195.08101	3.4
196.05116	1.0
203.03526	1.3
207.51718	1.1
209.06024	1.1
211.07539	2.2
215.05620	1.7
216.76698	1.0
221.04276	1.8
221.06168	2.2
222.06834	1.8
223.07597	6.7
224.04659	1.5
229.01340	2.0
237.05595	1.8
239.07039	4.9
249.05521	3.5
250.06190	2.6
251.07036	9.4
266.05768	1.6
267.06589	14.5
268.06729	1.6
269.08252	2.6
277.05017	3.6
280.03815	1.1
283.06113	1.1
295.06119	15.0
296.06497	2.0
307.08286	3.2
311.05368	5.3
313.07184	2.3
321.03943	2.9
339.05057	99.3
340.05276	7.7
351.07227	23.9
352.07761	2.8
353.08716	6.1
381.06046	2.8
437.16846	1.1
473.12775	1.4
487.12497	1.7
513.10327	70.0
514.10590	9.0
531.11511	2.1
705.17407	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	699.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66914	4.6
59.01249	66.8
59.63456	4.9
71.01249	34.3
71.58206	7.8
73.02831	7.3
83.04890	9.1
85.02814	12.8
85.06480	7.2
87.00745	6.6
95.04935	5.6
96.95868	5.6
101.02306	14.8
109.06498	7.0
113.02340	10.2
125.09617	5.7
149.04442	6.2
150.51198	6.5
152.99533	5.4
171.10178	80.5
172.10460	7.1
211.13275	6.6
215.14285	6.9
231.13893	6.6
233.15384	16.8
235.07971	5.4
249.14926	45.1
266.02844	5.6
385.23755	21.6
403.24921	47.0
404.25092	8.7
421.25845	9.2
483.51245	5.6
485.25064	6.6
588.14929	6.0
621.32666	60.2
622.33160	11.1
639.33777	100.0
640.33990	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	697.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10795	0.1
59.01249	100.0
59.18204	0.1
60.01587	1.1
60.01846	0.2
67.41406	0.1
70.60341	0.3
70.64526	0.1
83.85117	0.1
95.77637	0.1
108.58148	0.2
113.19720	0.1
121.02839	1.9
129.95337	0.2
131.73962	0.1
148.51994	0.1
152.98448	0.1
167.58955	0.2
174.99300	0.2
191.03444	0.7
191.05579	0.2
192.84436	0.2
208.68495	0.2
208.70657	0.2
209.04471	1.4
209.08044	0.2
217.00296	0.3
368.20352	0.2
383.07947	0.2
480.70581	0.2
581.01996	0.2
593.13104	0.7
708.51880	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22956	1.1
54.37566	1.1
57.03309	1.2
59.01253	25.8
69.59616	9.2
71.01254	31.4
73.02817	8.8
80.04955	1.6
83.01242	3.9
85.02827	9.7
87.00729	6.6
89.02309	15.5
93.03324	1.7
95.01273	2.6
96.95913	2.0
97.02843	1.7
97.08137	1.2
97.52550	1.1
99.00740	2.3
101.02315	21.4
104.04246	1.2
104.04900	2.6
106.06501	3.4
108.04456	4.6
109.37345	1.4
113.02338	9.5
119.03430	7.7
121.02898	1.3
121.47385	1.1
122.05993	2.9
131.03391	6.4
132.04448	43.8
134.06015	30.0
135.04416	1.7
135.06300	1.6
148.03882	2.3
149.04498	2.1
150.05513	4.3
152.07092	6.4
158.02391	1.4
158.06009	3.0
160.03940	2.5
161.04488	9.6
167.03395	2.1
173.04404	3.2
176.03467	11.0
179.03407	2.1
179.05530	3.2
188.03369	4.1
190.05022	6.6
191.05470	7.2
221.06599	5.1
235.08821	1.6
251.11838	4.2
255.11333	3.1
279.11383	18.9
295.10922	4.3
297.12366	2.3
323.10443	12.2
367.10287	1.8
535.13806	1.5
597.22858	7.3
621.22760	12.0
637.22522	2.3
665.21997	100.0
666.22406	18.0
679.24005	7.8
697.24231	13.6
697.34778	1.5
698.24847	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	697.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55932	0.8
59.01248	44.3
59.07949	0.6
60.11278	0.8
61.02211	0.7
63.68744	0.8
69.31314	6.3
71.01250	1.2
91.40746	0.7
96.95891	1.5
106.04099	1.4
114.55246	0.7
115.07387	0.7
116.26862	0.8
121.02840	1.0
147.08046	3.0
149.05975	48.1
150.06284	1.6
162.06778	1.5
165.05518	1.0
177.09171	1.4
209.08127	100.0
210.08388	3.8
217.00320	1.8
307.09995	0.7
351.36896	0.9
457.16602	2.2
472.18671	1.8
487.21265	10.9
488.21378	2.0
697.40936	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28262	0.6
59.01251	1.0
61.86893	0.5
65.55956	0.5
67.01755	0.6
69.58816	0.6
69.66060	4.2
69.93177	0.6
78.95774	0.8
85.02821	5.4
87.00755	2.1
90.07307	0.6
93.03344	4.0
96.96828	1.5
97.27025	0.7
107.33211	0.6
111.04426	0.8
127.03899	1.0
133.02834	0.9
135.04416	7.6
144.31830	0.6
150.01898	0.6
151.67896	0.7
161.02359	2.5
169.26797	0.6
173.04449	3.9
179.03397	8.3
191.05528	100.0
192.05907	2.8
327.12625	0.7
353.08710	26.9
354.09155	2.2
544.91949	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19569	0.4
55.01765	0.5
58.00474	1.0
59.01250	100.0
60.01594	0.4
62.58338	0.4
67.12414	0.3
69.03337	1.3
71.01252	28.7
71.59067	0.5
72.01590	0.5
72.62697	0.3
72.99187	1.6
73.02818	23.4
74.02348	2.7
74.03138	0.5
79.95622	0.6
81.03331	0.6
83.01259	9.0
83.04911	0.5
84.01603	0.5
85.02818	3.7
87.00762	1.0
89.02319	10.1
93.03334	2.6
95.01263	1.4
96.95890	14.7
97.02837	0.7
99.00761	0.4
101.02322	28.0
102.02698	0.4
111.04392	0.4
113.02326	10.9
116.03432	1.8
119.03378	4.5
125.02348	1.7
131.03378	2.9
132.83232	0.4
134.03651	1.2
135.04451	1.4
137.02347	0.5
143.03381	2.7
149.02365	0.5
149.04454	6.5
155.03445	1.3
157.29993	0.4
161.02396	0.7
161.04448	8.7
173.04460	4.2
178.02608	0.5
179.03314	0.8
179.05569	1.2
191.05513	2.6
193.05014	0.8
203.05556	0.6
204.35184	0.3
205.04959	0.4
221.06592	2.5
242.80597	0.4
261.13495	0.5
303.14542	0.7
361.18475	1.1
367.10608	0.6
403.19595	1.8
563.16785	0.5
608.33032	0.9
695.30853	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07212	0.3
54.54717	0.4
59.01249	100.0
60.01576	0.6
65.65136	0.4
67.89810	0.4
78.95769	13.5
78.96209	0.8
127.05647	0.4
148.99927	0.5
165.87575	0.4
205.15891	1.0
339.13614	0.5
427.18915	0.5
442.05295	0.5
601.04193	0.5
695.31122	44.3
696.31378	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.3
57.03304	1.4
59.01247	45.0
61.98687	1.6
69.31911	1.0
69.32225	9.2
71.00890	1.5
71.01256	22.2
71.04892	0.8
72.99167	1.9
73.02824	4.2
78.95782	1.9
83.01250	3.6
85.02823	6.2
87.00751	3.1
89.02315	11.2
93.03351	1.9
95.01256	1.4
96.95882	5.2
97.02783	1.1
98.20521	1.6
99.00740	2.2
101.02326	15.0
111.00768	1.3
113.02322	8.1
118.86935	0.9
119.03400	2.3
121.02789	1.1
125.02357	1.0
134.03688	1.1
135.04430	1.7
147.04465	0.9
149.04471	2.0
160.01564	1.1
161.04428	1.3
166.96367	0.8
173.04471	2.6
174.01857	1.3
175.03815	1.5
179.03366	1.3
191.05498	2.7
256.87674	0.8
282.51468	0.9
285.20895	2.1
321.08865	1.9
337.09314	0.9
348.30676	0.9
359.27780	1.3
429.24899	3.5
447.25952	9.9
448.26428	1.1
471.25937	1.5
473.28009	1.0
489.27002	7.4
501.15021	4.4
521.32526	1.0
531.30597	1.0
549.99799	0.9
563.34332	3.5
609.31152	2.1
651.32288	100.0
652.32611	13.8
695.24255	2.1
695.38000	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	695.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.9
70.01085	4.3
75.49307	0.9
78.95764	1.8
85.02830	1.1
89.02294	2.8
93.03321	1.4
94.22402	0.9
96.95890	14.7
96.96828	2.2
98.19891	1.2
101.02290	1.3
107.01308	1.0
117.03419	1.3
124.44317	0.8
133.02805	1.2
135.04391	1.4
149.04430	1.1
151.00259	2.8
159.60167	0.8
179.03394	1.2
179.05396	1.2
183.04407	3.5
191.05475	4.9
211.03912	2.7
219.47514	1.1
227.03409	11.0
228.03799	1.0
241.04753	1.0
255.02950	56.4
256.03464	4.1
283.02463	100.0
284.03122	22.9
285.04001	30.5
286.04404	1.3
297.04074	1.6
326.04047	1.0
327.05069	1.5
343.31216	1.0
354.83945	1.1
446.08530	21.1
447.08939	4.9
489.10361	54.5
490.10757	5.9
531.11371	5.6
651.15607	61.5
652.16010	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	87.9
62.41956	1.8
71.01254	59.0
72.99177	6.0
73.02827	7.8
81.06947	2.2
83.01269	3.5
85.02821	11.4
87.00765	5.5
89.02318	72.1
93.03345	5.7
95.01281	4.0
96.95880	2.5
99.04393	11.6
101.02314	28.4
103.03893	4.8
109.02853	2.0
111.04395	3.9
113.02320	14.2
119.03401	16.6
131.03415	12.7
133.02850	9.0
134.03630	2.4
135.04361	10.6
137.02339	3.2
143.03430	2.8
149.04456	100.0
150.04846	1.9
161.02388	2.0
161.04535	3.1
161.13271	27.5
161.14406	3.0
173.04459	5.8
177.01813	4.5
178.02597	4.3
179.03415	10.7
179.05525	10.0
180.03674	3.6
187.11227	6.9
189.43816	2.3
191.05464	10.9
193.05011	2.7
205.12274	48.7
206.12640	2.3
249.11311	47.4
251.32974	2.1
263.74680	2.1
276.87851	2.3
285.10977	2.0
307.28726	2.2
339.08661	9.4
381.15613	19.2
385.18875	4.1
429.17615	45.1
430.17896	3.5
474.64120	2.2
513.19312	14.4
514.20215	2.3
561.21844	89.6
562.22534	11.1
693.26312	67.7
694.26459	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.3
58.00452	4.4
59.01249	100.0
59.17434	1.5
60.01581	1.6
60.60155	1.6
62.79205	1.6
63.16916	1.5
71.01253	62.0
71.58570	2.4
72.99156	6.4
73.02814	7.7
75.00739	1.9
81.06975	2.4
83.01235	4.6
83.04871	4.9
85.02338	1.7
85.02810	16.9
87.00732	3.5
89.02312	60.0
90.02624	1.9
93.03306	2.6
95.01209	5.0
95.04895	1.8
96.95854	5.0
97.02861	1.7
99.00729	3.0
99.04398	10.0
101.02320	38.0
107.04874	2.0
111.04352	6.9
113.02322	25.9
113.05919	1.6
116.03352	1.8
119.02699	1.6
119.03387	19.6
119.04887	9.1
119.07020	2.0
123.04421	2.9
125.02290	1.7
131.03365	7.2
134.03598	8.5
135.04341	4.4
137.02325	3.6
143.03349	4.7
145.02782	2.6
147.11575	1.7
149.02364	2.3
149.04456	44.2
149.05667	1.4
150.03119	1.6
151.03844	1.6
160.01491	3.8
161.02367	2.0
161.04465	8.3
161.13266	24.1
163.03903	2.8
167.03276	2.0
173.04372	5.7
175.03880	6.2
176.01070	1.6
178.02542	6.2
179.03333	3.7
179.05450	8.2
187.09752	2.2
187.11197	25.1
190.02539	2.7
191.03436	2.6
191.05496	6.5
193.04984	11.9
205.04947	3.4
205.12256	60.8
206.12524	4.9
223.05997	3.8
229.12164	2.2
231.10159	1.9
249.11273	44.2
250.11560	2.6
281.12436	10.5
337.09164	5.8
353.08463	2.6
363.14243	3.0
367.10043	4.1
381.15518	18.9
385.18381	3.5
411.16342	1.7
429.17618	43.1
430.17746	4.2
469.24051	2.2
513.23932	48.9
514.24005	2.3
531.14636	12.6
532.15222	3.4
543.20770	3.6
561.21899	73.5
562.22162	9.3
693.26477	65.2
694.27289	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2037
Annotation	Helonioside A
Peak:m/z	Relative Intensity
56.44314	0.7
59.01248	15.5
69.28574	7.0
71.01254	9.5
72.99173	1.1
73.02808	2.8
75.00750	1.1
77.03092	0.8
78.95821	0.7
79.10631	0.8
83.01278	1.0
85.02811	3.9
87.00734	1.4
89.02317	6.4
93.03333	1.5
96.95887	4.0
99.04385	1.6
101.02333	5.8
111.00747	1.0
111.04407	0.8
113.02351	4.4
119.03417	1.4
121.02830	2.1
123.04297	0.7
125.02368	0.9
131.03441	0.8
132.02055	7.7
133.02863	4.2
134.03621	52.2
135.04477	4.1
136.01541	0.8
137.02341	9.2
139.03896	2.5
143.03371	0.8
147.04405	1.3
149.04477	3.2
149.05975	17.3
150.03091	1.6
150.06345	1.4
155.03392	0.7
160.01563	40.2
161.02374	4.2
161.04460	0.9
161.13255	3.6
173.04474	2.9
175.03911	48.1
176.04494	4.1
178.02620	35.1
179.03288	2.8
187.11189	2.3
191.05507	5.5
191.07063	3.1
192.04152	2.5
192.05811	1.5
193.04977	100.0
194.05341	4.6
202.02606	0.7
205.12238	5.4
207.06607	1.1
217.04984	1.7
223.17351	0.7
235.06108	3.4
249.11261	6.9
281.12469	1.2
297.73486	0.7
323.07837	3.5
324.67291	0.8
337.09259	37.3
338.09518	3.4
352.69205	0.7
355.10516	1.8
381.15424	2.6
402.69324	0.7
429.17493	6.6
430.17715	1.0
501.14307	0.8
513.23962	3.9
531.15033	80.2
532.15375	13.6
561.21893	6.9
562.22266	1.2
656.93542	0.8
693.27594	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	693.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44314	0.7
59.01248	15.5
69.28574	7.0
71.01254	9.5
72.99173	1.1
73.02808	2.8
75.00750	1.1
77.03092	0.8
78.95821	0.7
79.10631	0.8
83.01278	1.0
85.02811	3.9
87.00734	1.4
89.02317	6.4
93.03333	1.5
96.95887	4.0
99.04385	1.6
101.02333	5.8
111.00747	1.0
111.04407	0.8
113.02351	4.4
119.03417	1.4
121.02830	2.1
123.04297	0.7
125.02368	0.9
131.03441	0.8
132.02055	7.7
133.02863	4.2
134.03621	52.2
135.04477	4.1
136.01541	0.8
137.02341	9.2
139.03896	2.5
143.03371	0.8
147.04405	1.3
149.04477	3.2
149.05975	17.3
150.03091	1.6
150.06345	1.4
155.03392	0.7
160.01563	40.2
161.02374	4.2
161.04460	0.9
161.13255	3.6
173.04474	2.9
175.03911	48.1
176.04494	4.1
178.02620	35.1
179.03288	2.8
187.11189	2.3
191.05507	5.5
191.07063	3.1
192.04152	2.5
192.05811	1.5
193.04977	100.0
194.05341	4.6
202.02606	0.7
205.12238	5.4
207.06607	1.1
217.04984	1.7
223.17351	0.7
235.06108	3.4
249.11261	6.9
281.12469	1.2
297.73486	0.7
323.07837	3.5
324.67291	0.8
337.09259	37.3
338.09518	3.4
352.69205	0.7
355.10516	1.8
381.15424	2.6
402.69324	0.7
429.17493	6.6
430.17715	1.0
501.14307	0.8
513.23962	3.9
531.15033	80.2
532.15375	13.6
561.21893	6.9
562.22266	1.2
656.93542	0.8
693.27594	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	693.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.2
62.08049	0.5
67.01773	0.7
69.57113	4.8
71.01242	2.2
72.00764	0.7
85.02821	6.1
87.00737	2.2
89.02324	0.8
93.03346	4.6
96.95876	1.9
109.02854	0.6
111.04390	1.6
119.04973	1.0
121.02773	0.8
127.03884	1.9
129.01810	0.6
133.02835	2.2
133.03827	0.6
134.03688	0.7
135.04416	3.6
144.02917	0.8
145.02866	0.9
160.01471	0.6
161.02341	1.0
163.03850	1.3
171.02919	0.9
173.04486	3.7
175.03873	0.8
178.02603	0.7
179.03397	2.7
191.05536	100.0
192.05856	4.5
217.99884	0.7
223.06030	1.2
240.39282	0.6
286.25531	0.6
311.86942	0.6
337.09286	20.5
338.09735	2.2
339.08905	0.9
351.06998	0.7
359.07504	0.8
531.15924	0.6
693.19061	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71396	0.3
59.01244	2.9
65.25493	0.3
69.03301	0.4
71.01238	2.7
71.13543	0.5
71.13866	0.5
73.02820	0.8
74.02332	0.3
83.01270	0.4
85.02816	1.0
87.00743	0.5
89.02319	1.3
91.01725	0.4
93.03309	1.7
96.95895	1.1
99.00748	0.6
101.02334	1.1
106.04111	0.4
109.02839	0.4
111.00765	0.4
113.02325	1.1
117.05444	0.3
119.01262	1.7
119.03382	0.5
119.04902	0.4
121.02816	2.0
131.03362	0.4
133.02832	2.7
134.03624	53.9
135.04060	1.7
137.02335	9.0
139.03902	3.2
147.00780	0.7
149.02341	4.8
149.04630	0.7
149.05977	17.4
150.03148	2.8
155.03395	0.3
161.02255	0.9
163.03877	0.8
164.04683	4.7
165.01823	1.2
165.05388	0.6
173.04462	1.3
174.98755	0.7
175.00278	11.3
175.03900	0.9
176.01074	3.2
177.01834	0.4
178.02620	39.1
179.03058	1.6
179.07024	1.1
181.04771	0.3
189.01845	0.5
190.02631	27.9
191.03343	4.9
191.05466	1.7
192.04233	3.3
193.04979	100.0
194.02153	0.4
194.05318	4.1
205.04988	25.9
205.12315	0.5
206.05363	1.2
207.06561	2.3
209.04449	1.3
223.06070	5.4
229.11868	0.5
247.06079	0.4
251.05663	0.4
296.46222	0.3
329.13812	0.6
352.08087	0.5
353.08786	8.3
354.09262	0.8
367.10306	46.4
368.10599	4.2
429.17587	0.6
513.23004	0.8
555.54608	0.4
561.16046	43.9
562.16431	6.5
693.19781	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.3
57.03316	1.0
58.00456	1.5
59.01250	36.6
61.98691	1.6
69.03312	1.9
69.42391	5.9
69.42799	1.9
70.60120	0.9
71.01252	30.2
71.04897	2.3
71.08940	0.8
72.99181	3.9
73.02818	6.1
75.00729	1.0
78.95792	2.2
83.01254	3.7
83.04914	1.1
85.02831	6.6
85.03254	1.3
85.40758	0.9
87.00760	6.3
89.02318	24.1
91.58837	0.8
93.03329	1.4
95.01266	1.9
97.02810	3.7
99.00752	1.9
101.02319	23.2
111.04391	1.3
113.02326	11.2
119.03383	6.6
125.02360	8.0
131.03357	1.2
143.03389	3.4
152.99496	1.7
155.03456	1.0
161.04463	7.2
171.10152	1.2
173.04410	1.6
179.05550	4.4
191.05519	1.8
191.17906	1.0
209.11807	1.0
211.13263	1.0
221.06564	1.9
224.23640	0.9
231.21121	2.7
235.08162	9.4
235.16994	37.1
236.17287	1.9
253.09215	4.2
275.20126	46.2
276.20331	4.4
277.21747	1.9
280.08215	0.9
287.07733	1.4
293.21216	100.0
294.21490	7.5
305.08749	2.7
323.09836	1.6
397.13495	65.9
398.13718	6.2
415.14600	47.6
416.14847	2.1
485.93481	1.2
647.36041	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	691.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.5
57.03312	0.9
57.76266	0.3
58.00468	0.4
58.91119	0.3
59.01248	16.1
60.01571	0.4
61.98698	0.3
69.03316	0.8
69.81136	0.3
70.87564	0.8
71.01253	13.9
71.04900	0.3
72.99169	1.1
73.02816	2.4
78.95768	0.3
81.03321	0.4
83.01250	1.3
85.02816	3.0
87.00745	2.4
89.02312	10.7
92.38227	0.3
95.01244	1.2
96.95856	0.3
97.02831	1.5
99.00719	0.6
101.02312	10.9
109.02798	0.4
112.00613	0.3
113.02322	5.9
113.09625	0.4
119.03386	3.3
121.02799	0.4
121.50816	0.3
125.02323	3.4
131.03354	0.5
133.04930	0.8
143.03389	1.6
146.72490	0.3
149.04532	0.4
152.99512	0.5
161.04449	3.1
173.04526	0.4
177.12659	0.3
179.05527	3.4
183.10222	1.1
191.05519	0.7
195.13831	8.1
196.14409	0.4
205.12299	0.5
205.15871	0.6
221.06552	0.8
223.13301	5.9
228.13614	0.7
235.08173	3.5
253.09233	4.3
256.13220	0.7
263.07584	0.4
275.20117	4.1
277.21640	0.7
287.07672	0.4
291.19800	0.5
293.21201	100.0
294.21530	8.8
305.08719	0.8
323.09933	0.5
397.13467	23.7
398.13858	1.8
415.14536	24.8
416.15009	2.0
654.27466	0.4
691.35162	0.7
696.42505	0.4
711.93103	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55461	0.3
58.00454	0.3
59.01242	1.2
67.01742	1.0
71.01246	1.7
81.03335	0.4
83.01233	0.3
83.04907	0.8
85.02828	2.9
87.00716	1.7
93.03332	7.1
96.95886	6.3
101.02335	0.5
103.13911	0.3
107.04894	1.1
109.02843	0.6
111.04402	2.8
117.03385	0.5
119.04851	0.4
127.03860	0.8
129.01848	0.8
132.02020	0.4
133.02852	1.1
133.71193	0.3
134.03627	4.1
135.04408	87.3
136.04736	2.5
137.02313	0.9
147.18309	0.3
155.03380	3.2
160.01558	3.0
161.02371	3.0
163.03850	0.3
173.04456	12.8
175.03897	2.4
178.02557	0.4
179.03412	100.0
180.03749	3.6
180.50021	0.3
191.05528	35.4
192.05948	0.7
193.05019	1.0
195.83745	0.3
217.04895	0.3
229.17613	0.4
237.05392	0.4
281.04486	1.1
306.74054	0.4
323.07547	0.4
335.07571	0.4
337.09241	2.0
341.09143	0.5
350.10632	0.3
353.08713	3.6
367.10425	1.1
391.77744	0.3
458.07465	0.4
517.13538	9.5
518.13721	1.6
691.18768	12.7
692.19312	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	691.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96574	1.8
67.62810	1.8
70.32894	3.8
70.33286	2.9
71.45031	1.8
72.64860	1.9
72.71149	1.7
85.02821	5.9
93.03348	4.8
99.73534	1.8
109.02871	3.1
111.04393	3.2
114.68750	1.8
119.04919	5.0
133.02832	2.5
133.47418	1.8
135.04399	7.1
161.02454	2.4
163.03839	3.3
173.04482	18.5
179.03407	5.8
191.05542	100.0
192.05852	3.4
231.96654	1.8
255.10281	6.0
304.46320	1.7
337.09180	2.7
343.08170	3.4
353.08701	17.7
378.28757	1.9
452.87854	1.8
458.67404	1.8
471.69446	1.9
517.13251	2.0
527.94067	1.9
566.62079	2.2
640.47821	2.4
691.18896	5.5
692.79535	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	691.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	6.4
67.01767	3.5
69.03327	1.6
71.01253	6.4
71.35096	1.2
72.99161	0.8
73.02828	1.2
73.50060	0.6
78.95769	0.8
81.03342	0.9
83.01292	0.8
83.04887	4.2
85.02827	3.4
87.00766	1.3
89.02298	1.6
93.03333	28.7
96.95879	6.5
99.00793	0.8
99.04414	1.0
101.02323	1.9
107.04923	1.1
109.02857	1.5
111.00745	1.8
111.04363	4.6
113.02325	2.0
114.20205	0.7
117.03357	0.9
119.03387	0.7
119.04964	1.1
125.02291	0.8
127.03927	1.0
132.02045	1.6
133.02797	1.3
134.03625	7.0
135.04413	100.0
136.04765	3.6
137.02325	5.5
149.04420	1.0
149.05959	1.2
152.01079	0.8
155.03391	4.9
160.01561	6.1
161.02383	6.4
173.04468	65.8
174.04807	2.0
175.02473	1.3
175.03897	10.2
179.03419	100.0
180.03757	4.3
191.03622	1.2
191.05536	17.2
191.07115	0.8
193.04924	4.1
266.38550	0.7
323.07495	2.5
337.09229	13.2
341.08688	3.1
353.08728	6.6
473.14526	12.1
474.14740	1.3
499.12317	0.9
515.13989	1.3
517.13477	22.6
518.13654	2.8
691.18793	14.1
691.30475	1.3
692.19440	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	691.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07635	0.7
56.22459	0.6
62.56608	0.7
67.01747	0.7
70.95329	1.2
70.95684	1.5
74.80414	0.7
85.02809	7.0
86.35354	0.8
87.00742	1.6
88.09495	0.6
93.03338	6.3
99.00714	0.6
108.36898	0.6
109.02867	1.5
111.04400	2.6
119.04912	29.4
120.05279	1.5
127.03871	1.5
131.28172	0.7
133.02890	1.0
135.04402	10.2
155.03432	2.2
155.09038	0.7
158.56664	0.8
161.02356	2.7
163.03912	56.7
164.04256	1.8
173.04462	14.8
175.88219	0.7
179.03407	8.5
180.03777	0.8
180.59830	0.6
191.05534	100.0
192.05893	3.8
255.10216	2.5
296.11304	0.6
337.09265	24.8
338.09637	1.9
342.55972	0.7
343.08347	1.5
353.08752	13.2
354.09259	1.3
393.00958	0.7
413.22672	0.7
420.98849	0.7
462.99033	0.7
517.13556	2.7
570.27887	0.7
691.18317	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	691.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.6
59.01250	1.5
67.01752	0.5
71.01257	0.9
71.04917	0.5
72.74693	0.7
83.04901	0.8
85.02820	10.0
87.00761	2.5
93.03320	9.3
98.20477	1.7
101.82723	0.7
109.02849	1.0
111.04396	3.7
119.04915	63.1
120.05238	2.1
124.68468	0.7
127.03898	2.1
133.02834	1.1
135.04417	4.7
145.02881	1.0
155.03416	2.4
161.02377	1.3
163.03922	100.0
164.04263	4.5
164.57724	0.7
171.02779	0.9
173.04460	8.4
179.03427	2.7
191.05542	99.9
192.05911	3.8
198.01193	0.7
198.92427	0.7
255.10254	0.9
300.20535	0.6
337.09268	53.5
338.09497	4.3
353.08661	6.2
354.09100	0.7
408.39948	0.6
555.89502	0.7
691.18707	1.0
724.55951	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86316	0.7
55.01763	3.4
57.03327	3.3
58.00461	2.5
59.01250	100.0
59.49720	0.5
60.01581	0.7
60.32538	0.6
61.98695	0.7
67.01764	0.7
68.99671	0.6
69.03340	2.7
71.01253	62.8
71.58443	1.1
72.01584	0.8
72.99178	4.1
73.02818	10.6
75.00761	0.8
81.03346	1.5
83.01253	10.7
84.02024	0.8
85.02819	23.4
87.00745	8.3
89.02316	34.5
93.03354	1.9
95.01264	6.4
96.95898	4.5
97.02831	2.9
99.00758	4.2
99.04412	0.8
99.73755	0.6
101.02321	35.9
101.76293	0.7
107.96857	0.7
111.00780	1.8
112.01568	2.4
113.02328	35.7
114.02697	1.3
119.03395	13.2
123.04424	3.3
124.01559	1.3
125.02320	6.5
131.03397	5.9
132.04994	0.6
132.70168	0.6
136.05203	0.7
137.02376	1.2
143.03401	8.9
149.04501	2.3
151.07533	0.7
155.03455	1.4
157.83374	0.7
159.02892	1.5
161.04460	12.9
173.04446	3.2
179.05537	15.3
185.04547	1.3
191.05594	1.9
203.05565	1.1
205.01018	0.7
205.03278	0.6
209.11732	0.7
221.06613	11.9
245.06696	1.3
263.07693	4.6
361.60873	0.6
408.18930	0.7
417.26431	5.2
418.26505	0.7
429.26117	2.9
439.30682	6.1
465.28467	4.8
466.29208	1.0
483.29501	16.6
483.35886	0.9
484.29843	1.6
525.31183	3.6
583.34790	1.3
608.00409	0.7
627.33740	32.0
628.34418	4.0
643.36786	2.1
645.34845	53.5
646.35394	7.0
687.35760	5.8
688.36786	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.2
58.00469	1.3
59.01249	100.0
60.01584	1.2
69.03348	1.5
69.26254	3.9
69.26683	4.1
71.01249	33.4
72.43652	0.8
72.99187	2.1
73.02811	16.6
83.01250	7.2
85.02820	13.1
85.35529	0.7
87.00745	3.9
89.02310	9.0
93.03339	1.3
95.01278	3.8
96.95894	1.7
97.02841	2.1
98.19814	1.5
99.00783	2.4
99.04361	0.8
101.02318	20.4
111.00797	1.2
112.01555	0.7
113.02333	18.4
119.03375	3.5
123.04426	0.8
124.01587	2.4
125.02333	6.7
125.06040	0.9
131.03368	1.4
135.04456	1.3
143.03412	4.1
143.07054	6.0
147.11752	1.6
149.04504	2.0
155.03430	0.9
157.08629	1.1
159.02910	1.1
161.04474	5.8
164.71974	0.7
173.04527	2.5
179.05521	1.9
191.03848	0.8
191.05623	2.1
201.17906	0.7
209.11842	0.9
221.06554	1.1
229.14487	1.1
229.19463	1.0
273.18616	2.2
291.19623	7.6
375.27676	1.1
381.22989	2.6
399.24011	2.4
453.25024	1.3
471.26114	1.5
489.24960	1.6
507.26257	1.0
513.26996	29.3
514.27148	3.6
525.27032	14.6
526.27850	2.0
541.28638	0.7
543.28094	40.5
544.28589	5.6
561.29083	12.9
562.29889	1.3
585.29114	7.1
585.36810	0.8
586.30243	1.3
603.30219	14.0
604.29840	0.9
645.31122	7.3
646.32361	1.1
647.36163	1.0
689.34393	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	683.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13829	0.4
57.03323	5.8
59.01245	4.7
62.90357	0.4
69.03314	1.4
69.32976	1.7
69.33398	2.4
71.01252	5.2
72.99149	0.6
73.02813	1.1
78.95790	1.1
80.02544	0.4
81.03334	0.5
83.01262	0.5
83.04894	1.0
85.02827	1.6
85.99989	0.5
87.00768	1.4
89.02283	2.3
95.04899	1.5
97.02843	0.5
97.06462	16.9
98.20562	0.9
101.02319	5.1
113.02356	2.3
123.08046	9.2
124.08363	0.7
125.09605	94.6
126.09933	3.5
143.10689	0.9
145.04962	1.2
152.99492	0.9
161.04442	1.2
169.08557	2.1
183.04559	0.4
187.09673	38.7
188.10039	1.0
235.08173	3.1
239.44647	0.5
253.09247	3.6
261.13434	0.6
277.21692	47.2
278.22070	3.9
405.17551	6.3
410.44574	0.5
423.18686	6.9
634.03662	0.5
683.40027	100.0
684.40350	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	687.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.8
57.03315	3.5
58.00467	2.8
59.01249	100.0
60.01585	1.3
61.26728	1.0
61.98700	1.1
69.03310	2.1
70.33698	4.5
71.01252	64.5
72.99175	6.0
73.02812	17.1
75.00751	1.4
78.95770	1.1
81.03319	1.6
83.01244	10.8
85.02821	22.1
87.00748	6.7
89.02319	35.3
93.03371	1.3
95.01266	7.4
96.95886	12.3
97.02836	4.1
98.95494	2.6
99.00758	4.1
101.02317	39.4
111.00768	2.0
111.04388	0.9
112.01601	1.4
113.02328	34.9
114.02670	1.0
115.91945	2.1
116.92754	5.2
119.03394	15.8
122.44609	1.1
123.04406	2.3
124.01517	1.2
125.02314	6.1
127.03905	1.1
131.03391	5.6
133.02859	1.3
134.03683	1.0
135.04413	2.2
137.02362	1.8
141.01563	1.0
143.03387	9.8
148.38541	1.0
149.04431	2.5
151.07578	1.7
155.03409	1.4
159.02934	1.8
161.04475	16.2
173.04474	2.4
179.03419	1.2
179.03728	1.3
179.05536	18.4
191.05563	5.4
203.05692	1.5
221.06587	12.6
258.54828	0.9
263.07721	5.3
286.85312	1.0
289.18298	1.0
321.24295	1.1
343.80029	0.9
417.26511	3.5
429.26416	2.7
439.30591	8.5
465.28229	4.9
483.29398	12.4
484.29730	1.7
525.30701	3.1
583.34924	1.7
607.20880	1.0
610.76660	1.0
627.33838	31.6
628.34308	3.7
643.37067	2.3
645.34894	51.7
646.35229	7.6
687.36151	15.7
688.36981	1.4
706.18280	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87393	2.0
59.01250	60.2
60.24196	2.0
66.72192	1.8
71.01263	15.2
71.15776	6.4
72.99163	2.0
73.02824	5.0
78.95792	2.9
83.01246	2.3
83.04908	2.5
85.02833	5.3
87.00737	6.3
89.02306	4.2
101.02322	11.1
109.96323	2.2
113.02301	6.5
137.09534	3.0
145.04930	2.4
161.04385	3.5
171.10152	14.5
213.14847	3.1
235.08215	7.8
241.18112	2.1
263.68539	2.1
275.16574	2.7
293.21262	4.3
315.27179	2.1
325.25378	5.1
341.24921	4.1
343.26413	6.0
359.21564	2.6
359.25864	8.1
369.24493	11.9
387.25381	37.9
388.25629	3.0
405.26331	26.8
623.34406	100.0
624.34991	15.0
651.24353	4.7
683.26587	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	683.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29222	0.4
57.03325	4.5
59.01247	6.0
59.84034	0.3
65.88143	0.3
69.03329	0.6
69.60978	2.5
71.01250	4.9
72.99190	0.4
73.02811	0.4
78.95781	0.7
80.02558	0.3
83.04891	0.9
85.02827	1.3
87.00754	0.7
89.02309	3.5
95.04906	1.0
97.06461	13.9
98.19836	0.5
101.02326	3.7
113.02332	2.1
119.03394	1.1
123.08035	6.4
125.09607	100.0
126.09952	3.5
143.03453	0.5
143.10667	1.6
149.84868	0.3
152.99425	0.8
161.04474	1.0
169.08603	2.5
179.05496	1.1
187.09671	71.6
188.09979	2.8
201.11227	0.6
211.09711	1.0
253.09300	2.0
255.68945	0.4
261.13434	1.0
277.21704	13.8
278.22128	1.8
291.94000	0.3
402.03473	0.4
405.17545	5.5
406.17673	0.7
423.18719	18.3
424.19144	1.4
521.34778	0.5
683.40039	75.9
684.40399	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36880	1.5
68.01074	1.3
71.57311	1.4
71.57758	2.4
76.96798	1.3
84.93504	1.4
85.02856	1.6
89.02308	2.6
93.03325	4.0
94.46552	1.4
96.95894	1.6
101.02380	1.8
109.02808	2.3
121.02834	9.8
122.03613	3.8
133.02846	4.4
134.03629	55.9
135.04466	9.1
137.02356	9.6
139.03952	2.4
147.04387	2.2
149.02351	14.9
149.05971	14.3
150.03122	36.2
151.03566	2.0
153.01794	2.0
161.04401	1.7
164.04683	2.6
165.05461	43.1
166.05934	1.7
166.96945	1.6
173.04431	4.2
176.04549	1.6
178.02637	32.5
179.03339	6.2
180.04100	1.6
191.05530	17.4
193.04984	100.0
194.05350	5.0
195.06546	19.4
221.06213	2.0
234.06673	1.6
250.06439	2.4
282.09067	7.1
341.10330	22.4
342.10446	2.4
353.08679	4.8
385.95450	1.5
389.12402	50.4
390.12537	6.9
458.76337	1.9
477.13477	1.7
521.16595	3.0
551.17822	11.0
683.21973	15.0
684.21851	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	683.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.8
59.01249	50.0
69.03343	1.9
69.42376	4.2
69.42792	8.2
71.01247	17.8
71.04890	1.6
72.99155	1.6
73.02822	3.4
78.95802	1.7
80.35798	1.4
83.04917	2.0
85.02813	4.8
87.00760	6.6
89.02303	7.5
98.20560	3.2
101.02332	10.8
111.08025	1.6
113.02327	5.7
113.59271	1.4
119.03387	1.9
145.04993	2.9
146.87851	1.5
161.04445	2.4
171.10179	4.9
220.48105	1.5
235.08244	6.5
239.16568	3.0
253.09094	1.9
275.16483	2.7
277.21628	2.0
315.26898	2.3
325.25351	5.9
341.24884	4.1
343.26367	6.6
351.23077	3.3
359.25925	6.9
361.27350	2.3
369.24411	9.9
370.24539	1.8
387.25443	36.4
388.25565	2.1
405.26477	26.2
406.26776	3.2
479.30118	3.0
595.34863	3.7
605.33472	3.4
623.34259	100.0
624.34711	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	683.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04309	0.6
59.01256	2.0
67.01758	0.6
71.01265	2.9
71.11887	0.6
71.12217	1.3
77.03827	1.7
81.03325	0.7
83.04905	1.2
85.02814	3.7
87.00745	1.4
89.02307	1.3
89.03848	1.8
93.03323	10.9
95.01234	0.7
95.04922	4.7
96.95893	1.2
105.03342	20.1
109.02840	1.3
111.00786	0.8
111.04406	6.3
113.02266	0.7
121.02830	1.1
123.04424	2.0
125.02367	0.9
127.03859	0.8
129.01825	0.7
132.02036	1.2
133.02846	100.0
134.03737	3.8
135.04407	78.4
136.04732	2.6
137.02353	2.0
139.00279	5.5
139.03893	0.7
140.01047	2.4
149.02374	0.7
149.04509	1.6
153.01845	3.3
154.02629	4.4
155.03397	10.1
161.02344	34.5
162.02724	1.1
165.01892	1.0
167.03398	0.9
168.04179	0.8
173.04472	15.7
177.01849	47.7
178.02420	1.9
179.03410	67.0
180.03754	2.7
191.05537	34.5
192.05887	1.0
193.04999	2.5
317.08755	12.4
323.07239	0.6
335.07706	60.3
336.08105	3.1
341.08755	1.1
351.07104	0.7
353.08752	42.2
354.09003	3.7
367.10422	3.2
395.09671	2.7
515.14032	3.9
521.12787	2.4
683.18158	24.8
684.18536	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	683.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.2
60.99183	0.5
62.24691	0.4
67.01756	2.6
69.03310	1.2
71.01250	3.2
71.57925	0.6
71.58315	0.5
73.02809	0.7
74.02328	0.4
81.03304	0.5
83.04910	0.8
85.02818	4.7
87.00755	4.2
89.02305	1.2
93.03328	15.1
95.01284	0.7
96.95866	0.8
99.00751	0.7
99.04351	0.5
99.84192	0.5
101.02326	1.5
105.03359	1.0
105.86555	0.4
107.29867	0.4
109.02826	1.7
111.00758	0.7
111.04398	2.2
113.02323	1.6
118.10367	0.4
119.03381	0.6
121.02834	0.6
123.04391	3.9
125.02301	1.0
127.03899	1.4
132.02007	0.4
133.02856	5.4
134.03593	1.5
135.04414	13.0
137.02283	0.9
139.00299	2.0
140.01027	2.0
149.05847	0.5
153.01830	2.6
153.05467	3.2
154.02582	1.9
155.03413	4.6
155.52078	0.4
161.02359	4.9
165.01779	0.5
166.04951	0.6
167.03455	0.6
173.04459	6.3
177.01860	0.8
178.02586	0.9
179.03407	11.1
181.05019	0.5
182.10294	0.4
191.05530	100.0
192.05879	3.1
193.04959	1.0
205.05005	0.8
223.06026	1.4
307.07996	0.5
308.09058	0.5
317.08719	6.9
351.07196	0.9
352.07700	0.5
353.08740	34.3
354.09161	2.6
357.13513	0.7
367.10196	3.4
395.09787	5.6
425.11014	0.6
455.11929	1.8
457.59744	0.5
509.72873	0.5
515.13788	0.5
521.13086	0.6
551.17560	0.8
625.26764	0.5
683.18121	6.6
684.18835	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.2
60.99183	0.5
62.24691	0.4
67.01756	2.6
69.03310	1.2
71.01250	3.2
71.57925	0.6
71.58315	0.5
73.02809	0.7
74.02328	0.4
81.03304	0.5
83.04910	0.8
85.02818	4.7
87.00755	4.2
89.02305	1.2
93.03328	15.1
95.01284	0.7
96.95866	0.8
99.00751	0.7
99.04351	0.5
99.84192	0.5
101.02326	1.5
105.03359	1.0
105.86555	0.4
107.29867	0.4
109.02826	1.7
111.00758	0.7
111.04398	2.2
113.02323	1.6
118.10367	0.4
119.03381	0.6
121.02834	0.6
123.04391	3.9
125.02301	1.0
127.03899	1.4
132.02007	0.4
133.02856	5.4
134.03593	1.5
135.04414	13.0
137.02283	0.9
139.00299	2.0
140.01027	2.0
149.05847	0.5
153.01830	2.6
153.05467	3.2
154.02582	1.9
155.03413	4.6
155.52078	0.4
161.02359	4.9
165.01779	0.5
166.04951	0.6
167.03455	0.6
173.04459	6.3
177.01860	0.8
178.02586	0.9
179.03407	11.1
181.05019	0.5
182.10294	0.4
191.05530	100.0
192.05879	3.1
193.04959	1.0
205.05005	0.8
223.06026	1.4
307.07996	0.5
308.09058	0.5
317.08719	6.9
351.07196	0.9
352.07700	0.5
353.08740	34.3
354.09161	2.6
357.13513	0.7
367.10196	3.4
395.09787	5.6
425.11014	0.6
455.11929	1.8
457.59744	0.5
509.72873	0.5
515.13788	0.5
521.13086	0.6
551.17560	0.8
625.26764	0.5
683.18121	6.6
684.18835	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00455	1.9
59.01249	53.1
71.01252	31.1
71.58344	1.8
72.99177	2.8
73.02805	4.4
83.01257	2.1
85.02819	6.3
87.00750	2.4
89.02313	24.3
91.05451	1.1
93.03345	3.2
95.01252	2.5
96.95896	6.2
97.02796	1.2
99.04387	17.1
101.02322	14.5
104.97092	1.1
109.02861	1.1
113.02329	9.4
115.00243	1.2
119.03388	8.0
134.03624	1.4
135.04398	6.4
143.03403	1.3
149.05965	2.6
153.84204	1.0
157.08592	1.2
161.02322	3.2
161.04462	3.1
165.05386	1.3
173.04457	4.0
174.03175	1.3
175.00233	1.8
175.03941	1.2
179.03401	11.6
179.05493	3.6
179.10657	1.8
181.04964	2.2
189.05496	5.1
189.12740	5.0
190.02553	2.1
191.03845	1.0
191.05495	6.2
193.05043	1.4
205.04970	3.1
207.06618	1.7
207.13849	20.9
208.14201	1.6
223.06009	1.9
223.09602	1.4
231.13837	1.6
233.11880	2.3
251.12863	93.2
252.13109	4.3
275.12894	2.5
293.13992	2.6
357.13748	1.9
361.16653	2.0
367.10101	6.1
413.18100	2.3
431.19162	100.0
432.19550	9.7
455.19220	9.2
473.20071	1.9
547.13843	2.2
547.20764	2.3
547.27570	2.8
635.25598	10.3
639.60736	1.3
679.19879	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	679.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55516	0.5
55.01747	1.3
57.03323	1.1
57.21286	0.5
58.00455	1.7
58.48358	0.6
59.01249	35.7
63.53509	0.5
68.99683	0.8
69.03330	2.7
71.01253	33.9
71.58274	0.6
71.58705	0.6
72.99181	2.9
73.02811	5.3
81.03316	1.7
83.01259	3.5
85.02821	8.4
87.00746	7.0
89.02312	26.6
91.03888	0.6
95.01263	2.4
97.02827	4.8
97.57432	0.6
99.00753	2.3
101.02320	29.1
102.02630	0.7
103.00208	0.7
108.82893	0.5
111.04404	0.9
113.02328	13.4
115.03893	0.5
119.03381	8.8
121.02831	0.7
125.02345	10.9
131.03395	1.4
139.03934	1.0
139.85977	0.5
143.03413	5.3
149.04425	0.7
152.99460	0.7
155.07834	0.5
156.02730	0.5
161.04469	7.1
167.03410	1.4
179.05556	5.6
217.07091	0.7
219.05035	0.7
221.06656	1.7
224.74280	0.5
235.08199	14.3
245.06584	1.1
253.09274	4.3
263.07669	1.1
277.09381	1.3
281.24854	100.0
282.25217	7.4
287.07779	2.4
305.08780	3.7
323.09827	0.9
361.11160	0.9
379.12323	0.8
397.13492	74.5
398.13672	3.7
415.14529	28.9
416.14926	1.7
417.71680	0.7
508.34830	0.6
519.39258	0.5
560.49908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95858	0.4
59.01252	3.1
66.16838	0.3
71.01254	4.1
71.35270	0.8
73.02823	1.4
78.06915	0.4
85.02837	0.5
85.50262	0.3
86.41684	0.4
87.00761	1.2
88.03631	0.4
88.53329	0.4
89.02314	10.2
93.03352	0.4
96.95879	0.7
101.02309	1.1
103.03928	0.7
104.98473	0.4
107.04923	1.0
113.02275	0.6
117.03411	0.5
121.02834	0.4
126.46533	0.4
131.03383	3.0
132.02049	0.8
133.02846	4.6
134.03627	3.5
135.04411	100.0
136.04752	3.5
147.04237	0.4
149.02383	2.6
149.04454	23.4
150.04738	0.6
160.01489	0.9
161.02350	16.0
161.03696	0.8
162.02689	0.8
162.66405	0.4
164.04689	2.4
165.01848	0.6
173.04535	0.4
175.00291	1.9
175.03911	1.2
179.03413	87.8
180.03746	3.6
190.02637	5.0
191.03365	0.5
191.05602	1.0
193.04950	0.6
205.04990	8.5
221.04518	0.4
223.06056	3.5
265.07156	0.4
270.62146	0.4
297.09802	1.2
311.07712	1.2
323.07681	2.7
337.09100	0.7
341.08701	4.8
342.09192	0.5
353.09109	0.5
367.10315	17.2
368.10608	1.5
431.22757	0.5
473.13058	2.5
482.75146	0.4
503.15536	8.8
504.15894	1.0
529.13464	8.1
530.13898	1.0
547.14587	10.1
547.27917	0.8
548.15002	1.5
679.18903	4.7
679.30841	0.6
680.19476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	53.6
71.01265	1.0
71.58218	1.1
81.03340	6.5
83.04899	16.4
85.02840	1.1
89.02274	1.0
89.86727	1.0
92.74164	1.0
96.95866	2.1
179.03473	1.1
191.05573	2.8
199.68794	0.9
211.13383	3.5
213.15059	1.3
225.16032	4.1
227.33098	0.9
274.45282	0.9
298.25281	0.9
307.23758	1.0
384.71884	0.9
391.29507	6.6
490.39981	1.1
510.31812	1.1
517.37677	1.0
533.40735	1.2
599.45264	2.1
617.46411	100.0
618.46619	16.8
691.17896	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23008	0.1
58.02840	0.3
59.01243	0.7
71.01246	0.4
72.04408	0.1
72.97876	0.1
73.02819	0.1
80.04935	0.3
81.03327	8.8
82.03654	0.2
82.06477	0.1
83.04893	22.1
83.30037	0.1
84.05217	0.5
85.02811	0.2
87.00755	0.1
89.02313	0.4
93.03291	0.1
96.37025	0.1
96.95883	0.3
100.07552	0.4
101.02302	0.3
107.06011	0.5
108.04430	0.7
113.02348	0.2
117.50063	0.1
125.07085	1.6
126.05487	0.6
131.03423	0.1
133.04977	0.6
135.04407	0.1
143.08153	0.7
144.86067	0.1
149.04443	0.4
166.12321	0.1
173.04530	0.2
179.03406	0.2
191.05487	0.4
193.04858	0.1
199.17993	0.1
207.14977	1.9
224.17632	3.8
225.16029	16.2
226.16377	0.8
242.18727	1.2
249.11420	0.1
250.15540	0.2
268.16614	0.4
278.78836	0.1
290.22351	0.3
291.20660	0.2
307.24008	0.2
308.23315	0.2
309.21704	0.9
324.26517	0.9
333.22980	1.3
334.21414	0.1
339.27609	0.2
341.29211	1.5
342.29294	0.1
350.24640	0.2
351.24075	0.3
367.27048	1.1
368.25943	0.1
385.28165	0.4
390.31253	0.1
407.33984	0.2
433.31891	1.6
434.32053	0.2
450.34515	1.8
451.32874	7.2
452.33078	0.7
468.35101	0.2
508.42120	0.1
535.38379	0.2
545.23407	0.1
550.43274	1.2
551.43878	0.2
559.40063	0.5
565.44446	0.4
567.45538	0.2
593.43829	0.7
594.44434	0.2
604.90436	0.1
659.48505	1.6
660.49017	0.2
677.49646	100.0
678.49963	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25105	0.1
55.01754	1.2
57.03325	1.0
58.00195	0.2
58.00463	2.1
59.01249	38.4
60.01581	0.1
60.99187	0.1
67.01765	0.3
68.99684	0.5
69.03324	2.3
70.00671	0.1
71.01250	36.4
71.29546	0.3
72.01585	0.4
72.99179	2.9
73.02816	6.2
75.00749	0.9
78.95779	0.2
81.03328	1.6
83.01256	4.0
83.04894	0.4
84.02058	0.2
85.02819	8.1
85.99979	0.4
87.00745	8.8
87.04363	0.3
89.02313	29.0
90.02657	0.3
91.03860	1.0
93.03316	0.3
95.01257	2.5
95.04887	0.2
96.95874	0.1
97.02824	6.5
99.00755	2.2
99.01355	0.2
99.04388	0.6
101.02318	31.1
102.02659	0.4
103.00239	0.2
103.03891	0.4
107.03405	0.2
107.04934	0.1
109.02838	0.7
111.00767	0.5
111.04414	1.1
112.01503	0.2
113.02325	14.1
114.02646	0.3
115.03904	0.7
119.03386	8.3
120.03718	0.2
121.02842	0.5
123.00797	0.2
123.04414	0.4
124.01538	0.4
125.02332	11.9
126.02626	0.3
127.03880	0.6
129.01828	0.3
131.03397	1.3
133.04962	1.1
135.04387	0.1
137.02328	0.4
139.00255	0.1
139.03902	0.9
141.01865	0.6
142.02600	0.1
143.03394	5.9
144.03786	0.1
145.04953	0.2
149.04486	0.9
151.03902	0.3
152.99419	0.3
157.04916	0.2
159.02959	0.2
161.04456	6.2
162.04822	0.1
163.03885	0.2
167.03429	0.7
169.04967	0.5
171.02917	0.2
173.04401	0.1
179.05524	6.0
179.20219	0.1
180.05948	0.1
181.05045	0.2
185.04488	0.5
199.06033	0.6
203.05542	0.3
203.45180	0.1
217.07109	1.1
219.05107	0.5
220.19897	0.1
221.04564	0.2
221.06624	2.4
235.08185	12.6
236.08595	0.4
245.06613	0.9
253.09264	3.6
254.09578	0.2
261.22183	0.5
263.07672	1.3
269.06607	0.1
277.09183	0.8
279.23264	100.0
280.23602	7.7
280.26764	0.3
287.07693	3.2
293.24829	0.3
304.07748	0.2
305.08752	3.3
306.09241	0.3
321.23788	0.1
323.09796	1.3
331.06500	0.1
361.11362	0.5
379.12582	1.0
397.13474	68.0
398.13821	4.3
415.14548	28.3
416.14801	1.6
505.73721	0.1
595.29022	0.2
675.97485	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	677.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00461	3.0
59.01250	100.0
65.68781	2.1
66.47935	2.1
69.48473	16.1
71.01253	61.1
72.99165	5.4
73.02809	13.1
79.05395	2.4
83.01254	6.6
85.02824	12.4
87.00751	2.6
89.02315	53.6
93.03338	3.5
95.01251	3.5
95.28265	2.1
96.95879	7.5
99.04375	8.7
101.02317	37.9
101.93393	2.0
105.06991	2.0
106.43439	2.0
111.04386	3.4
113.02324	29.6
119.03383	25.3
131.03410	4.9
134.03625	5.0
135.04382	6.3
137.02393	2.0
139.35129	2.4
143.03406	6.7
149.04454	5.1
149.05957	2.6
157.06439	2.2
159.08028	3.9
161.04460	7.6
161.13246	20.8
165.05482	2.2
169.10173	2.4
173.04405	4.6
178.02588	4.2
179.03293	2.7
179.05562	20.7
185.13217	3.2
187.11212	43.5
188.11526	3.1
190.02644	4.4
191.05521	10.0
193.04979	10.0
205.12254	61.5
206.12730	3.5
229.12242	19.7
231.10172	2.2
247.13466	5.0
249.11290	99.3
250.11761	4.3
291.12537	2.8
351.14401	2.7
367.10123	2.5
385.18570	12.6
407.67398	2.2
411.16455	6.8
429.17291	95.7
430.17551	9.6
453.17645	13.8
471.22903	5.0
487.21329	2.2
561.16125	5.8
633.23944	17.3
634.25256	3.1
677.34613	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.4
57.03324	1.3
58.00469	1.9
59.01250	40.8
60.01596	0.4
67.01762	0.3
68.99690	0.4
69.03016	0.3
69.03328	2.3
71.01252	34.8
71.06760	0.7
72.01599	0.4
72.99175	2.0
73.02817	6.3
75.00755	0.7
78.84727	0.3
81.03310	1.5
83.01259	4.5
83.04896	0.4
85.02819	7.2
87.00751	8.0
87.01263	0.5
87.04404	0.3
89.02313	30.0
91.03902	0.8
93.03328	0.3
95.01261	2.6
97.02826	6.0
99.00761	1.7
99.80901	0.3
101.02319	30.0
102.02670	0.6
103.00226	0.3
103.03846	0.5
109.02869	0.3
111.00755	0.7
111.04411	1.0
111.73704	0.3
113.02330	14.4
115.03931	0.7
119.03391	10.2
120.63522	0.3
121.02792	0.6
123.00807	0.4
123.04413	0.3
125.02332	12.5
131.03372	1.7
133.04979	1.0
137.02347	0.4
139.03902	1.1
141.01816	0.8
143.03392	5.8
149.04445	1.0
161.04453	7.2
163.03917	0.3
167.03363	0.5
169.05040	0.4
179.05530	4.9
185.04518	0.6
199.06097	0.4
203.05518	0.4
217.07114	0.8
221.06551	2.2
235.08186	13.5
245.06705	0.8
253.09251	4.6
261.22141	0.6
263.07755	1.3
264.73077	0.3
277.09286	1.1
277.21658	0.5
279.23273	100.0
280.23618	7.3
287.07614	2.6
293.24686	0.4
305.08752	3.5
323.09921	1.7
361.11084	0.5
379.12454	0.9
397.13486	73.1
398.13846	4.9
415.14560	29.5
416.15076	2.2
626.11224	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	2.1
58.00483	2.7
59.01249	100.0
69.60695	11.9
71.01254	59.3
72.99182	5.0
73.02806	10.2
83.01256	5.0
85.02818	16.1
87.00747	4.0
89.02318	50.5
93.03349	5.1
95.01300	4.0
95.04896	2.8
96.95901	11.8
99.04376	8.5
101.02321	34.3
107.04842	2.6
109.02847	1.7
111.04389	3.5
113.02332	27.9
113.39490	1.8
119.03411	22.7
119.04922	13.3
119.65356	1.8
120.05196	2.6
125.02313	2.1
131.03380	4.1
133.02818	2.1
135.04410	8.4
137.02299	1.8
143.03424	9.5
149.04474	4.5
155.03453	1.8
159.11821	1.8
160.01576	4.9
161.02287	3.4
161.04440	9.6
161.13280	23.4
163.03947	11.0
164.04236	4.9
166.02635	1.9
169.10091	2.2
173.04517	5.7
175.03957	6.2
179.03464	2.7
179.03716	2.7
179.05522	21.1
185.13303	2.2
187.11220	49.4
191.04001	1.8
191.05492	12.9
201.12743	1.8
203.05431	2.3
205.12274	49.7
206.12614	3.4
229.12335	16.9
231.10193	4.3
247.13321	4.2
249.11276	71.6
250.11676	4.5
291.12283	3.5
337.09116	2.3
351.14264	3.7
385.18655	10.3
411.16501	6.0
429.17606	81.1
430.17957	7.7
434.44101	1.6
453.16949	8.3
454.17245	2.3
503.14551	6.6
515.14355	1.9
633.23706	11.9
634.24854	1.9
677.17651	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46363	0.7
59.01245	8.8
67.01746	1.4
69.68735	2.7
69.69144	2.9
71.01250	4.7
71.05983	0.9
78.10596	0.9
78.81745	0.8
83.04896	1.1
85.02818	9.0
87.00745	2.8
89.02302	2.7
93.03335	11.7
96.95874	3.7
101.02312	3.1
109.02833	1.4
111.04404	2.5
113.02330	1.7
119.03375	1.3
127.03890	1.9
129.01901	0.9
133.02850	9.0
135.03403	1.7
135.04408	26.6
137.02333	1.1
155.03419	2.1
161.02344	28.5
161.04361	1.2
162.02594	1.3
171.02916	1.1
173.04474	9.2
173.05873	1.6
179.03407	29.4
191.05536	100.0
192.05919	2.6
221.04460	0.9
259.90530	0.8
266.82413	0.8
274.61926	0.9
300.56009	0.9
323.07654	5.7
351.21756	2.4
352.22076	2.9
353.08774	4.3
353.22385	1.4
382.19345	0.8
485.10709	2.1
503.11743	3.1
515.13446	4.0
677.17114	65.2
678.17322	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	675.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.6
57.03318	1.5
58.00468	2.5
59.01249	54.1
60.01580	0.5
67.01757	0.3
68.99677	0.6
69.03319	3.1
71.01250	43.0
72.01592	0.6
72.99182	3.1
73.02817	7.2
75.00738	0.9
81.03336	2.1
83.01253	4.9
83.04900	0.4
84.01584	0.3
85.02817	9.5
85.99970	0.5
86.03136	0.2
87.00748	9.9
87.04382	0.4
89.02312	37.4
90.02645	0.5
91.03883	0.6
93.03352	0.5
95.01263	3.3
95.04891	0.3
96.01572	0.2
97.02820	7.7
97.06510	0.2
99.00748	2.7
99.04382	0.6
100.65189	0.2
101.02319	32.9
102.02676	0.5
103.00233	0.3
103.03909	0.4
107.03400	0.2
109.02828	0.8
111.00777	0.6
111.04387	1.0
112.01570	0.4
113.02326	16.4
113.05949	0.2
115.03867	0.8
119.03382	11.1
121.02840	0.7
123.00744	0.4
123.04386	0.3
124.01527	0.4
125.02333	15.0
126.02610	0.4
127.03877	0.7
127.07589	0.2
129.01854	0.2
131.03427	1.8
133.04968	1.3
135.04419	0.2
137.02312	0.5
139.03908	1.3
141.01787	0.9
141.09119	0.2
142.02634	0.2
143.03395	6.7
149.02321	0.2
149.04440	1.4
157.05043	0.3
161.04460	8.7
162.04802	0.3
167.03400	1.3
169.04987	0.5
171.02907	0.5
179.05527	7.2
181.05005	0.3
185.04414	0.9
189.10750	0.2
199.06021	0.5
203.05557	0.5
205.19524	0.4
217.07094	1.2
219.05037	0.5
221.06581	3.1
233.22774	0.3
235.08174	15.2
236.08467	0.6
241.46431	0.2
245.06590	1.0
253.09250	4.5
259.08258	0.2
259.20651	0.5
263.07690	1.7
275.19952	0.4
277.09705	0.9
277.21698	100.0
278.22061	7.8
287.07697	3.3
291.23297	0.5
305.08765	4.3
306.09274	0.2
323.09790	2.0
361.11331	0.6
379.12479	1.2
397.13467	80.8
398.13791	5.9
415.14532	33.7
415.20441	0.3
416.14893	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	675.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78419	0.2
55.01757	1.7
57.03318	1.6
58.00468	2.3
59.01249	49.3
60.01577	0.4
67.01766	0.3
68.99697	0.4
69.03333	2.6
71.01250	40.9
72.01594	0.4
72.99178	3.0
73.02818	7.3
75.00729	0.9
81.03326	1.8
83.01254	5.8
83.04877	0.4
83.06291	0.2
84.02024	0.2
85.02821	10.6
85.99969	0.4
87.00214	0.5
87.00748	9.2
87.04377	0.3
89.02313	33.5
90.02646	0.4
91.03883	1.0
93.03341	0.5
95.01264	2.9
97.02826	6.7
98.19770	0.5
99.00751	2.3
99.04393	0.6
101.02318	34.8
102.02673	0.5
103.00263	0.4
103.03905	0.5
107.04977	0.2
109.02839	0.8
111.00764	0.7
111.04378	1.1
112.01568	0.2
113.02324	17.7
114.02628	0.4
115.03895	0.7
117.33521	0.2
119.03384	10.3
120.03628	0.2
121.02837	0.7
123.04398	0.4
124.01598	0.4
125.02331	13.6
126.02690	0.4
127.03881	0.5
129.01894	0.3
131.03386	1.8
133.04961	1.3
135.90997	0.2
137.02339	0.4
139.03903	1.0
139.73579	0.2
141.01854	0.7
143.03395	6.6
145.04933	0.3
149.02420	0.2
149.04478	1.0
151.03903	0.3
157.04912	0.3
161.04460	10.7
162.04831	0.3
162.69347	0.2
167.03403	0.8
169.04976	0.6
171.02971	0.4
179.05521	7.1
182.13104	0.2
185.04253	0.4
199.06094	0.7
203.05573	0.6
217.07124	1.0
219.05081	0.5
221.06573	2.5
233.22803	0.3
235.08179	14.7
236.08517	0.6
243.39241	0.2
245.06612	0.9
253.09253	7.5
254.09630	0.2
259.20645	0.5
263.07681	1.7
270.17056	0.2
275.20123	0.5
277.09622	1.1
277.21698	100.0
278.22037	8.7
287.07690	3.5
291.23294	0.3
294.95886	0.2
305.08783	3.4
306.09253	0.2
319.10547	0.2
323.09802	2.2
361.11334	0.6
379.12546	1.2
386.65826	0.2
397.13474	82.0
398.13794	6.3
415.14548	34.6
416.14880	2.6
575.16211	0.3
675.36011	0.3
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
59.01245	1.5
60.35868	0.1
64.52085	0.1
66.30220	0.2
67.01743	0.4
69.57561	0.6
69.57993	0.6
71.01249	1.0
71.69920	0.2
73.02802	0.4
78.15440	0.2
83.04858	0.2
85.02821	5.6
86.63708	0.2
87.00752	1.1
87.36538	0.2
93.03326	3.4
96.95900	0.3
98.20581	0.3
99.04393	0.3
101.02304	0.3
109.02842	0.5
111.01603	0.2
111.04405	0.8
117.03351	0.2
119.04894	0.8
124.22027	0.2
127.03886	1.9
131.71260	0.2
135.04413	0.2
137.02284	0.3
138.02258	0.2
145.02827	0.6
155.03355	0.2
163.03938	1.3
171.02901	0.5
173.04468	1.7
179.03395	0.2
191.05530	100.0
192.05891	3.4
219.54736	0.2
242.89519	0.2
270.47351	0.2
337.09256	21.6
338.09665	2.0
441.06903	0.2
691.22351	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07740	3.0
59.01253	28.8
71.01241	22.2
71.57783	3.8
73.02779	3.9
75.00811	3.3
78.95776	72.7
83.01248	5.1
87.00768	5.6
89.02328	15.1
92.70491	2.8
96.96838	11.7
97.02829	3.9
101.02340	20.3
104.99823	2.9
113.02347	3.9
119.03410	5.2
125.02288	5.9
143.03387	3.3
152.98296	6.0
152.99495	87.5
161.04478	4.0
174.75893	2.9
178.95900	3.2
179.05563	4.6
191.05463	4.3
194.14363	2.7
198.28409	3.1
223.00073	11.8
235.08206	9.2
241.01181	19.8
263.53427	3.0
270.83673	2.9
277.21710	82.2
278.22171	8.2
315.04825	8.4
355.02850	4.2
397.13547	39.5
398.13989	3.4
401.37616	3.2
415.14484	13.8
479.92365	3.3
593.27325	100.0
594.27350	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	673.133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	54.2
61.98682	37.2
63.89676	27.1
70.15655	100.0
76.10818	21.2
98.20486	31.7
121.02873	41.3
154.04929	26.1
157.95412	26.7
173.04607	27.6
183.97015	25.7
186.03142	23.9
401.26227	26.2
597.23730	31.2
667.27612	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.1
61.45099	0.8
71.57954	0.9
88.34035	0.6
108.34701	0.7
113.06329	0.9
121.02841	100.0
122.03195	4.0
161.23604	0.7
165.01828	3.3
167.39609	0.7
181.06487	2.8
187.00107	0.9
197.06070	1.6
207.04469	1.0
209.04488	45.0
210.04817	2.7
210.86688	0.8
225.05579	1.9
291.42606	0.7
295.06168	1.1
313.07245	2.1
353.06940	0.9
357.06046	0.8
402.54913	0.6
417.09805	2.3
457.09479	1.7
505.11465	1.3
545.09991	0.9
549.10327	6.0
550.09723	0.8
552.45630	0.7
571.08527	13.9
572.08826	1.5
593.13013	29.6
594.13306	4.7
631.09528	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	669.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	1.9
58.00440	0.5
59.01247	18.1
67.01748	0.9
67.79790	0.5
68.20743	0.5
69.03320	0.9
70.86377	1.8
71.00893	1.0
71.01250	12.2
72.99159	1.7
73.02818	3.7
83.01235	2.2
85.02819	4.0
87.00745	1.8
89.02311	6.3
93.03316	2.3
95.01256	1.5
96.95855	1.4
99.00767	0.7
101.02314	7.4
109.02854	0.6
110.39823	0.5
110.94193	0.5
113.02315	4.3
119.03352	1.4
121.02852	0.9
122.05904	0.6
123.00742	0.6
125.02304	0.9
131.03349	0.7
135.04352	1.5
137.02287	1.0
145.02806	0.6
149.02357	0.7
149.04419	1.3
151.00197	2.0
152.99500	0.5
153.01825	0.6
157.12234	1.0
161.02361	0.6
165.05466	0.6
166.02591	3.6
167.03336	0.8
169.12163	1.1
173.04424	2.3
175.03860	0.7
179.03406	1.4
181.04974	8.8
182.05333	0.8
185.11697	1.5
191.03278	0.7
191.05493	2.6
203.03448	2.8
211.13304	2.3
215.12851	1.2
218.05795	3.2
219.06076	0.7
223.05992	0.7
233.08081	2.7
315.16040	0.6
327.21683	0.9
329.23291	2.4
345.22818	0.7
355.24698	0.7
357.26434	6.2
360.65198	0.6
373.25809	1.1
374.26187	0.7
375.27466	21.7
376.27820	2.2
397.13742	1.4
415.13928	2.3
417.55145	0.6
447.16467	7.6
448.17346	0.9
519.31879	2.6
536.30780	0.6
537.32758	100.0
538.33167	10.2
548.99091	0.6
625.30280	1.7
669.37024	42.9
670.37378	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	671.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	5.3
57.03321	6.9
58.00473	1.6
59.01249	100.0
59.68275	1.0
69.03311	2.1
71.01250	84.9
71.58669	1.4
72.01566	1.5
72.99161	3.8
73.02818	25.9
78.95765	2.6
78.96220	1.0
81.03314	2.7
83.00804	1.3
83.01254	16.2
85.02822	44.0
87.00734	5.0
89.02317	14.2
93.03345	1.9
95.01260	8.3
96.95871	3.5
97.02812	4.5
99.00745	9.8
101.02317	63.2
101.84673	1.1
111.00751	2.6
113.02327	41.7
119.03389	5.1
119.93083	1.2
123.04388	2.3
125.02345	7.7
129.01836	2.3
131.03438	1.5
143.03419	8.8
152.07060	1.5
159.02884	7.7
160.42641	1.1
161.04448	29.2
167.03310	1.1
167.07010	1.2
173.04439	2.5
177.09171	1.3
179.05467	2.3
191.05438	2.2
205.03415	1.6
207.10193	1.3
209.08461	1.1
209.11809	2.7
221.06613	3.0
225.11273	1.5
241.09798	1.4
242.77780	1.1
255.23259	2.3
315.13431	1.9
449.29077	1.6
467.30051	11.3
468.30817	1.3
502.16260	1.9
509.31122	6.6
611.34540	5.3
629.35370	53.0
630.35681	9.6
671.36444	77.2
672.36743	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	667.406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60883	0.2
59.01250	1.3
71.01253	1.5
71.58586	0.3
78.95802	0.2
85.02835	0.4
87.00731	0.3
89.02308	0.9
99.08015	0.2
101.02335	1.1
108.66570	0.2
113.02341	0.6
119.03428	0.3
123.08000	0.2
125.09603	0.8
127.11178	1.8
143.03383	0.2
153.09091	0.6
158.50401	0.2
161.04478	0.6
171.10176	100.0
172.10516	3.8
235.08087	0.9
253.09258	4.1
277.21707	44.6
278.22076	4.2
407.19278	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.4
57.03329	1.2
58.00454	0.9
59.01249	18.2
63.13966	0.4
67.89661	0.4
69.03338	0.4
71.01254	15.2
71.04903	0.8
71.57981	0.7
72.99199	1.4
73.02823	3.4
73.05701	0.5
83.01289	1.5
85.02816	5.2
86.47851	0.5
87.00759	0.9
89.02316	6.7
89.02817	0.5
93.03354	1.4
95.01276	0.8
96.95922	1.4
97.06506	0.6
99.00787	0.8
101.02318	7.1
101.02912	0.6
109.02944	0.5
113.02330	3.8
119.03407	1.7
121.02890	0.6
121.10194	0.6
125.02353	0.8
125.09641	0.8
131.03419	0.4
133.02872	1.4
135.04453	1.8
137.02374	0.6
139.11195	1.3
141.01680	0.9
141.12741	0.6
142.29294	0.4
149.02385	0.6
149.04498	0.8
151.00357	0.7
151.03906	0.4
152.01031	0.7
152.99574	0.6
155.13141	0.4
157.12270	1.3
161.04585	0.5
169.12328	1.2
171.10222	0.8
173.04503	1.8
177.01848	0.6
179.03418	1.4
185.11761	2.9
191.03815	0.7
191.05486	3.5
205.05017	0.6
213.11295	0.6
214.02586	0.6
215.12820	7.3
241.01428	1.3
242.02130	2.2
245.00937	1.1
270.01797	2.6
271.02353	0.8
285.04144	0.5
298.01324	1.1
299.01907	0.5
313.03513	16.5
313.24048	0.7
314.03992	1.9
325.23889	1.2
341.23425	0.5
343.24808	3.5
355.24911	13.1
355.29346	0.8
356.25336	1.4
371.24469	0.9
373.25925	21.2
374.26132	2.1
517.30017	1.9
518.30115	0.6
535.31207	100.0
536.31567	13.8
667.35449	35.8
668.35754	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	667.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01227	0.9
60.99167	2.2
65.50971	0.7
71.01272	0.9
71.57378	1.3
88.23895	0.7
88.98669	11.9
93.03297	0.9
109.02823	5.0
121.02837	10.2
122.03627	8.6
123.04369	1.7
124.01555	1.3
134.03619	1.1
135.04396	1.5
137.02330	2.4
147.04399	4.8
149.05940	0.9
151.00340	4.1
154.02599	1.3
161.04568	0.9
161.05986	1.7
165.04086	1.6
165.05481	22.0
171.04343	1.0
179.07048	6.4
191.05615	1.8
199.03889	1.8
223.09776	1.3
227.03401	2.0
243.02922	2.5
255.02901	1.3
271.02466	34.8
272.02811	2.4
299.01944	55.1
300.02557	10.6
301.03531	20.1
315.12421	2.0
316.12906	1.1
328.21069	0.8
346.14178	8.0
361.16553	100.0
362.16998	9.5
389.15997	2.4
462.08014	15.0
463.08817	7.4
464.08923	1.4
505.09964	7.3
506.10495	1.0
625.13318	1.1
667.15186	27.0
668.15686	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	667.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	6.2
65.45734	0.6
71.01247	5.9
71.35390	1.1
71.35718	0.8
73.02814	1.4
80.02566	0.7
80.31146	0.7
80.33375	0.7
85.02825	2.0
87.00732	0.8
89.02309	1.5
91.01766	0.8
93.03316	2.2
95.01241	0.7
95.65749	0.6
96.95889	0.6
97.57760	0.6
101.02323	2.5
108.02048	34.5
113.02339	2.5
119.01296	1.1
121.02843	1.0
123.04413	16.3
133.02855	0.9
135.04416	1.6
147.00832	1.3
149.02350	6.0
150.03114	2.5
151.00240	1.1
152.01054	73.9
153.01529	1.3
161.02313	0.8
163.03900	1.4
164.04703	6.4
165.01840	0.8
165.05453	0.9
166.02631	5.7
166.79828	0.7
167.03406	100.0
168.03723	3.1
173.04443	1.7
175.00281	13.6
176.01024	7.7
177.01645	0.8
179.07053	1.4
181.04929	3.7
190.02637	34.9
191.03369	7.9
191.05528	3.0
194.02187	0.7
205.04994	43.6
206.05324	1.7
208.03687	1.6
209.04465	3.6
223.06036	9.0
271.02341	0.9
299.02026	2.4
352.07922	0.7
353.08737	16.6
354.09238	0.9
367.10306	77.9
368.10620	5.6
442.21625	1.4
443.21945	1.8
477.97195	0.9
535.14539	41.7
536.14685	4.7
623.28241	1.0
638.41833	0.8
667.32849	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	665.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.1
57.03321	1.0
57.32012	0.9
58.00482	2.1
59.01252	56.1
60.01595	1.3
69.76359	4.9
71.01254	31.4
72.99200	2.8
73.02829	3.5
73.52792	0.9
82.13973	0.9
83.01257	2.6
84.25761	0.8
85.02811	7.1
87.00768	2.8
89.02316	23.2
90.03503	0.9
95.01264	3.5
96.40201	0.8
96.95896	1.4
99.00774	1.8
99.04391	3.1
101.02319	20.3
113.02331	11.6
119.03371	9.3
120.05281	0.8
123.48568	0.9
125.73311	0.9
135.04399	1.2
137.02313	1.0
143.03407	1.5
143.45676	1.0
144.25229	0.8
146.34981	1.0
161.04413	1.6
166.14821	0.9
173.04521	2.1
179.03450	1.1
179.05495	2.2
191.05515	2.6
193.05017	1.4
237.14893	1.2
283.40131	1.0
291.47855	0.9
353.10092	1.6
371.57159	1.2
381.19153	2.9
399.20282	9.6
400.20776	1.5
441.21268	100.0
442.21561	8.5
579.28363	1.0
621.27551	35.7
622.28082	5.3
665.32233	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70407	1.6
55.12156	1.9
57.03307	2.2
59.01250	58.4
61.98697	2.6
71.01253	27.6
71.58820	2.8
72.99184	2.3
73.02814	6.8
75.00747	2.3
78.95777	3.6
83.01251	2.9
85.02831	8.5
87.00769	4.5
89.02318	12.2
93.03336	4.4
95.01271	2.7
96.95880	42.1
98.95488	2.6
99.00762	2.6
99.11551	1.8
101.02307	13.6
113.02300	9.0
116.92743	5.2
131.03403	2.0
135.04384	2.8
141.01630	4.8
143.04909	2.2
149.04475	3.5
173.04434	5.7
179.03392	2.4
191.05553	7.1
285.20786	5.4
312.31888	1.9
429.24835	6.2
447.25867	18.5
479.19809	2.9
489.26965	21.4
490.26755	2.2
497.20126	2.4
520.65039	2.2
621.31232	100.0
622.31464	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	667.1506
Annotation	Euphorbianin
Peak:m/z	Relative Intensity
59.01247	0.3
63.02282	0.5
65.00214	0.8
68.80034	0.2
69.53355	1.9
83.01254	0.5
107.01261	1.7
109.02850	1.0
121.02818	0.6
125.02366	0.4
133.02841	0.6
135.00824	0.3
143.04930	0.3
147.00787	0.3
149.02380	0.5
151.00273	5.7
153.17519	0.2
163.00266	0.6
165.01901	0.3
169.01300	0.6
171.04430	1.1
175.00305	0.9
175.03909	0.9
178.99777	1.0
183.04407	0.7
187.03978	0.7
192.00471	0.3
193.01396	0.4
197.02492	0.3
198.03101	0.3
199.03949	3.6
200.04341	0.3
201.01877	1.1
201.05452	0.3
203.03438	0.5
211.03943	0.4
215.03391	2.0
226.02708	1.0
227.03438	3.1
229.04898	0.3
242.01945	0.5
243.02931	4.9
244.03291	0.3
254.02232	0.8
255.02913	1.8
271.02469	59.8
272.02850	3.7
273.03928	0.3
282.01620	0.3
285.04041	0.3
299.01953	100.0
300.02551	15.9
301.03519	23.0
302.03964	1.9
313.03503	0.8
342.03714	0.3
343.04477	1.0
396.74026	0.3
462.08020	23.0
463.08719	10.6
464.08902	0.9
481.92566	0.2
505.09854	14.5
506.10278	1.3
547.10687	0.7
625.14386	2.0
626.14374	0.3
667.15137	52.1
668.15533	7.9
668.26874	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80716	0.3
54.31295	0.4
55.55649	0.4
59.01249	5.9
61.75146	0.4
69.03305	0.4
71.01251	4.2
71.13426	0.4
71.13763	0.9
73.02819	1.7
83.01236	0.6
85.02816	1.7
86.32014	0.4
87.00743	0.5
89.02296	2.0
93.03316	0.7
94.88121	0.5
95.01333	0.4
101.02310	2.8
111.00751	0.5
113.02341	2.0
119.03357	1.2
119.04877	0.4
121.02832	1.4
131.03386	0.8
132.02065	5.2
133.02858	2.8
134.03624	53.0
135.04138	1.7
135.42870	0.4
137.02336	9.6
138.02731	0.4
139.03932	2.5
143.03421	0.5
149.02325	0.6
149.05977	18.2
149.07182	0.9
150.03128	0.9
150.06273	0.6
160.01561	27.9
161.02345	4.2
161.04462	1.0
173.04446	1.0
175.03918	30.5
176.04311	1.3
177.01831	0.6
178.02631	35.9
179.03302	2.5
179.05521	0.5
191.05536	1.3
191.07126	0.6
192.04204	1.8
193.04980	100.0
194.05327	3.2
197.05911	0.4
200.64105	0.4
207.06525	1.1
217.05057	0.4
221.04478	0.4
233.78055	0.4
235.06120	0.6
323.07678	5.0
337.09262	36.5
338.09512	2.0
531.15051	46.6
532.15405	4.9
543.28247	0.7
559.26947	0.7
577.28259	1.3
663.19183	3.3
664.19598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50717	1.0
59.01248	100.0
69.03315	1.0
69.48909	2.0
69.49304	8.4
71.01249	31.5
73.02808	15.4
83.01260	4.9
85.02821	8.2
89.02311	14.5
95.01266	3.6
96.95889	2.7
98.20602	2.1
99.00735	1.7
99.92596	1.2
101.02330	17.1
102.02632	1.3
109.02768	1.1
113.02328	18.6
119.02684	1.0
119.03371	5.6
125.02329	2.4
131.03394	1.7
134.79124	1.0
135.04468	1.8
137.02412	1.1
143.03418	3.5
145.02858	2.6
149.04417	2.6
155.03456	1.1
161.02344	1.1
161.04439	6.7
165.05487	1.3
173.04465	3.2
179.05516	3.2
191.05557	2.1
198.40463	1.1
208.03703	1.3
223.06087	2.8
307.08347	2.2
319.83673	1.3
337.09448	1.1
338.79623	1.2
397.22598	1.2
438.05609	1.3
497.53235	1.2
499.25516	9.5
500.25928	2.0
501.15045	1.6
517.26514	17.8
518.26782	1.5
531.14740	2.1
535.27521	3.6
559.27448	16.8
560.27789	2.3
577.28497	11.3
578.29065	2.8
619.29999	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	659.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01602	0.4
61.98688	0.5
70.64629	0.9
78.95765	2.4
88.95912	0.3
119.09190	0.3
152.99529	0.8
218.80894	0.4
237.63368	0.4
273.07678	0.5
279.23315	0.9
283.85611	0.5
389.39114	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57831	0.3
52.84552	0.3
53.75307	0.5
57.03307	0.8
59.01246	8.5
61.98686	0.4
69.03312	0.5
71.01249	6.5
71.20102	1.0
72.99186	0.6
73.02804	1.0
79.95621	0.5
83.01247	1.0
83.04887	1.0
85.02826	1.7
87.00723	0.8
89.02315	4.7
92.94403	0.3
93.03347	0.5
95.01271	0.5
95.04903	0.4
96.95882	6.2
97.06441	0.6
99.00771	0.5
99.93337	0.4
101.02330	5.0
113.02341	2.8
113.80553	0.4
119.03393	0.9
124.36349	0.4
135.04387	0.4
139.98705	0.4
161.04497	1.0
177.12627	0.5
179.05495	0.7
183.13818	10.6
191.05576	1.6
193.12233	1.7
195.13835	29.5
196.14130	2.1
211.13330	43.2
212.13730	2.2
213.14897	11.8
214.15279	0.8
223.13361	1.8
253.09306	2.4
315.27002	3.7
316.26736	0.4
327.26898	1.0
341.24991	0.5
345.27881	0.7
359.26044	3.8
371.25784	0.8
377.26965	5.9
389.26956	1.3
390.27551	0.5
393.07648	0.5
395.28104	1.5
407.27966	5.3
408.28604	0.7
425.29065	22.8
426.29492	3.5
579.19000	0.5
643.37836	0.5
661.38007	100.0
662.38336	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	658.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90022	0.5
54.96168	0.5
55.16205	0.6
58.09452	0.6
58.53078	0.6
59.01249	100.0
60.01571	1.2
62.27107	0.5
62.45545	0.5
71.58340	0.9
78.95767	2.1
90.69736	0.5
95.95315	0.7
96.95852	0.7
124.47681	0.6
141.01591	80.1
142.01929	1.6
152.99471	1.3
171.00574	0.8
191.05562	0.9
277.21667	3.7
357.15991	0.7
377.74054	0.7
411.20731	0.8
502.29483	3.1
635.03229	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.7
60.00079	0.6
63.74031	0.6
66.49054	0.6
70.05223	0.6
70.80669	2.0
71.01258	2.9
73.02816	0.8
80.02561	1.2
81.03313	1.0
83.04893	4.0
84.02059	0.8
85.02798	0.8
89.02312	2.3
93.03301	1.3
96.95860	1.2
101.02314	2.7
113.02321	2.0
130.07213	0.6
135.04437	1.0
161.04437	1.8
163.11246	3.2
165.12724	2.2
173.04440	1.3
183.13823	11.2
184.14154	0.8
191.05437	1.3
195.13818	9.9
209.11763	100.0
210.12088	5.5
211.13312	18.5
212.13704	1.3
213.14890	73.8
214.15211	3.8
221.78281	0.8
227.12798	9.9
235.08197	2.6
253.09235	15.2
318.12332	0.8
405.26459	3.2
423.27328	0.8
445.21140	1.1
447.22375	1.4
525.44958	0.7
641.35358	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83073	0.4
59.01250	100.0
60.01579	0.8
68.40868	0.5
70.87726	1.5
78.95783	1.1
82.89120	0.5
83.04908	0.5
136.92099	0.5
174.28168	0.5
201.14922	1.2
279.23419	0.6
477.35367	0.5
581.40509	0.6
583.14966	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.8
58.00451	0.5
59.01250	11.3
61.98691	0.9
69.03310	1.5
70.96819	1.2
71.01251	7.7
72.99163	0.8
81.03327	0.9
83.01234	0.7
83.04900	4.6
85.02822	2.7
85.06453	1.5
87.00755	1.1
87.14144	0.5
89.02312	5.0
93.03349	0.6
95.01243	0.6
95.04899	1.9
96.95881	1.3
97.02832	0.8
97.06455	1.8
101.02318	6.3
105.06952	0.7
107.04921	0.7
109.06454	1.5
111.08031	3.8
113.02328	3.0
119.03366	1.0
119.04887	1.1
123.08012	0.6
125.09630	5.9
133.06442	0.5
135.08049	1.1
137.09618	1.1
139.03911	1.6
150.06776	1.3
151.11131	1.1
153.09079	0.7
159.76627	0.7
161.04433	1.9
171.10178	22.4
187.14833	1.4
189.16440	0.6
191.05548	0.7
203.14371	0.5
205.15872	3.6
209.11760	4.3
211.13374	4.8
213.12750	0.9
213.14709	0.7
215.14372	2.1
219.10243	0.6
219.13821	0.7
221.15425	2.2
231.13863	3.6
233.15410	17.3
234.15742	1.1
249.14943	11.4
250.15375	0.8
251.16354	0.9
252.13455	0.6
253.09248	3.7
257.17532	1.0
261.91153	0.6
265.17804	0.6
283.19058	1.1
291.16080	0.5
313.25284	0.8
315.26895	0.9
323.23724	0.8
331.26358	2.2
341.24771	2.8
342.25372	0.6
357.24292	0.8
359.25824	1.6
367.22659	1.4
375.25543	0.8
377.26883	1.6
385.23914	5.7
386.23935	0.6
393.26370	0.9
403.24835	15.4
404.25058	1.2
417.13354	0.6
421.25916	18.4
422.26297	2.2
455.03098	0.9
477.74063	0.7
495.30289	0.7
495.36615	3.0
514.78723	0.5
613.36047	0.8
639.33777	8.8
640.34308	1.8
657.34845	100.0
658.35162	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34304	2.2
59.01251	100.0
63.51396	2.2
64.17234	2.4
71.58666	2.8
72.15614	2.2
78.95775	5.5
86.24224	2.3
105.37705	2.2
141.00488	3.4
141.01596	68.7
146.12445	2.3
152.99461	4.5
157.40852	2.6
163.05046	2.3
186.45569	2.0
195.61118	2.3
275.06210	4.8
277.21829	3.2
279.23175	4.8
295.17542	2.6
361.24197	2.5
393.21402	5.4
537.29041	5.1
664.40668	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	657.349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20168	0.7
57.03315	1.3
59.01243	12.5
65.03839	1.2
69.03309	1.3
71.01248	10.4
71.75593	0.7
75.01320	0.7
81.03329	1.0
83.01246	1.0
83.04903	3.9
85.02805	2.2
85.06464	1.0
85.46214	0.6
87.00761	0.8
88.00265	0.7
88.98678	0.7
89.02319	5.8
95.01254	1.3
96.95854	1.8
97.06462	2.6
99.00705	0.8
101.02310	7.4
107.08551	0.8
109.06467	1.5
111.08020	3.5
113.02300	2.7
119.03397	0.8
119.04890	1.0
121.02779	0.9
121.06459	0.7
123.08006	1.3
125.09602	8.7
135.04401	0.7
135.08051	1.0
137.09599	1.0
149.04547	0.7
151.11171	0.7
159.08076	0.8
161.04460	2.3
171.08743	1.1
171.10181	18.1
183.13806	1.3
185.11745	1.3
187.14763	1.9
189.16411	0.7
201.14728	0.7
205.15880	4.8
209.11745	4.6
210.11989	0.7
211.13322	11.1
212.13667	0.8
215.14360	2.3
221.15456	2.1
231.13808	2.3
233.15419	34.4
234.15755	2.6
249.14914	11.2
250.15221	0.8
251.16467	1.5
253.09279	4.3
257.17590	1.7
275.11279	0.9
313.25439	0.8
315.26831	1.1
323.23697	1.6
331.26389	2.4
337.31772	0.7
341.24863	3.5
359.25830	2.2
367.22760	1.8
375.25345	2.2
377.27057	1.6
385.23828	9.9
386.23953	1.6
403.24860	20.7
404.25040	1.9
410.16745	0.9
421.25897	13.0
422.26251	0.9
495.36926	1.1
639.33844	32.4
640.34082	5.4
657.34863	100.0
658.35229	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	657.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.4
61.87836	1.2
63.05099	1.2
69.53010	10.7
71.01243	1.5
79.12817	1.2
85.02821	1.7
93.03296	2.6
96.95879	1.8
98.25813	1.3
109.02856	1.9
114.32800	1.4
119.04911	1.4
123.00734	2.0
124.01534	2.6
125.01530	1.5
135.04362	1.8
137.02324	2.6
138.12769	1.3
139.03902	5.9
145.02809	2.7
147.04440	2.0
151.00262	16.1
152.00970	1.8
160.01773	1.5
161.02361	1.5
163.03911	2.3
165.01826	1.9
166.02606	42.8
167.03233	3.1
168.40341	1.3
173.02312	2.6
173.04462	1.9
174.03131	2.9
175.03899	8.4
176.04587	1.8
177.05504	2.1
177.77472	1.2
181.03387	3.2
181.04984	60.4
182.05241	2.1
188.04607	2.1
189.05452	2.3
190.06293	7.9
191.05505	4.3
193.04950	6.0
205.08607	7.6
208.07234	6.3
223.09705	17.5
269.04520	3.9
272.00604	1.4
297.04099	18.5
297.07291	2.5
299.09302	2.6
312.06421	15.0
313.06598	1.7
327.08728	29.6
328.09161	2.1
342.11066	45.0
343.11447	2.9
357.13397	66.3
358.13687	7.0
375.14502	17.7
405.15518	100.0
406.15646	10.3
417.15610	6.4
435.16663	8.7
686.21576	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	656.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98898	0.7
57.92295	0.7
58.49789	0.7
70.23586	3.2
78.95770	2.1
98.19916	0.7
126.51308	0.7
152.99527	1.1
330.29990	0.9
371.07611	1.1
373.09570	1.8
387.44943	0.9
573.16431	2.4
600.66687	0.8
656.25079	100.0
657.25201	22.8
672.81482	1.1
674.49011	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13244	0.6
50.74421	0.6
54.47649	0.6
54.92222	0.7
57.55174	0.7
59.01250	100.0
60.01577	0.7
71.01275	2.0
71.07023	1.6
85.02837	0.8
85.72856	0.7
89.02338	0.9
93.03365	1.2
101.02394	0.7
111.04374	0.7
113.02397	1.2
120.44395	0.7
132.33118	0.7
133.36940	0.7
137.02359	2.6
151.03944	1.1
161.02332	5.7
161.04465	0.8
165.01851	32.3
166.02271	1.2
173.04561	1.5
175.07617	0.9
176.04749	2.8
177.01959	0.7
179.03426	20.6
180.04190	23.8
181.04681	0.9
191.05577	4.1
191.07040	1.3
194.05779	10.9
195.06554	45.4
196.06969	1.8
209.08138	27.4
210.05292	5.8
210.08438	1.5
225.07632	90.9
226.08057	4.0
262.90463	0.8
329.10461	1.0
357.09821	2.1
372.12183	5.6
387.14456	33.3
388.14954	2.5
435.16592	21.6
436.17126	2.4
657.33966	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05860	1.2
58.96862	1.2
59.01249	100.0
59.63061	1.2
61.70372	1.3
69.03323	1.4
69.26306	7.6
69.26727	7.8
71.01234	4.7
77.57984	1.4
78.95768	1.9
93.19245	1.4
97.02833	5.9
97.06473	2.0
101.00797	3.8
102.98764	3.2
113.00861	2.9
117.00317	2.9
131.01918	1.6
141.01605	67.2
141.05417	3.0
142.04996	2.2
171.94623	2.6
173.02957	3.4
201.02505	2.9
257.05197	2.5
275.06235	25.1
277.21652	5.0
315.05826	1.7
317.07330	3.2
339.00177	1.7
341.59479	1.6
359.21481	1.4
391.19644	10.1
392.19989	1.8
470.00836	1.6
535.27588	21.7
536.27637	4.8
582.50983	1.7
595.29626	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	653.441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	40.4
59.57182	3.2
71.01250	9.6
71.58264	4.3
72.99138	4.0
73.02806	6.8
81.31300	3.3
85.02828	6.2
89.02320	6.8
92.18238	3.4
96.95877	7.2
113.02324	5.0
135.04340	4.3
141.01552	8.3
191.05492	4.1
199.85896	3.7
292.06369	3.7
389.17316	4.3
521.27563	7.2
593.36664	5.4
611.37695	4.3
653.33179	8.5
653.44153	100.0
654.44196	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	655.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53084	0.8
59.01248	100.0
71.01258	1.0
71.57977	1.5
98.48271	0.9
102.98716	0.8
104.47816	0.8
106.56635	0.7
112.67519	0.7
118.77472	0.8
141.01591	70.5
142.01900	1.2
172.25737	0.9
178.88866	0.8
197.88882	0.9
201.02477	1.2
257.05173	0.9
270.47211	0.9
275.06235	5.5
277.21722	2.9
317.07220	1.7
323.64099	1.0
339.00195	2.3
359.22137	1.3
391.19794	2.8
535.27710	6.3
536.27948	1.0
595.29877	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.9
57.03311	1.0
58.00466	1.9
59.01250	41.1
60.01568	0.7
68.51385	0.3
68.99677	0.7
69.03326	2.5
70.89687	0.7
70.90022	0.3
71.01251	37.8
72.01588	0.5
72.99179	2.8
73.02818	5.3
75.00755	0.6
78.95771	0.5
81.03339	1.9
83.01256	4.1
85.02334	0.6
85.02821	8.5
85.99953	0.3
87.00753	9.1
87.04388	0.4
89.02314	33.0
91.03889	0.7
95.01262	2.5
97.02824	6.3
99.00749	2.4
101.02319	30.6
102.02648	0.5
103.03883	0.4
109.02827	0.8
110.69579	0.3
111.00751	0.6
111.04387	1.0
113.02325	14.5
114.02672	0.3
115.03847	0.5
119.03384	10.0
119.71708	0.3
121.02827	0.5
123.04382	0.4
124.01498	0.3
125.02332	12.8
127.03840	0.4
131.03387	1.7
133.04959	0.9
137.02272	0.4
139.03885	1.5
141.01842	0.7
143.02324	0.6
143.03392	6.7
143.04510	0.3
149.04475	1.0
152.99498	0.4
157.05057	0.3
161.04457	7.0
162.04776	0.3
167.03377	1.0
169.04996	0.6
171.02873	0.4
179.05518	5.6
181.05002	0.3
185.04466	0.6
199.05995	0.4
203.05571	0.4
217.07117	1.0
219.05038	0.6
221.06589	2.5
235.08183	13.5
236.08572	0.6
245.06590	1.1
253.09277	3.9
255.23257	100.0
256.23590	7.4
263.07620	1.4
269.24911	0.4
277.09259	1.3
287.07748	3.9
289.65894	0.3
297.24576	0.4
305.08691	3.9
323.09781	1.7
361.11273	0.8
379.12241	1.5
397.13474	85.8
398.13776	7.8
415.14554	33.3
415.19016	0.4
416.14941	2.5
516.23657	0.3
571.27954	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74879	0.9
59.01252	0.9
68.18839	0.9
70.94252	0.8
78.95760	1.8
98.20495	2.1
104.11851	1.0
136.22586	0.9
152.99435	1.8
159.75534	1.2
229.29501	1.3
238.76303	1.1
299.20145	100.0
300.20575	10.8
300.23959	1.4
309.86237	0.9
324.53336	1.0
430.80789	1.0
439.09720	0.9
582.36237	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30440	0.2
55.01754	1.5
56.18027	0.2
57.03336	1.3
58.00464	2.1
59.01250	43.6
60.01577	0.6
68.99680	0.7
69.03328	2.4
70.01712	1.2
71.01252	36.4
72.01596	0.5
72.99181	2.9
73.02812	6.2
75.00745	1.1
81.03333	2.0
83.01259	4.5
83.04897	0.3
85.02823	8.0
85.99970	0.4
87.00748	9.1
87.04390	0.5
89.02315	33.1
90.02690	0.4
91.03875	0.9
95.01253	2.6
97.02829	6.7
99.00753	2.0
99.04369	0.5
101.02321	31.3
102.02642	0.7
103.00286	0.2
103.03905	0.5
109.02852	0.7
111.00761	0.8
111.04380	1.4
112.01575	0.2
112.14040	0.2
113.02332	15.2
114.02687	0.5
115.03902	0.7
119.03390	9.6
121.02843	0.5
123.00813	0.5
123.04429	0.4
124.01573	0.5
125.02336	12.7
126.02676	0.3
127.03877	0.7
129.01840	0.3
131.03410	1.5
133.04967	1.3
137.90982	0.3
139.03915	1.2
141.01802	0.7
143.03401	6.5
149.02364	0.6
149.04457	1.0
151.03975	0.2
157.04979	0.3
161.04475	7.0
162.04904	0.3
167.03452	0.9
169.05026	0.6
171.02888	0.4
176.88162	0.2
179.05527	6.7
179.49217	0.3
185.04483	0.9
199.06044	0.6
203.05536	0.3
217.07103	1.1
218.11905	0.2
219.05000	0.6
221.06583	2.6
235.08189	14.7
236.08493	0.5
245.06627	0.9
253.09262	3.2
255.23264	100.0
256.23611	7.2
263.07727	1.5
269.24887	0.7
277.09311	1.0
287.07709	3.5
305.08746	4.0
323.09863	1.6
361.11536	0.4
379.12366	1.3
397.13480	85.0
398.13852	6.3
415.14554	30.5
416.14874	2.1
653.36450	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	4.6
57.03330	5.7
58.00462	3.0
59.01248	100.0
60.01570	1.6
60.25965	0.9
68.99660	1.3
69.03294	2.1
71.01250	88.9
71.50129	1.6
72.99178	4.9
73.02434	1.7
73.02814	24.1
75.00745	1.9
77.14066	1.1
81.03310	1.3
83.01253	14.7
85.02819	38.8
85.99937	1.1
87.00748	8.8
89.02312	33.7
93.03336	1.2
95.01270	6.8
97.02811	3.5
99.00755	8.8
101.02317	70.8
102.02647	1.2
111.58058	1.0
112.01569	1.2
113.02325	41.0
114.02684	1.0
119.03381	13.0
122.38501	1.0
125.02333	6.0
127.53153	0.9
129.01848	2.1
131.03398	10.1
143.03391	7.7
149.04379	2.3
159.02831	4.9
161.04454	33.3
179.05521	21.6
181.76083	1.0
190.39423	1.0
191.05493	1.3
203.05437	1.1
205.03391	1.4
219.95561	1.0
221.06607	30.9
263.07620	3.9
310.71362	1.2
409.52325	1.1
416.75201	1.2
447.27451	3.5
481.97635	1.1
487.33609	1.0
489.28290	1.3
609.32819	30.5
610.32599	5.2
651.33716	15.1
652.33826	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	651.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93230	0.2
54.01143	0.3
55.01745	1.4
56.39494	0.3
57.03321	1.2
58.00466	2.5
59.01251	33.4
61.98714	0.3
66.72465	0.3
68.99674	0.6
69.03326	2.0
70.54808	0.3
71.01252	32.7
72.99179	2.8
73.02428	0.5
73.02815	5.4
75.00735	0.8
81.03338	1.4
83.01260	4.7
83.04890	0.4
85.02824	7.3
87.00749	7.8
89.02315	28.1
91.03870	0.8
93.03323	0.8
95.01266	2.4
97.02828	6.5
99.00751	2.1
99.04385	0.3
101.02320	27.0
102.02670	0.5
109.02817	0.5
111.00751	0.6
111.04378	0.8
113.02328	13.6
114.02629	0.5
115.03911	0.6
119.03387	8.7
121.02827	0.7
123.00742	0.4
123.04440	0.4
124.01506	0.4
125.02335	11.5
127.03912	0.6
127.54544	0.3
131.03410	1.6
133.04980	1.0
137.02303	0.3
139.03902	1.0
143.03403	4.6
149.02391	0.4
149.04434	1.3
157.04976	0.4
161.03188	0.5
161.04459	7.5
167.03433	0.9
169.04951	0.5
171.02927	0.4
171.06343	0.3
179.05525	5.8
181.04985	0.3
185.04480	0.7
199.06113	0.4
203.05574	0.7
217.07045	1.1
221.06546	2.0
235.08197	13.0
245.06635	0.8
249.23151	0.3
253.09314	4.4
253.21698	100.0
254.22034	7.3
263.07770	1.5
267.23239	0.5
277.09155	0.8
277.21771	0.4
287.07782	3.0
305.08762	2.9
306.08969	0.4
323.09915	1.8
361.11212	0.4
379.12448	0.9
397.13486	72.3
398.13757	5.0
415.14557	28.8
416.15219	2.0
539.39130	0.3
562.20502	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	4.6
57.03316	6.5
59.01247	100.0
61.98704	4.1
67.22447	2.4
68.84386	2.8
71.01248	59.0
71.58110	4.2
71.58511	4.0
72.99196	4.8
73.02813	16.9
73.03500	2.6
79.06358	2.4
83.01247	8.4
85.02821	29.1
87.00739	8.1
89.02318	18.2
93.03317	5.6
95.01250	6.9
96.95888	8.8
97.02747	2.7
99.00761	10.2
101.02323	36.2
102.60524	3.0
103.96301	2.6
109.02794	3.7
111.00743	6.6
111.56599	2.5
113.02344	27.4
115.52047	3.3
117.05434	3.7
118.64561	3.0
119.03397	10.6
125.02309	9.9
131.03387	3.0
135.04399	5.3
143.03334	2.7
161.04436	6.1
170.36781	2.4
173.04480	7.4
191.05504	9.1
263.03299	3.0
383.24097	3.6
401.25433	8.1
517.30200	16.7
518.30994	3.7
545.29590	85.0
546.30042	10.3
563.30646	55.4
564.31030	8.5
605.31647	11.5
649.36023	13.3
650.35406	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	649.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	4.7
57.03318	6.0
59.01252	84.3
60.01588	2.9
60.54360	1.7
61.98708	2.2
69.03310	2.1
71.01253	53.8
71.58311	3.3
72.99178	3.8
73.02819	15.7
75.00757	2.0
75.68441	1.6
81.03349	1.9
83.01255	8.0
83.98618	2.1
85.02827	23.0
86.02213	1.8
87.00751	5.4
89.02317	16.1
93.03302	2.9
93.19242	1.9
95.01266	6.0
96.95876	6.3
97.02842	2.8
99.00732	6.5
101.02324	32.6
105.01776	1.9
111.00774	6.1
113.02322	22.8
119.03380	4.5
123.04357	2.0
125.02335	6.1
135.04340	2.3
135.08284	1.8
141.01874	2.0
143.03397	6.2
149.04500	2.2
159.02933	3.1
161.04396	2.5
173.04480	6.0
175.03790	1.9
179.03397	2.5
191.05536	6.8
209.08064	2.0
383.24399	3.9
401.25604	9.6
473.23175	2.1
517.30225	8.8
545.29602	100.0
546.29608	10.5
563.21735	3.1
563.30627	55.9
564.30829	6.7
605.31793	10.1
649.34735	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	649.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19860	1.9
55.01764	3.5
57.03329	5.6
58.00462	2.7
59.01251	100.0
61.98725	2.1
69.03323	2.9
71.01252	56.8
71.01613	2.1
71.12141	2.1
71.12500	3.8
72.99191	5.0
73.02817	14.6
78.95782	4.3
79.65628	2.1
82.81461	2.0
83.01244	9.8
83.81345	1.9
85.02821	30.1
87.00751	6.6
89.02312	18.9
89.61124	2.0
93.03326	3.1
94.75344	2.1
95.01257	8.0
96.95872	10.5
97.02837	2.3
99.00764	5.8
101.02321	34.7
107.01361	2.1
107.73526	2.1
108.02055	3.0
111.00726	3.4
113.02334	22.2
119.03387	5.0
121.02824	2.1
124.01537	2.4
125.02316	6.7
130.75027	1.9
135.04390	3.6
143.03310	4.8
149.04463	3.3
149.05887	2.2
159.02933	4.3
161.04445	6.3
163.03871	2.2
165.99754	2.1
171.10236	3.5
173.04506	4.4
177.01767	1.9
185.11905	2.3
191.05536	6.2
211.04446	2.2
266.68994	2.3
312.02750	2.6
339.25378	2.9
369.94626	2.1
372.78284	1.9
373.25787	5.5
382.07120	3.0
383.24500	5.9
385.25980	3.6
401.25555	30.2
402.25800	2.6
443.22791	7.2
469.45938	2.3
517.29858	13.4
518.30316	3.1
541.35919	2.0
545.29608	99.4
546.30493	10.6
563.30688	60.7
564.31195	8.7
605.15399	3.2
605.31561	8.5
606.31836	2.4
649.35504	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	649.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61865	0.4
52.62405	0.3
59.01250	8.0
71.01254	6.3
73.02818	3.4
85.02809	1.1
87.00734	0.7
89.02309	14.9
93.03333	0.4
96.95890	2.8
98.95453	0.5
101.02323	2.5
102.02706	0.4
103.03859	0.6
107.04916	0.7
113.02330	1.3
117.03342	1.3
119.03396	1.1
123.00747	0.7
130.12433	0.3
131.03386	2.6
132.02052	1.5
133.02852	4.8
134.03627	8.0
135.04407	100.0
136.04745	3.4
137.02374	0.9
149.04451	32.1
149.05821	1.0
150.04831	0.6
160.01552	7.6
161.02345	24.2
161.04436	1.0
162.02663	0.6
165.01749	0.5
173.04457	0.6
175.03911	13.4
176.04179	0.5
177.05479	0.5
178.02663	0.9
179.03407	71.4
180.03761	2.7
182.02113	0.9
191.05519	1.5
193.04936	5.0
197.04523	2.0
205.12314	1.2
206.12595	0.6
213.84560	0.4
249.08926	0.4
249.11240	0.9
250.11761	0.4
251.12984	0.9
258.08493	0.5
297.09708	0.8
304.01923	0.4
311.07639	1.7
323.07742	3.2
337.09253	22.2
338.09531	1.1
341.08740	5.8
431.18079	0.5
469.20700	1.2
473.14331	15.1
474.14365	1.4
499.12378	13.3
500.12805	1.4
517.13495	15.3
518.13641	1.8
531.96698	0.5
649.17786	6.0
649.28125	0.4
650.17877	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	4.4
57.03315	3.5
58.00462	1.8
59.01251	100.0
69.03313	2.2
69.47058	12.3
71.01254	53.2
72.01588	1.8
72.99201	3.4
73.02817	15.6
79.30198	1.4
83.01244	7.1
85.02820	28.7
87.00751	3.4
89.02320	18.9
93.03355	1.5
95.01254	6.3
96.95900	6.2
97.02832	2.8
99.00750	6.9
101.02324	30.4
111.00765	2.6
112.01596	1.7
113.02326	28.2
116.61948	1.3
119.03391	8.0
124.01569	1.7
125.02298	3.2
135.04413	3.0
143.03426	5.3
159.02953	1.8
159.97249	1.5
161.04457	7.5
179.03406	1.7
179.05551	3.1
191.05498	1.9
201.20647	1.3
293.71692	1.4
301.74063	1.8
381.22800	3.7
390.03375	1.4
399.23813	14.1
455.43118	1.6
487.70334	1.6
515.28503	3.1
543.28101	92.1
544.28491	13.3
561.29065	64.9
562.29541	7.6
603.30280	6.5
647.35126	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	647.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09239	0.1
54.47851	0.1
56.98940	0.1
59.01255	0.4
63.04419	0.1
71.01252	0.1
71.58784	0.1
79.95606	2.5
85.02814	0.1
89.02325	0.1
89.71918	0.1
93.03311	0.1
96.95888	100.0
97.95829	0.3
98.95474	0.3
99.92480	0.2
101.02347	0.1
108.02000	0.1
111.00671	0.1
116.92773	0.1
127.67376	0.1
137.02284	0.1
141.88792	0.1
145.02696	0.1
151.00281	0.3
173.04494	0.1
178.99916	0.1
182.72708	0.1
190.02669	0.1
191.05528	0.3
195.51874	0.1
243.02940	0.2
249.11285	0.1
255.02919	0.5
263.46176	0.1
266.12650	0.1
271.02481	0.9
299.01898	0.2
300.02734	2.4
300.06149	0.1
301.03497	0.9
463.08795	0.1
498.09885	0.1
505.09839	2.6
506.10385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.2
57.03324	2.0
58.00460	2.3
58.37537	1.4
59.01250	100.0
61.98713	1.5
63.63989	1.1
68.56561	1.1
69.03328	1.3
69.56358	5.1
69.56785	4.6
71.01254	48.1
72.99184	3.7
73.02818	10.3
75.97167	1.2
78.95811	1.5
81.03355	1.5
81.06951	1.5
81.77293	1.2
83.01248	5.3
83.04863	1.5
85.02819	11.8
87.00769	3.6
89.01753	2.2
89.02312	46.5
93.03341	4.7
95.01273	4.0
96.95890	14.3
99.04358	6.6
101.02320	31.8
103.00237	6.6
104.04377	1.1
108.02053	1.4
111.04381	3.5
113.02332	21.1
113.99451	3.7
115.00220	1.5
119.03393	24.3
125.02312	1.4
131.03397	5.3
131.59232	1.1
133.02792	2.1
135.04428	6.1
137.02370	1.6
140.96114	1.3
142.75140	1.2
143.03406	3.9
149.04463	8.4
161.04411	6.2
161.13274	15.0
173.04451	6.4
174.01625	8.0
179.03383	2.2
179.05531	13.3
187.11176	5.2
191.05551	18.4
191.07156	2.1
192.05896	1.6
195.06525	1.1
205.12277	51.6
206.12611	2.4
249.11284	51.3
250.11603	3.7
251.16391	1.9
267.12524	1.4
385.18463	2.6
429.17569	49.4
430.17880	5.6
471.22357	22.6
472.22458	1.6
517.83264	1.3
543.20831	2.2
561.21637	8.9
562.22351	2.3
603.22595	19.1
604.23370	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	647.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.8
59.01251	100.0
69.03307	1.8
69.61959	9.9
71.01254	36.0
72.99177	3.5
73.02824	7.5
73.60762	1.2
75.00748	1.5
83.01244	3.3
85.02811	7.6
87.00756	2.7
89.02314	42.6
93.03311	2.7
95.01247	1.5
96.95888	10.6
98.20527	2.5
99.04403	5.1
101.02322	24.5
101.02909	1.3
103.00256	9.7
111.04427	1.6
113.02321	16.4
119.03411	18.9
119.04895	3.8
125.02354	1.3
131.03397	5.4
135.04410	2.7
137.02306	1.7
143.03389	2.4
149.04472	11.5
159.04475	1.9
161.04449	3.5
161.13254	19.2
163.03917	2.6
165.01741	1.5
173.04471	3.1
175.03966	1.5
179.03407	3.0
179.05508	11.4
179.95210	1.2
180.04248	1.7
181.68626	1.4
181.70087	1.3
187.11215	9.5
191.03578	1.9
191.05522	23.8
205.12274	38.6
206.12601	1.5
223.13425	1.6
235.08124	1.8
249.11284	38.3
250.11607	3.7
280.31799	1.3
335.14886	1.5
353.34573	1.3
363.14728	1.5
385.18741	4.1
429.17599	30.5
430.17694	4.6
431.36346	1.4
467.19159	6.2
471.18207	2.0
471.23709	1.7
561.22040	7.5
603.22711	15.8
604.23157	2.5
647.25391	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34528	0.2
51.74180	0.2
55.01751	1.1
57.03327	1.5
58.00466	0.5
59.01248	100.0
60.01592	0.8
67.01757	0.2
68.99689	0.3
69.03331	1.0
69.39005	0.5
69.39427	1.3
71.01250	27.3
72.01598	0.5
72.99162	1.3
73.02814	7.4
75.00757	0.5
78.77942	0.2
81.03328	0.6
83.01254	3.4
85.02820	13.0
85.99963	0.5
87.00755	2.5
89.02315	6.7
93.03362	0.4
95.01263	2.9
96.95894	0.5
97.02807	1.9
98.19755	0.3
99.00751	3.0
101.02319	13.8
111.00771	1.0
112.01550	0.9
113.02325	19.6
114.02713	0.4
115.03903	0.4
116.92810	0.2
119.03391	3.1
119.87435	0.2
123.00770	0.2
124.01563	3.2
125.02330	4.9
129.01851	0.6
131.03384	0.5
133.02896	0.3
135.04460	0.3
137.02379	0.3
138.03061	0.2
141.01848	0.5
142.02626	0.5
143.03380	4.5
143.07068	0.6
147.11691	0.3
149.04439	0.5
159.02858	0.9
159.04018	0.2
161.04466	4.9
162.04807	0.2
173.04471	0.3
179.03273	0.3
179.05534	1.4
182.58882	0.2
184.09532	0.2
191.05521	0.5
205.03400	0.2
221.06503	0.2
229.14349	0.2
239.07208	0.5
273.18579	0.2
274.11697	0.2
291.19669	0.6
316.48007	0.2
381.22855	3.0
399.23831	2.8
405.13565	0.5
423.24142	0.6
441.25046	0.3
451.23480	0.4
460.01517	0.2
465.24689	0.3
477.25046	0.4
479.26505	0.4
489.25073	1.3
495.25815	0.3
507.25955	1.3
513.26947	3.5
514.26996	0.3
525.27051	14.6
526.27277	1.9
543.28064	48.2
544.28381	6.8
544.36768	0.4
561.29108	15.8
562.29291	2.2
585.29163	4.1
586.29346	0.4
594.51453	0.2
603.30237	7.6
604.30524	1.1
645.32831	1.4
646.33551	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71465	0.6
55.80477	0.6
59.01247	24.0
61.98702	1.1
67.01762	1.0
69.00430	0.7
70.44180	2.6
71.01253	10.4
72.99189	1.2
73.02808	2.8
78.17831	0.7
78.95770	1.1
83.01262	1.4
83.04879	0.7
85.02799	3.5
87.00787	1.2
89.02309	6.5
93.03334	2.5
95.01273	0.9
96.95876	6.8
99.00705	1.1
101.02321	5.7
109.02821	1.3
111.04417	2.0
113.02331	4.9
117.14716	0.8
119.03373	2.1
119.04939	1.1
122.89803	0.8
123.00724	1.2
123.04433	0.9
125.02322	1.5
135.04396	2.7
136.01498	1.1
137.02336	20.8
138.02917	1.0
139.03894	0.8
145.02843	4.3
147.00787	1.7
147.04408	2.8
148.01497	1.2
149.02313	1.5
149.04488	1.4
149.06038	0.8
150.03134	0.9
151.00261	2.2
151.03900	4.7
153.05466	1.0
158.03613	0.8
161.02348	2.1
161.04500	1.7
162.03090	3.8
163.03883	6.9
164.01060	2.5
164.04686	1.6
165.01840	100.0
166.02397	4.3
167.03250	1.2
173.02362	2.0
173.04518	3.7
174.03159	1.6
175.03920	10.2
175.07442	0.9
176.04652	2.6
177.01813	1.3
177.05486	5.5
178.02626	0.8
179.03419	22.1
179.07001	1.6
180.04195	60.8
181.04874	5.8
182.05295	0.9
188.04709	2.5
189.05457	3.9
190.06259	11.0
191.03552	4.3
191.05502	3.7
191.07059	6.5
192.04213	2.1
193.05005	4.8
194.05766	12.0
195.02859	2.8
195.06551	70.6
196.06931	2.9
197.47177	0.6
202.12393	0.7
203.07066	2.4
205.04935	0.8
205.08627	9.2
206.05750	1.6
207.06580	8.7
208.07295	4.8
209.04616	0.7
209.08049	3.4
210.05254	9.9
211.06010	1.0
222.09012	0.9
225.07637	55.9
226.07961	3.6
315.08694	0.9
345.13269	1.0
375.14410	1.8
387.14618	1.4
388.15253	1.0
389.16043	43.8
390.16455	4.6
401.15958	1.4
449.15366	0.8
507.15692	1.3
513.26929	9.2
525.26910	0.8
543.27979	2.3
567.22296	43.3
568.22443	5.5
585.29980	1.0
597.23291	2.0
603.29614	0.7
615.24518	7.6
645.31470	5.0
666.21869	0.8
672.24347	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25969	1.0
59.01255	16.1
71.01269	5.7
71.57973	1.5
73.02814	1.4
84.87126	1.0
85.02827	2.2
87.00747	1.0
89.02319	1.4
92.36079	1.1
93.03348	2.6
93.19089	1.1
96.95898	7.3
101.02324	3.1
107.44722	1.1
110.52958	1.2
113.02304	1.2
117.03358	10.4
119.04906	19.5
121.02849	2.3
123.04436	1.8
133.02837	1.5
134.03630	1.4
145.02853	51.0
146.03198	2.1
163.03915	24.0
163.05186	2.1
164.04298	1.3
173.04436	2.4
176.95967	1.0
179.03452	1.3
191.03941	1.2
191.05435	6.3
198.87436	1.2
235.09685	9.7
307.78961	1.2
379.13968	16.8
380.14331	2.0
397.14996	43.7
398.15381	4.2
439.16068	100.0
440.16354	9.8
553.01294	1.2
628.07727	1.4
645.29095	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	643.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10045	0.5
57.03315	0.7
57.96344	0.5
59.01250	7.1
61.98691	0.9
67.01756	1.2
70.29574	0.5
71.01250	5.6
71.58578	0.9
73.02817	1.9
81.00877	0.6
81.03329	1.1
82.93293	0.6
85.02824	1.3
85.10731	0.5
89.02324	2.3
93.03333	1.5
95.01263	1.2
95.04894	0.5
96.95893	2.4
97.02811	0.7
101.02314	3.2
107.04928	1.1
108.57445	0.6
109.02842	3.7
111.04362	0.7
113.02321	1.6
116.53838	0.6
116.80712	0.5
116.97127	0.5
119.03329	0.7
119.20152	0.5
121.02870	1.3
123.00750	1.1
123.04391	2.5
125.02313	1.2
135.04391	1.9
136.01567	2.2
137.02335	25.7
138.02663	1.1
139.00264	0.8
139.03935	0.6
139.40941	0.5
149.02388	1.4
149.06007	0.9
150.03116	1.9
151.00255	6.5
151.03905	4.4
152.01010	1.3
152.04703	1.5
153.05519	0.7
161.02325	0.9
162.03094	0.8
163.03886	1.1
164.01050	2.5
165.01836	100.0
165.05415	2.8
166.02628	16.1
166.06165	0.6
167.03340	2.5
173.04483	1.3
175.03949	1.2
177.01842	2.2
177.05418	1.1
178.02675	1.3
179.03410	22.8
179.06911	1.0
180.04192	53.4
181.04970	20.8
182.05353	0.6
184.03659	1.3
187.03915	2.3
188.04594	0.8
190.06215	0.6
191.03787	0.8
191.05536	2.2
193.04942	1.0
194.05753	3.5
195.02963	3.0
195.06549	71.4
196.06902	3.7
205.05017	5.0
205.08533	0.6
209.08168	0.9
210.05252	10.7
211.05563	0.9
220.07355	2.7
221.08173	0.6
225.07629	49.0
226.07977	2.6
235.09802	0.8
301.07272	0.7
341.10358	0.7
359.11349	2.2
371.11160	1.1
372.12134	0.7
387.10574	2.2
387.14880	6.4
388.15146	0.7
395.28015	2.1
402.13220	1.7
403.13901	0.8
416.14822	1.3
417.15527	24.6
418.15750	3.2
439.30774	4.8
511.25504	1.3
565.21600	2.8
568.68518	0.7
577.20776	0.6
580.19696	1.1
583.34332	0.9
595.21802	34.7
596.21912	6.5
601.36255	0.6
606.86530	0.6
631.70032	0.7
643.35132	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37452	0.9
51.56856	0.8
55.17376	0.9
56.32993	1.0
57.03313	1.1
59.01244	7.4
66.15605	0.8
71.01245	7.7
71.58013	1.1
73.02814	1.4
80.67659	1.0
83.04943	0.8
85.02815	1.8
88.98654	1.3
89.02304	5.1
101.02318	6.0
109.06503	1.3
113.02316	3.0
119.03370	1.8
122.47502	1.0
131.03311	0.9
135.08018	1.2
137.09619	1.1
161.04433	1.8
183.13707	1.2
183.30676	1.2
203.14363	1.0
211.13307	19.4
213.14948	1.0
217.00267	1.0
231.17453	1.5
239.16406	2.6
241.18001	2.3
253.09230	3.3
267.19547	1.4
275.16541	1.3
309.20737	2.1
315.26932	1.6
317.28461	1.9
325.25293	5.6
333.27878	2.5
341.24796	3.4
343.26340	6.0
351.23328	2.0
359.25906	4.3
361.27380	3.7
369.24280	6.3
377.27042	1.4
387.25397	15.5
388.25928	1.4
405.21259	2.2
405.26419	29.0
406.26776	3.3
417.11856	1.0
641.35345	100.0
642.35858	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	641.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17421	0.9
59.01247	9.7
63.83937	0.8
69.03328	1.0
70.71881	2.0
70.72266	1.7
71.01254	6.4
83.04871	1.9
85.02821	1.4
87.00752	1.0
89.02290	4.7
93.03355	0.8
96.95878	0.8
97.02802	3.2
97.06451	1.0
101.02325	5.7
109.06452	1.3
111.08060	1.0
113.02303	3.1
119.82629	0.8
133.04007	0.8
135.07980	1.0
137.09566	2.2
139.11153	0.8
151.07507	2.7
161.04453	1.4
167.14317	1.0
177.46091	0.8
179.14296	0.8
183.13791	2.9
185.11546	0.8
191.05522	1.0
209.15482	1.4
211.13322	44.8
212.13634	2.6
213.14894	1.8
217.00325	0.9
231.17535	1.4
239.16402	2.6
241.18040	1.9
247.13196	1.0
253.09312	5.1
265.17886	1.4
267.19623	1.1
275.16531	2.0
277.18060	0.9
287.16241	1.8
291.19724	1.0
309.20679	3.5
313.14102	2.6
313.17636	1.2
313.25363	1.5
315.26758	2.9
325.25320	6.4
331.15317	8.6
331.18835	1.1
333.27777	1.4
341.24854	2.3
343.26440	4.5
344.26715	1.2
351.23215	1.6
359.26019	4.9
361.27573	2.1
369.24451	6.3
370.24844	0.9
387.25406	13.1
388.25919	1.6
405.26443	30.3
406.26822	2.8
409.17615	1.0
413.89471	1.0
447.22177	1.9
534.18182	0.9
641.35364	100.0
642.35614	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	641.1723
Annotation	Brartemicin
Peak:m/z	Relative Intensity
54.24839	1.3
59.01241	3.8
64.31290	1.3
67.01776	2.0
68.99682	1.3
69.40254	8.2
69.40665	2.7
71.01250	6.9
81.03319	2.4
83.01298	1.2
85.02834	1.8
89.02351	2.5
93.03384	1.6
95.01298	1.3
96.95887	2.6
98.20491	2.3
101.02331	3.8
108.02051	29.6
109.02852	10.5
111.00745	2.4
113.02347	3.2
123.00764	2.9
123.04391	20.5
124.01601	1.4
125.02362	3.4
135.04405	1.8
137.02377	2.0
149.04498	1.7
151.00311	6.8
152.01057	58.6
153.01843	24.6
166.02625	8.5
167.03412	100.0
168.03726	2.5
173.04498	2.0
181.04974	9.6
185.21626	1.3
191.05519	7.8
195.02998	2.3
209.04489	5.6
286.31366	1.3
296.05383	4.1
297.06125	20.4
311.07730	22.0
479.11935	98.1
480.12323	11.1
521.12970	6.4
641.17255	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	641.3503
Annotation	(+)-Tenuicausine
Peak:m/z	Relative Intensity
53.78006	0.7
55.98393	0.8
71.01241	1.4
71.57830	1.2
74.97004	0.8
78.95778	1.3
93.03325	0.8
95.04892	2.6
95.57244	0.7
103.91899	6.9
104.92692	3.1
106.94213	1.1
121.10138	5.3
121.96301	0.9
122.43788	0.9
123.94565	1.1
127.11351	0.9
130.94250	1.5
132.95854	0.8
139.75322	1.0
141.09108	7.1
143.10664	2.8
149.09644	1.5
150.47478	0.8
171.10149	9.1
195.01042	1.0
197.02625	1.1
199.04146	1.6
211.13396	1.2
227.03712	1.6
241.05267	1.4
243.03214	2.1
253.05353	3.0
255.03189	1.1
265.05252	3.0
275.20096	4.0
279.06870	1.8
281.04669	1.2
293.21204	1.9
297.04230	2.2
322.42752	1.0
327.69519	1.1
339.08472	1.0
345.11450	2.4
347.13010	2.5
349.14658	4.0
365.14041	1.7
369.13528	1.0
380.13113	1.0
469.23764	1.2
519.23932	7.6
623.34290	5.6
639.33911	4.0
641.35089	100.0
642.35406	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	638.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67876	0.5
59.01239	1.5
65.73445	0.5
71.13258	0.5
71.13584	0.8
72.22916	0.5
78.95779	6.3
80.50340	0.5
80.96388	1.7
81.03347	0.5
102.99403	0.5
126.47280	0.5
140.01059	2.1
152.99474	4.0
196.03714	1.3
214.04758	1.9
219.65146	0.5
279.23273	100.0
280.23615	7.7
476.27805	13.5
477.28149	2.3
556.27759	3.4
638.38092	6.3
639.38446	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.6
57.03307	3.8
58.00480	1.2
59.01247	31.2
61.98673	1.4
64.15346	1.3
65.03813	4.4
67.50105	1.2
71.01246	28.9
71.13504	1.4
71.13850	2.8
72.99165	2.6
73.02814	7.0
75.00735	1.4
81.03330	2.4
83.01245	4.1
83.04895	8.8
85.02807	9.4
85.06450	2.2
87.00753	10.4
89.02320	13.9
93.03341	2.3
95.01263	2.7
95.04920	2.1
96.95876	2.7
97.02834	2.7
97.06458	4.6
99.00718	1.8
101.02319	21.5
107.04903	1.9
109.06442	4.1
111.08067	6.8
113.02331	11.5
115.64049	1.2
119.03375	3.5
119.04929	3.1
121.02834	1.4
123.08040	3.2
125.02354	2.3
125.09608	19.1
133.04918	1.8
135.08075	1.7
137.09584	3.1
145.04948	4.6
151.11116	1.4
153.09010	1.9
161.04471	6.3
163.07474	2.0
163.11235	1.5
171.10176	91.6
172.10474	3.3
179.05559	1.6
185.11786	2.3
187.14857	2.7
189.16441	1.7
201.12715	1.4
203.14360	2.2
205.15901	5.1
209.08147	2.1
209.11760	16.6
211.13318	16.4
215.14374	12.9
217.00253	1.4
221.15367	4.9
231.13864	6.8
233.15436	40.3
234.15765	3.0
235.08168	13.2
235.13144	2.1
237.14987	1.9
247.16956	1.4
249.14948	43.7
250.15317	2.5
251.16422	2.4
253.09256	10.6
273.14981	1.4
283.19049	1.9
313.25446	2.0
323.23993	1.4
331.26282	3.1
339.23215	2.4
341.24850	6.1
359.25946	4.0
367.22833	5.1
375.25626	7.6
385.18750	2.1
385.23779	38.3
386.24063	3.0
393.26337	2.0
403.24881	58.4
404.25058	8.3
407.18903	3.5
421.25964	17.5
422.26306	2.0
485.23975	4.4
495.29593	1.7
607.46857	1.5
611.34125	4.0
621.32782	100.0
622.33136	16.8
639.33856	64.8
640.33972	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	641.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.6
59.01249	18.5
63.02271	2.5
65.00177	7.0
69.52763	9.7
71.01246	8.9
72.99187	2.5
73.02828	2.0
74.15481	1.5
83.01263	3.9
83.04900	1.7
85.02824	4.9
87.00750	2.4
89.02312	10.3
93.03330	2.8
94.41019	1.4
95.01261	5.6
95.04887	2.2
96.95924	2.3
96.99198	1.6
99.00741	2.5
99.04395	1.7
100.05426	1.5
101.02327	8.0
106.00485	2.0
107.01268	7.1
109.02811	7.0
109.99988	2.0
111.00768	6.5
113.02332	4.7
119.03374	3.6
119.04931	2.0
121.02795	3.7
123.00763	8.3
123.04413	1.9
124.01586	3.2
124.98724	3.2
125.02313	5.4
128.55528	1.4
133.02866	4.0
135.00749	2.2
135.04376	3.3
137.02338	5.2
139.00291	7.8
141.01846	1.5
143.03407	1.8
143.04904	3.8
147.04375	2.0
148.01537	2.8
149.02338	4.2
149.99518	3.2
150.99146	1.7
151.00281	22.6
152.01038	4.7
153.01840	5.0
154.99728	3.6
159.04402	6.3
161.02342	6.4
163.00293	3.9
163.03960	3.6
164.98203	2.8
165.01880	3.4
165.98941	2.3
166.99837	3.7
168.00571	2.9
169.01329	5.5
169.02754	1.6
171.04436	4.8
173.02463	1.5
173.04480	5.2
174.02916	1.6
175.03893	5.0
175.11192	4.6
177.01886	3.2
177.99034	6.2
178.99785	26.4
179.03398	3.1
179.05519	1.7
181.01408	2.8
185.02266	1.6
187.03857	8.8
189.01891	3.9
190.02733	1.6
190.89972	1.5
190.99821	2.0
191.03542	3.3
191.05562	11.3
192.00510	2.3
193.01314	4.0
194.99341	3.9
197.02368	1.8
199.03911	5.0
199.13445	1.5
201.01859	3.9
202.02661	3.6
203.03467	10.8
204.04109	2.4
204.97891	2.0
205.01308	2.5
205.05101	1.8
206.99306	5.6
207.02753	1.9
208.00021	2.7
209.00764	4.9
213.01810	1.5
214.02696	1.9
215.03343	9.6
217.01343	3.5
219.02950	3.6
220.00024	1.8
222.98796	2.0
225.11331	2.6
227.03448	4.6
229.01376	2.5
230.02155	2.1
231.02956	11.2
232.03767	6.8
233.04527	5.5
235.02377	1.8
242.02074	2.0
243.02982	19.0
243.12407	2.0
245.00905	2.3
245.04591	2.3
246.01646	2.3
247.02470	2.1
249.89668	1.4
255.02966	5.3
257.00677	1.7
258.01602	2.9
259.02441	10.5
260.03131	3.6
261.04022	2.8
270.01727	2.2
271.02444	47.1
272.02991	3.4
273.03986	2.0
286.01166	5.7
286.98724	2.0
287.01947	42.4
288.02579	7.0
289.03461	4.9
297.00339	8.9
298.01181	1.7
299.01996	22.2
299.11169	2.6
300.02676	14.5
301.03427	12.2
314.00662	3.9
315.01459	100.0
316.01993	10.2
317.02985	4.7
332.01651	13.9
333.02432	7.7
461.16608	1.9
463.08743	2.1
479.08755	1.4
479.17563	7.1
501.12695	2.2
505.11609	4.6
517.12378	1.7
529.11963	2.3
541.15381	1.9
569.15179	1.8
595.12830	3.4
595.96014	1.6
597.14233	4.0
608.13690	2.4
623.12103	12.0
624.12848	3.0
641.13568	41.2
641.26117	6.3
642.14093	5.4
642.53662	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	6.9
60.83952	0.4
61.52514	0.5
69.03313	0.9
71.01246	5.1
71.58457	0.7
72.99181	0.4
73.02814	3.2
73.18087	0.4
83.01248	0.5
85.02830	2.6
87.00756	0.8
89.02319	1.3
93.03340	1.8
95.01265	0.6
96.95901	0.7
101.02325	2.9
108.02045	32.2
109.02331	0.8
113.02319	1.8
114.38618	0.6
121.02823	0.8
123.04394	15.9
125.02321	0.7
132.02055	7.4
133.02869	3.6
134.03630	12.0
135.04436	3.1
137.02353	1.9
149.04539	0.9
149.05988	3.1
151.00278	0.8
152.01048	77.7
153.01335	2.8
156.73866	0.5
160.01561	41.8
161.02353	8.4
161.04443	0.9
166.02605	2.2
167.03400	100.0
168.03746	3.4
170.64037	0.5
171.10092	0.6
173.04494	1.6
173.98364	0.5
175.03911	49.3
176.04274	2.9
177.01768	1.1
177.05426	0.7
178.02635	1.4
179.03445	2.8
181.04979	1.5
187.03973	0.6
191.05502	1.7
191.07066	1.0
193.04982	10.7
217.05017	1.1
221.04532	1.3
232.96556	0.4
235.06042	0.5
255.84576	0.6
271.02448	0.8
299.02078	1.0
301.19836	0.6
323.07687	16.0
324.08121	1.1
327.16083	0.6
337.09256	75.8
338.09692	6.1
371.24362	1.6
389.25443	9.8
505.13495	44.7
506.13803	5.9
512.05273	0.5
592.29730	0.7
593.31763	7.0
594.32300	0.7
637.17853	0.5
637.30908	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.177
Annotation	Demethoxycentaureidin 7-O-rutinoside
Peak:m/z	Relative Intensity
55.48263	0.6
59.01246	5.8
59.43884	0.6
65.01326	0.5
69.63111	2.8
69.63522	1.5
71.01257	2.9
73.02825	1.6
78.95818	1.1
85.02842	1.6
87.00738	0.7
89.02347	1.2
93.03340	2.8
96.95911	1.7
101.02332	1.5
105.03278	0.6
111.04404	1.0
113.02380	1.0
119.19070	0.6
125.82523	0.6
133.02821	5.2
134.03621	1.9
135.04457	1.1
137.02327	1.6
139.03964	0.7
148.60141	0.7
149.84969	0.6
150.03172	0.7
161.02402	1.0
165.01799	2.8
173.04477	4.9
177.01808	4.9
178.02638	3.6
179.03392	1.0
191.03506	1.3
191.05557	2.0
198.03145	0.9
199.03816	0.8
213.05545	1.4
214.02698	0.8
226.02632	2.6
227.03398	1.9
232.94576	0.6
241.01492	0.7
241.04967	1.5
242.02144	9.8
243.02960	6.8
245.01018	0.8
254.02176	5.1
255.02975	1.7
257.04523	7.1
258.05173	1.2
269.04477	5.3
270.01672	11.6
271.02457	17.3
272.02908	0.8
283.02371	1.7
285.04034	10.9
286.04718	3.3
298.01083	3.1
299.01935	26.2
300.02277	1.8
301.07275	1.0
305.86359	0.6
313.03516	53.6
314.04248	43.3
315.04721	3.3
327.25342	1.2
328.05838	25.0
329.06625	100.0
329.23288	11.4
330.07013	8.7
330.23633	1.3
371.07678	0.7
373.25800	0.9
389.25394	12.0
461.23856	0.8
463.19711	4.0
593.31696	2.7
637.17596	61.4
638.17883	8.2
640.09955	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02122	0.5
59.00987	0.7
59.01255	8.5
60.61671	0.5
61.65299	0.5
63.02250	0.5
66.37263	0.5
71.01252	6.4
71.58517	0.7
72.99163	0.7
73.02818	3.1
83.01251	0.9
85.02829	2.3
87.00763	0.9
87.51286	0.5
89.02326	2.2
91.01761	0.6
93.03342	1.0
95.01268	0.8
96.95893	0.5
99.00738	0.6
101.02332	3.9
108.02051	31.7
113.02322	1.8
123.04413	17.7
124.04744	0.8
125.02282	0.6
131.03445	0.5
132.02069	8.4
133.02858	4.1
134.03633	13.2
135.04431	4.2
137.02380	2.5
147.04399	0.7
149.02325	0.7
149.04510	0.5
149.05978	2.8
151.00256	0.8
152.01056	80.6
153.01419	2.5
157.08691	0.7
160.01573	40.4
161.02374	10.3
166.02603	3.2
167.03412	100.0
168.03769	4.1
171.10156	0.7
173.04433	1.2
175.03920	53.5
176.04266	2.4
177.01813	0.6
178.02570	0.8
179.03406	3.9
179.05473	0.6
181.04974	2.0
185.84346	0.5
191.03450	0.6
191.05501	1.5
191.07198	0.6
193.04990	12.6
202.02638	0.8
215.12810	0.7
217.05026	1.2
221.04518	0.9
226.21046	0.6
271.02362	0.6
283.13464	0.7
299.01883	1.1
322.06931	0.6
323.07706	14.8
324.07941	0.8
337.09271	78.0
338.09674	6.9
353.23349	0.6
371.24432	1.6
389.25467	9.7
390.25879	1.1
463.20020	0.9
505.13535	49.9
506.13895	6.4
592.30450	0.6
593.31696	7.3
631.04376	0.5
637.18054	1.7
637.30957	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73566	1.7
57.03302	2.3
59.01252	100.0
69.45770	8.1
69.46200	8.4
71.01252	74.2
72.99199	2.8
73.02824	20.7
83.01257	8.2
85.02824	20.2
87.00760	5.5
89.02316	41.0
95.01245	6.1
95.36444	2.0
96.95882	14.0
99.00786	4.8
101.02316	31.7
113.02338	45.2
119.03391	14.0
125.02271	2.6
131.03352	2.7
137.02344	3.9
137.09680	2.3
143.03358	3.5
149.04402	3.3
161.04453	16.5
173.04417	5.9
175.99220	2.3
179.03398	2.1
179.05519	9.2
179.67627	2.0
191.05545	9.6
197.04619	2.7
342.18884	2.6
365.59720	2.2
369.19226	5.8
387.20258	3.5
531.24506	65.2
532.24707	9.5
549.25427	30.0
550.25995	5.8
591.26788	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	633.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19970	0.3
57.03298	0.4
58.00494	0.3
59.01251	9.9
62.08662	0.3
69.72192	1.3
71.01255	1.5
71.04893	0.6
73.02811	0.9
74.02313	0.4
83.01231	0.4
85.02818	0.9
87.04387	1.2
89.02298	0.5
93.03330	0.7
96.95879	0.4
98.19748	0.4
101.02329	1.3
113.02283	0.4
139.11200	0.7
141.12772	0.6
149.04411	0.4
152.92094	0.3
153.12721	0.7
157.12219	1.2
169.12257	2.3
171.10216	0.4
173.04556	0.3
183.13724	0.3
185.11797	1.9
191.05595	0.5
197.55927	0.3
215.12848	1.4
267.13907	0.8
287.23724	0.6
305.24908	1.9
321.24652	0.5
323.25864	3.3
331.22784	0.7
339.25455	1.2
341.26901	9.6
342.27145	0.6
349.23761	1.7
350.24146	0.6
367.24829	8.6
368.25208	0.7
385.25937	100.0
386.26288	10.4
399.27512	2.9
427.26910	2.5
469.28403	0.4
513.30499	2.3
531.31671	0.6
589.32104	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.9
57.03318	2.2
58.00482	0.9
59.01250	100.0
60.01591	1.2
61.71054	0.8
66.69820	0.7
69.03337	1.0
69.55983	3.4
69.56411	2.6
71.01249	24.3
72.99184	2.0
73.02811	16.9
75.00778	1.1
81.03328	1.1
82.15331	0.8
83.01257	6.7
83.04897	13.2
85.02814	5.4
87.00772	1.3
87.04402	1.1
89.02315	8.5
93.03353	2.4
95.01269	1.2
96.95892	2.1
97.02834	0.8
97.06513	1.7
99.00774	2.4
99.04397	0.8
101.02316	20.5
107.04930	1.8
109.06473	1.1
113.02332	8.0
119.03370	4.8
121.25543	0.7
123.04373	1.2
125.02322	1.1
125.09685	1.1
131.03433	1.8
133.02893	1.3
135.04448	1.4
143.03400	1.2
149.04459	4.3
149.06033	0.7
150.03192	3.8
151.03963	1.6
161.04456	4.3
163.03940	3.4
171.10245	1.6
173.04584	1.2
175.03932	2.1
179.05580	1.0
191.05571	3.5
192.05960	1.0
193.05032	1.5
215.12906	1.8
221.06577	1.5
269.17819	0.9
281.17758	1.0
313.47766	0.9
327.03348	0.9
327.21802	0.9
343.17703	4.3
356.88205	0.8
369.22858	2.4
385.18607	1.4
387.16528	1.0
387.23849	25.2
388.24335	2.0
391.46085	0.7
411.16580	0.9
429.17654	24.4
430.18002	2.4
438.65335	0.8
453.17773	10.6
459.22491	2.7
492.03177	0.9
495.18710	2.6
591.30408	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	633.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80586	1.1
59.01250	18.6
61.98701	1.7
71.01260	6.0
71.04903	1.0
71.58646	0.9
72.99153	0.9
73.02821	3.6
73.51984	0.8
74.02343	1.2
75.00737	1.1
76.98901	0.9
78.95784	2.0
81.10851	0.9
83.01267	1.1
85.02819	2.8
87.00771	1.3
89.02300	2.0
93.03320	1.6
96.95901	4.5
99.00780	1.0
101.02319	3.6
104.15689	0.8
113.02303	1.7
116.03417	0.8
129.72269	0.8
135.04433	0.9
149.04480	1.4
149.05986	1.6
153.12711	1.0
162.03087	1.3
163.19327	1.1
165.01822	0.9
169.12253	7.5
171.10159	4.1
173.04471	1.9
185.11771	1.2
191.05536	4.0
206.02306	1.1
209.08153	3.9
305.24924	1.6
323.25940	2.1
341.26837	8.7
342.27011	1.6
349.23904	1.1
367.24902	9.8
385.25946	100.0
386.26270	10.5
399.27396	3.2
427.26974	1.5
449.61444	1.1
457.24463	6.0
458.25092	1.1
500.71436	1.1
513.30444	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	631.297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	13.8
69.03307	1.3
71.01251	5.6
71.27103	2.3
72.93328	1.2
73.02805	3.7
76.22797	1.3
83.01241	1.7
85.02833	2.0
86.91593	1.4
89.02338	2.1
93.03336	1.8
96.95879	3.5
97.06481	1.1
101.02320	4.4
113.02299	2.9
121.02837	1.4
123.08001	1.9
125.02377	1.4
125.09631	1.6
133.02834	1.6
138.14101	1.2
149.05946	2.3
163.28920	1.1
171.10165	1.7
173.04526	8.0
185.11768	2.4
207.06490	3.9
209.08104	2.6
209.11705	1.6
223.81647	1.1
239.12833	1.7
321.24249	2.0
339.25369	6.7
347.22079	1.6
365.23306	5.1
383.24368	100.0
384.24631	10.3
397.25778	4.0
425.25378	3.3
431.31406	1.3
506.73984	1.6
559.67114	1.3
631.36920	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50275	0.3
59.01248	39.6
60.01563	0.7
61.98706	0.7
64.52918	0.4
71.01241	1.8
73.02798	0.5
81.90448	0.4
83.01246	0.5
85.02818	1.6
87.00740	0.5
89.02305	0.8
89.25497	0.3
93.03361	0.7
93.43047	0.4
95.01274	0.5
96.95904	1.1
101.02323	1.3
106.04108	1.0
107.04891	1.2
113.02309	0.9
114.94958	0.4
118.94030	0.5
119.03423	0.6
119.04952	0.4
121.02870	0.8
123.00795	0.6
123.04411	0.5
125.02299	0.7
132.77646	0.4
134.03648	0.6
136.01558	1.1
137.02335	8.8
138.03079	0.6
145.06532	0.5
147.08041	1.8
149.05984	48.4
150.06349	2.0
151.03865	0.9
161.02364	0.5
162.03223	0.5
163.00246	0.7
164.01057	0.7
164.04788	0.4
165.01837	51.9
166.02283	1.7
175.03847	0.8
177.01863	2.0
177.05429	0.9
178.02255	0.4
179.03418	7.7
180.04192	28.0
181.04808	2.0
191.05556	0.7
191.07077	2.1
192.04178	1.8
193.04602	0.6
194.05736	1.7
195.02966	1.2
195.06552	32.2
196.06888	1.8
200.94388	2.0
205.08678	1.4
207.06567	0.8
209.08127	100.0
210.05302	5.7
210.08397	5.3
211.06001	0.9
223.09694	18.6
224.10071	1.0
225.07626	22.0
226.08011	1.3
241.04962	1.2
253.05057	0.6
255.02968	2.0
269.04596	0.8
270.05368	1.0
283.02539	2.5
283.05490	0.4
297.03961	0.9
298.04849	12.1
298.08282	1.0
299.05191	1.0
313.07178	22.4
314.07526	3.0
355.11630	1.3
379.24411	1.4
387.14478	2.7
423.31064	0.5
429.15359	2.1
561.21381	0.9
579.22412	2.7
585.35956	0.5
627.25427	0.6
627.36407	1.1
643.31189	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	2.2
59.01241	7.8
68.99438	16.0
69.03317	9.9
71.01247	40.3
71.36291	1.9
71.58752	2.8
72.99175	5.2
74.95235	3.3
83.01243	4.6
85.02788	2.3
87.00745	2.2
87.92400	19.2
89.53744	2.3
90.94747	4.4
93.86617	2.3
99.00764	11.5
102.94745	8.6
103.91901	67.9
104.91998	3.2
104.92690	46.0
105.93444	5.1
106.94248	7.6
111.00734	7.7
112.98435	16.8
113.02313	31.2
113.29005	2.0
114.94765	46.7
118.94203	3.4
122.43456	2.4
123.94517	11.5
128.96323	7.7
130.94261	22.0
132.95810	3.5
140.96291	5.1
142.94267	20.9
144.95822	11.0
146.93721	13.6
148.95282	5.8
156.95802	15.1
158.93779	13.4
161.96095	3.5
168.95844	4.0
170.97435	3.6
171.06758	2.1
171.94554	29.0
172.95346	17.9
172.98979	2.5
184.95355	22.5
193.95039	2.8
198.96902	6.9
199.94087	3.4
200.94833	18.4
203.01196	2.6
204.98015	9.1
214.96364	6.0
216.97946	5.6
226.96523	2.6
232.97504	7.1
246.95474	3.0
256.97452	2.3
258.99118	5.5
275.99313	7.3
277.21729	37.4
278.22046	3.6
289.00214	7.2
290.00931	3.4
304.99777	3.3
307.01294	11.1
316.68716	2.6
320.99149	17.3
338.00189	3.5
339.00177	75.0
340.00412	3.3
344.98764	4.0
346.29382	2.4
347.00687	14.1
349.02185	35.0
351.16162	3.1
365.14288	15.9
391.15652	19.9
394.14438	4.6
395.15131	5.4
412.15579	4.7
419.14978	3.5
423.18549	3.3
471.19458	2.6
537.21057	4.9
565.21069	7.0
567.22559	100.0
568.22803	17.5
599.21637	40.9
600.21814	5.9
627.24756	30.7
628.25177	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	625.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.3
61.98701	12.5
71.57834	2.4
71.58271	3.2
78.95770	4.8
81.25518	2.4
85.27622	2.7
93.03360	2.4
95.04913	10.2
96.95890	9.0
111.14904	2.3
120.62719	2.4
121.10094	30.2
125.09618	2.8
127.11153	2.5
171.10181	56.1
200.31802	2.6
231.21167	2.8
275.20157	91.2
276.20547	7.8
277.21750	3.1
281.06903	2.5
293.21228	100.0
293.24506	5.4
294.21594	9.5
381.15811	5.8
403.18408	3.5
439.48544	3.0
459.24338	3.1
485.26196	5.6
503.26941	35.0
504.26978	4.9
505.25546	3.9
590.38617	6.4
607.36786	68.7
608.37372	14.8
625.37878	16.5
626.37494	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	627.2097
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
50.47283	0.3
56.94269	0.3
59.01297	0.8
66.10321	0.4
71.38525	0.7
73.02896	1.3
78.95861	1.0
94.20847	0.3
135.27219	0.3
146.84341	0.3
175.51350	0.4
217.00400	0.7
232.88527	0.6
303.82251	0.4
346.71552	0.3
426.38840	0.3
437.12833	1.3
438.12939	2.0
451.13852	1.6
452.14972	4.7
453.15219	1.3
461.01996	0.4
465.10999	0.4
465.16211	0.5
466.16699	0.7
467.17322	0.5
469.11575	0.4
475.14297	0.4
479.17303	1.1
480.14334	0.7
481.15085	10.3
482.15549	1.9
484.13898	0.7
491.17413	0.5
492.17667	0.4
493.15231	1.5
494.16010	1.1
495.16739	17.3
496.16995	4.5
507.16794	1.4
508.17599	2.6
509.18423	1.8
512.13690	1.0
514.14777	0.5
518.16150	0.4
521.14807	1.2
523.19757	1.0
526.14771	1.3
530.14355	0.5
533.18121	1.3
535.16095	2.5
536.17004	3.6
537.17120	0.7
539.15710	0.8
540.16919	3.5
541.16187	0.7
544.15802	0.5
551.19373	46.7
552.19733	9.2
553.17261	0.8
554.18585	1.6
555.18866	1.8
558.05164	0.4
567.18976	0.5
568.15887	0.7
572.15381	2.6
573.15723	0.8
583.21399	0.4
586.16882	2.7
587.16058	0.4
595.18207	10.0
596.18915	2.2
626.27106	1.2
627.20886	100.0
628.21210	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	627.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23340	0.4
59.01246	43.4
60.01594	0.4
61.98696	0.9
63.78513	0.3
69.45428	1.9
69.45851	2.0
71.01257	3.4
78.95770	0.6
83.01244	0.6
85.02818	2.8
87.00758	0.5
89.02287	1.9
93.03352	0.5
96.95879	1.3
99.00726	0.5
101.02321	1.3
106.04131	1.1
107.04898	1.5
108.02103	0.5
109.02839	0.4
113.02317	1.3
119.03349	0.8
119.04843	0.4
120.20136	0.4
120.21072	0.4
121.02885	0.4
123.00735	0.8
136.01515	0.5
137.02325	9.2
138.03131	0.8
145.06549	0.5
147.08087	2.5
149.05980	51.9
150.06328	1.7
151.03897	0.8
153.05452	0.5
161.02342	0.6
162.03046	0.6
163.07530	0.6
163.70558	0.4
164.00972	0.6
164.04675	0.5
165.01836	54.1
166.02228	1.8
173.04489	0.5
175.03928	1.2
177.01797	2.1
177.05464	0.6
179.03407	7.8
179.07025	0.7
180.04205	28.7
181.04749	1.8
191.05553	0.6
191.07088	2.0
192.04196	2.1
193.04863	0.6
194.05739	1.6
195.02922	1.5
195.06552	33.0
196.06909	2.1
200.94464	1.8
205.08640	1.8
207.06497	1.4
208.07130	0.6
209.08124	100.0
210.05310	5.9
210.08423	5.0
211.05800	0.4
223.09697	19.2
224.10037	1.0
225.07625	23.2
226.08017	0.9
241.05000	0.6
255.02785	0.7
283.02393	0.7
298.04803	3.9
298.08429	1.0
299.04886	0.5
313.07199	7.2
313.10614	0.9
314.07370	0.5
319.27380	0.5
355.11914	1.4
379.24667	0.8
387.14371	2.8
388.14774	0.5
423.31296	0.6
429.15427	2.5
455.17029	0.4
470.15952	0.7
561.21082	0.7
567.35480	1.1
579.22144	2.8
580.22089	0.7
627.23438	0.5
627.35950	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	625.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.6
57.03310	1.0
57.35114	0.5
58.00473	1.0
59.01247	23.9
61.98705	0.9
68.99698	0.5
69.03337	1.2
71.01250	17.5
71.12187	0.9
72.99184	1.4
73.02826	3.1
75.00738	0.6
78.23589	0.5
78.95760	0.8
83.01247	1.9
83.04876	0.9
85.02820	5.2
87.00741	4.0
87.66208	0.5
89.02309	13.6
93.03337	1.8
95.01238	1.4
96.95879	1.4
97.02828	2.1
99.00758	1.9
101.02314	12.7
103.03883	0.5
111.08024	0.7
113.02341	6.6
119.03386	3.7
121.02843	0.7
125.02338	3.4
125.22379	0.5
131.03427	1.2
133.02826	0.8
135.04411	1.3
137.02374	0.7
143.03387	1.4
147.04442	1.2
149.02382	0.4
149.04512	1.0
152.99513	0.6
161.02321	1.0
161.04477	2.9
161.05605	0.6
163.03986	0.7
165.12746	7.7
167.03340	0.5
173.04477	2.4
177.01796	0.5
178.02527	0.5
179.03438	1.0
179.05548	1.2
183.13817	65.6
184.14163	3.5
191.03735	0.8
191.05522	3.9
209.04428	0.5
209.11736	0.8
221.06511	0.9
227.12827	8.2
235.08177	1.5
253.09196	1.5
301.03555	0.6
370.17505	0.6
375.27325	0.6
376.27460	0.5
382.16422	0.5
392.68106	0.6
397.13492	6.1
398.13892	0.7
415.14572	4.2
471.26056	0.5
521.33069	1.7
564.55853	0.5
586.66455	0.6
607.25775	0.7
625.27063	100.0
626.27423	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	625.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29615	0.8
58.68537	0.7
63.44528	0.6
64.07935	0.6
65.00199	1.3
67.48071	0.6
70.35130	3.0
83.01263	0.8
107.01261	2.0
109.02841	1.8
121.02852	1.2
133.02843	1.0
144.02994	1.4
151.00281	8.1
162.03989	0.7
171.04419	0.8
173.77701	0.9
175.03922	1.2
178.99820	1.5
189.01776	0.9
199.03981	2.5
207.92953	0.8
215.03465	1.6
226.02618	1.2
227.03421	3.2
229.04980	0.7
243.02966	4.0
255.02977	2.2
271.02466	59.6
272.02820	4.5
285.04196	0.9
299.01950	100.0
300.02576	17.5
301.03510	41.4
302.03854	3.4
343.04486	1.0
441.73502	0.9
462.08005	28.1
463.08740	35.2
464.08948	3.6
505.10245	1.1
625.14038	63.1
626.14526	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	625.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01186	0.8
59.17566	0.7
63.02279	0.7
65.00217	1.3
66.88774	0.6
70.91621	1.9
81.29208	0.5
83.01257	0.7
96.95848	0.8
104.95374	0.7
106.49953	0.6
107.01285	1.8
109.02851	1.6
121.02827	1.3
133.02827	1.0
143.04921	0.6
151.00287	6.7
157.02907	0.7
163.00279	1.0
169.01424	0.8
170.60693	0.7
175.00317	1.3
175.03958	0.9
178.99792	2.2
183.09071	0.7
187.03862	0.8
197.02274	0.6
199.03941	4.5
201.01865	0.9
211.03859	0.8
215.03415	2.1
215.13972	0.7
219.14310	0.6
226.02722	1.5
227.03416	3.9
243.02998	4.3
254.02283	1.3
255.02925	1.9
258.54239	0.8
271.02472	64.8
272.02853	4.2
299.01965	100.0
300.02560	18.9
301.03513	44.6
302.03949	3.7
313.03494	0.9
343.04150	1.3
462.07996	25.5
463.08759	38.7
464.08929	3.5
464.15051	0.7
505.10248	1.0
523.94977	0.8
601.49072	0.7
625.14063	77.5
626.14484	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	625.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64925	1.1
59.01247	2.7
65.00180	1.3
69.88158	6.9
69.96726	1.0
71.01261	1.4
79.01759	12.8
93.03336	28.7
96.95874	2.1
105.03361	2.2
108.02053	17.3
110.77573	1.1
111.04388	5.0
113.68342	1.4
121.02779	2.4
122.03577	4.0
123.04426	7.4
133.02898	1.4
135.00740	1.6
135.04395	2.6
136.01544	4.5
138.03117	2.9
149.02295	2.3
150.03145	5.9
153.05438	1.8
157.06596	1.2
163.00285	3.1
164.01073	10.4
165.01746	2.4
178.02635	5.3
179.03416	27.7
191.05379	1.2
193.04967	20.8
195.54051	1.3
196.42656	1.2
197.04399	1.2
208.05229	2.7
209.06033	2.1
210.01624	6.7
211.03905	1.2
211.13234	1.1
225.05505	1.9
230.89262	1.1
236.04700	6.2
237.05472	2.1
239.03363	1.1
241.05179	1.5
248.04614	1.3
249.05461	1.7
250.06311	9.4
251.07108	4.2
253.05090	7.4
254.05742	2.6
265.04962	2.5
265.08682	1.2
269.04520	14.0
276.04153	1.7
277.05032	3.2
278.05621	1.6
279.06366	1.4
280.03738	2.2
281.04626	6.8
282.05334	37.6
283.05951	5.8
293.04504	3.8
297.04034	17.3
297.07645	70.6
298.04816	1.3
298.07874	6.2
306.05280	2.3
308.03180	4.9
311.05707	3.2
312.06366	15.2
314.04446	1.3
321.04068	2.7
321.07550	2.4
322.04718	4.8
323.05536	18.2
327.08768	46.3
328.08844	2.1
331.06033	1.2
336.06018	1.4
337.07193	2.7
345.07587	1.8
348.02695	1.5
351.08679	1.6
359.09338	2.3
371.09097	1.4
372.06375	2.0
373.07016	2.8
385.07190	1.9
387.08728	3.5
397.07196	1.7
399.08456	1.2
401.06509	4.6
414.07260	2.6
415.08139	8.4
416.08929	7.1
417.09622	1.6
429.09857	3.0
430.10623	5.6
431.11322	100.0
432.11670	8.9
445.12869	19.6
446.13525	2.6
471.10883	16.3
472.10983	2.1
486.09589	2.6
501.12164	13.9
502.11972	1.4
531.12970	18.9
625.17151	13.0
626.17334	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	623.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75811	0.6
56.79604	0.7
57.03315	1.3
59.01241	4.4
60.53322	0.7
61.98697	0.7
69.03296	0.8
69.75087	1.7
69.75507	2.8
71.01245	2.0
73.02828	1.3
97.58402	0.7
101.02313	1.1
123.08012	0.8
125.09602	1.4
135.73463	0.7
139.11145	0.7
139.69756	0.8
140.48102	0.9
157.12227	0.8
167.52667	0.8
169.12259	1.0
185.11777	2.0
215.12779	0.9
256.57910	0.8
307.22760	0.7
329.23218	2.1
346.58652	0.7
357.26373	6.0
373.26111	3.3
374.26248	1.7
375.27490	100.0
376.27850	9.6
389.29202	1.9
417.28360	1.4
475.48972	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1404
Annotation	Gossypetin 3-rutinoside
Peak:m/z	Relative Intensity
59.01244	3.8
65.00198	1.9
69.58392	6.4
71.01241	2.9
73.02823	0.9
81.03277	1.1
85.02822	1.2
87.00727	1.0
89.02287	2.2
93.03291	2.0
95.01268	1.7
99.00770	1.6
101.02289	1.6
107.01266	2.9
109.02835	3.3
109.99989	5.5
111.00765	3.3
113.02296	1.2
121.02835	1.1
123.00774	2.7
124.01501	1.2
125.02338	2.0
130.40628	0.8
133.02933	1.1
136.73100	0.8
136.98709	1.2
137.99458	3.5
139.00282	8.3
140.88667	0.8
144.59465	0.9
149.02338	1.4
151.00267	8.7
152.01010	3.4
159.04407	0.9
161.02370	1.7
163.00264	3.5
164.00992	1.6
165.98982	6.7
166.99750	4.4
169.01381	1.5
171.04428	1.1
178.99779	9.1
183.04442	1.2
187.03928	1.8
188.04367	1.3
189.01831	1.2
191.05504	3.1
193.98473	1.2
194.99370	1.5
198.03168	1.1
199.03935	4.6
201.01939	2.0
203.03537	2.1
206.99348	1.4
208.00105	1.6
209.11739	4.4
214.02608	1.8
215.03418	3.1
216.04218	1.7
218.02147	1.0
226.02698	1.5
227.03452	5.1
227.12793	1.3
231.02881	2.0
232.03618	1.0
242.02129	4.3
243.02896	8.0
244.03368	1.7
245.04504	1.1
255.02953	5.6
259.02420	3.2
260.03085	1.4
270.01718	7.0
271.02460	34.6
272.03067	6.5
273.03934	2.5
287.01990	14.6
288.02707	5.9
289.03506	1.3
298.01108	1.7
299.01938	41.3
300.02570	5.4
300.72824	0.9
301.03400	2.0
307.07919	1.0
315.01520	3.2
316.02197	56.2
317.02936	25.8
318.03314	1.7
370.65591	0.9
387.52759	0.9
397.13321	2.1
463.08575	2.0
463.18112	2.2
489.12424	1.4
607.12799	4.4
625.14050	100.0
626.14520	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	623.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36808	0.6
55.01750	1.6
57.03326	1.7
58.00461	1.4
59.01249	100.0
60.01585	1.2
61.86117	0.8
67.72612	0.7
69.03311	2.0
69.80080	3.8
70.43771	0.7
71.01254	50.9
72.99181	3.6
73.02817	56.5
75.00751	1.2
81.03341	1.0
83.01254	17.2
85.02826	8.5
86.05312	0.7
87.00754	3.8
89.02316	14.4
89.02828	1.1
89.46912	0.7
93.03343	0.9
95.01275	3.2
97.02869	1.5
99.00766	1.5
101.02320	56.7
102.02686	1.0
108.02030	0.9
108.82935	0.7
109.02814	1.1
113.02325	22.1
114.02660	0.7
119.03384	7.9
119.04816	0.9
121.02818	1.0
125.02359	2.4
131.03406	4.6
131.04933	1.0
135.04440	0.8
137.02332	3.4
138.03151	2.1
139.03917	0.8
143.03362	5.0
147.04462	0.7
147.67029	0.6
149.02457	0.9
149.04456	5.9
151.03900	4.2
152.04651	1.2
153.05473	2.6
155.03447	1.8
159.04456	1.1
161.02411	1.7
161.04454	13.4
163.03870	1.0
164.31058	0.8
173.04466	1.4
174.03145	0.8
175.03902	8.3
176.04671	1.0
177.05527	2.9
179.03462	1.6
179.05559	3.0
187.03937	7.2
188.04675	1.6
189.05568	2.5
190.06245	4.7
191.03810	0.8
191.05544	3.4
191.07068	2.0
192.04233	1.0
201.05577	1.1
202.06342	3.4
203.03357	0.7
203.07173	3.3
204.04218	1.4
204.07758	0.8
205.05043	8.5
205.08687	2.2
208.07405	0.9
217.08578	1.0
218.05894	1.6
219.06549	3.4
219.10205	1.2
220.07365	8.2
221.06511	1.0
225.11327	1.0
233.08255	1.1
235.09721	10.4
294.05380	1.3
311.05743	1.1
313.10910	2.0
325.07269	0.9
326.07935	0.7
341.10254	10.5
342.10770	1.1
356.12637	4.1
361.16306	1.1
370.14166	0.8
371.11203	1.6
371.15112	4.5
386.13773	2.5
389.16153	1.6
401.16028	78.4
402.16376	10.3
517.40363	0.8
563.21356	11.1
563.29706	0.8
564.21149	1.0
581.22705	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	1.6
57.03322	1.8
58.00473	0.6
59.01251	40.9
60.01581	0.6
61.98695	2.4
68.99678	0.8
69.03329	1.4
69.30038	5.5
71.01250	22.9
71.04871	0.6
72.99171	1.3
73.02814	11.0
75.00739	0.6
83.01270	4.3
85.02819	7.6
85.06453	3.4
87.00757	3.3
89.01814	0.5
89.02312	13.5
93.03355	0.8
95.01261	2.0
96.95918	2.7
97.06439	0.9
99.00741	4.3
101.02320	15.8
111.00722	0.5
111.04404	0.6
113.02329	7.7
119.03368	3.1
119.04903	0.5
121.02877	0.9
124.01553	0.6
125.02312	1.6
131.03368	1.3
135.04420	0.7
143.04924	11.3
144.05276	1.1
147.04466	1.0
149.04472	5.6
155.14322	8.4
159.02907	0.6
161.04456	2.0
161.05974	1.8
166.02647	1.6
166.49013	0.5
173.04430	1.3
179.03427	0.9
179.05562	0.7
181.05006	0.9
181.12213	1.1
181.15912	3.6
187.03876	5.4
191.05566	1.8
193.68555	0.5
199.13319	18.7
200.13805	1.3
201.51031	0.6
225.14912	4.5
297.03482	0.6
318.77170	0.5
327.08600	0.7
373.25977	0.6
375.27417	1.9
387.20062	6.5
388.20520	0.7
405.21307	15.6
406.21600	1.7
447.22327	100.0
448.22665	11.0
449.27527	0.8
479.25894	0.6
491.28378	2.2
521.30280	1.2
537.25269	1.8
579.26385	22.6
580.26843	3.1
623.23126	1.0
623.32300	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	8.2
61.01690	0.4
63.02278	0.3
65.00185	0.8
69.53450	1.1
69.53876	1.5
71.01257	3.8
72.99157	0.4
73.02807	1.2
82.41369	0.3
83.01257	0.9
85.02820	1.0
87.00722	0.4
89.02321	2.9
93.03335	0.3
95.01279	0.3
96.95853	0.4
98.20528	0.7
99.04401	0.5
101.02325	2.1
101.03769	0.4
102.02655	0.3
107.01266	1.4
108.02042	0.5
109.02849	0.4
113.02309	1.5
119.03397	0.7
125.02350	0.8
135.04350	0.4
145.02834	0.9
147.02908	0.3
147.04277	0.5
149.04460	0.6
151.00243	5.2
151.01369	0.5
153.01817	0.9
155.04880	0.7
157.02844	0.6
159.04462	0.5
161.02386	0.5
163.00284	0.6
163.03914	0.5
165.17537	0.3
169.01396	0.6
171.04396	0.7
173.02299	0.4
173.04530	0.3
175.03877	1.2
176.04662	0.5
178.99741	0.8
179.03447	0.4
179.05476	0.6
180.04091	0.4
183.04378	1.6
185.02316	0.4
187.03880	1.2
188.04506	0.3
189.01794	0.4
189.05391	0.4
190.06293	1.2
191.05521	1.2
191.07060	0.7
193.04901	0.4
194.05754	0.5
199.03918	5.3
201.01863	0.9
203.03462	1.0
204.04155	0.7
205.05011	0.4
205.08620	0.8
208.07172	0.3
209.11607	0.3
211.03848	0.8
215.03453	2.8
225.11157	0.5
227.03439	6.0
228.04095	0.6
229.01225	0.5
231.03038	0.4
242.02142	3.2
243.02942	26.4
243.12343	3.2
244.03494	2.0
254.02274	0.7
255.02959	13.3
256.03409	1.3
257.04510	4.4
259.06082	0.4
270.01633	4.7
271.02454	41.1
272.02951	4.8
285.04019	9.0
286.04721	2.8
287.05502	1.1
299.01944	65.0
300.02679	25.0
300.05585	0.3
301.03177	1.4
313.03436	1.3
314.04288	59.8
315.05038	45.2
316.05411	3.9
357.05997	1.1
389.16092	4.7
390.16373	0.5
443.22900	5.2
444.22839	0.5
447.18372	0.4
520.27350	0.5
623.16125	100.0
624.16492	14.2
643.76044	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48007	1.2
55.01765	1.9
57.03312	1.5
58.00464	2.0
59.01249	100.0
60.01598	1.1
60.24852	1.0
68.85060	1.2
69.03328	1.9
71.01251	46.1
72.99186	3.2
73.02813	27.7
83.01250	7.8
85.02826	14.6
87.00732	2.8
89.02315	33.0
95.01275	4.6
96.95919	1.8
97.02867	1.7
98.19768	3.3
101.02315	33.6
113.02325	33.1
119.03391	16.1
125.02352	2.3
128.11772	1.2
131.03409	3.5
143.03400	5.7
145.24008	1.2
149.04465	2.2
161.04440	11.0
173.04449	1.1
175.04070	1.1
179.05536	9.7
191.05540	2.8
211.13486	1.5
223.06184	1.2
355.21115	1.6
399.14294	1.6
517.26495	41.9
518.26721	5.6
535.27582	25.7
536.28009	3.5
577.28589	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05847	1.2
59.01247	100.0
69.29557	2.8
69.29892	14.6
71.01253	44.5
72.01611	1.8
72.99191	2.5
73.02815	15.0
82.67132	1.5
83.01277	5.1
85.02823	9.5
87.00753	3.0
89.02313	42.9
95.01273	3.5
98.19815	2.2
101.02316	24.5
111.87582	1.4
113.02324	26.8
119.03391	18.5
131.03400	2.2
143.03394	5.1
146.45772	1.2
149.04488	2.2
161.04483	8.2
179.05487	8.5
230.77982	1.4
262.77057	1.3
327.04254	1.4
415.91333	1.7
517.26489	32.0
518.26971	5.2
535.27527	22.9
536.28082	2.7
575.59448	1.6
577.28687	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	621.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	2.5
57.40872	0.6
58.00455	1.0
59.01251	15.3
61.98704	0.8
71.01259	5.9
71.04916	0.7
73.02829	4.9
78.07529	0.7
78.95760	0.8
83.01245	1.8
85.02809	2.5
87.00725	1.1
89.02302	3.1
96.95863	0.9
97.06477	1.1
101.02322	4.9
113.02319	2.5
123.08045	1.9
125.02339	1.3
125.09596	2.1
127.11195	1.2
135.04362	0.8
141.09122	0.9
145.63948	0.7
155.10719	1.5
161.02286	1.0
161.04454	0.8
161.05780	0.7
169.12241	1.3
171.10228	3.8
185.11794	4.3
191.05566	1.0
215.12877	1.0
223.13310	4.3
224.13681	0.7
231.31599	0.7
325.23633	1.4
337.23727	1.0
343.24771	1.7
355.24850	6.0
371.24411	1.7
373.25922	100.0
374.26337	9.5
387.27585	1.6
397.13513	2.6
415.14905	1.0
415.26978	1.2
431.51981	0.7
477.07800	0.7
535.31421	1.3
577.32202	14.1
578.32458	2.1
621.35321	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	621.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.7
59.01247	12.1
69.42760	2.4
69.43165	4.8
71.01254	5.4
73.02805	2.8
75.04194	1.0
83.01242	1.4
85.02859	1.1
89.02315	1.3
98.19813	2.1
100.49509	0.9
101.02327	4.3
113.02336	1.8
125.09654	1.6
169.12202	1.2
171.10164	1.9
185.11763	3.3
201.11282	1.0
215.12846	5.1
313.23624	1.4
337.23721	1.6
343.24863	6.8
355.24789	9.8
355.27908	0.9
356.25381	1.4
371.24280	1.7
373.25916	100.0
374.26190	10.9
394.79739	1.2
415.26947	2.0
419.78854	1.3
517.29834	2.2
535.31348	7.1
536.31390	1.0
577.32251	30.8
578.32568	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	621.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
62.80675	2.3
71.75399	2.1
78.95786	3.4
98.19790	8.3
126.99487	2.7
189.80629	2.8
260.94958	2.1
384.70392	2.3
431.19052	3.2
432.19147	2.2
442.17868	3.4
443.18738	7.4
444.19308	7.9
445.20660	15.7
446.21002	8.6
457.20148	8.4
458.20926	8.9
459.22577	16.9
460.22809	4.3
461.23352	8.1
471.18195	7.8
473.23175	8.1
474.20895	24.4
475.21060	6.7
485.19867	15.5
486.20587	40.4
487.21158	3.9
488.18112	12.7
489.18756	8.6
489.22974	18.5
490.23874	3.6
501.22952	100.0
502.23328	16.0
503.20328	3.5
512.18671	3.3
516.17957	14.2
517.17920	3.7
518.23120	15.2
527.20782	6.9
530.19733	3.2
533.26129	30.1
534.25739	5.3
544.20935	6.1
545.21881	66.8
546.22296	11.1
548.20447	15.5
549.20490	2.9
559.23260	9.6
560.23334	3.0
562.22076	13.4
577.24683	23.6
578.24615	5.9
621.22992	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	621.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.8
59.01249	13.8
69.59960	0.4
71.01247	7.7
72.99181	0.9
73.02817	2.4
83.01268	0.7
83.04877	0.6
84.02024	0.7
85.02821	3.3
87.00759	1.2
87.69618	0.5
89.02322	3.6
93.03340	1.0
93.37882	0.5
94.00406	0.4
95.01275	0.7
96.95897	1.4
97.02769	0.4
98.20532	1.3
99.00759	0.8
101.02325	4.4
109.02837	2.9
111.00745	0.6
113.02334	3.9
117.81721	0.5
119.03368	1.5
123.00783	2.6
123.04435	0.8
124.01553	0.6
125.02338	2.8
130.55728	0.5
131.03430	0.5
134.03679	0.5
135.04422	1.1
137.02341	9.9
138.02974	0.6
139.00314	0.9
139.03865	0.7
145.02902	0.6
149.02330	2.6
149.04471	2.0
151.00270	21.7
151.03877	1.9
152.01030	2.6
152.04715	2.4
159.04436	0.9
161.02354	0.9
161.04420	1.4
163.03876	1.3
164.04671	0.9
165.01817	1.2
165.04033	0.6
165.05415	0.6
166.02621	62.9
167.03275	3.8
169.36473	0.5
173.04475	2.0
175.00237	0.5
175.03943	1.7
176.01141	0.6
177.01825	3.3
178.02618	0.7
179.03441	0.5
179.05571	0.9
181.04980	80.1
182.05307	3.9
183.67197	0.5
184.03659	1.2
190.02705	1.2
190.06195	1.4
191.03424	1.7
191.05524	1.7
192.04230	1.2
193.04958	1.1
195.02960	0.6
205.05014	1.4
205.08633	1.4
206.05763	0.6
207.06590	0.6
209.04344	0.6
211.13390	0.6
223.05968	0.6
301.07022	0.5
359.11310	1.7
371.15369	0.9
373.25491	0.7
387.10849	16.8
388.11163	2.0
402.13171	6.9
417.15521	100.0
418.15891	11.6
489.26996	2.0
517.30438	1.1
545.17383	0.8
561.29095	1.1
579.29303	1.2
621.31519	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97078	3.4
55.01814	3.2
57.03303	3.7
58.77462	3.3
58.92803	3.2
59.01249	100.0
71.01244	16.4
71.27207	6.1
72.93182	3.0
73.02828	5.6
73.15477	3.5
78.95770	9.5
83.01259	4.5
84.60852	3.2
85.02827	9.6
87.56578	3.2
89.02320	5.6
93.03323	3.5
96.95886	13.0
99.00768	3.6
101.02327	11.3
108.93561	4.3
113.02364	7.6
149.04417	3.9
161.04491	3.7
173.04324	4.9
177.01813	3.3
177.05501	3.6
191.05597	6.3
207.02893	7.6
274.94385	3.3
311.22281	12.3
371.24130	19.9
371.28488	7.0
515.32172	80.6
516.32910	7.5
533.33392	20.3
541.77380	3.9
619.31158	4.1
643.88483	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	621.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	52.6
60.01583	1.1
60.91331	1.1
62.73167	1.0
69.41036	3.2
69.41460	6.9
71.01254	25.6
72.99187	1.3
73.02817	18.5
83.01256	4.7
85.02828	4.0
86.90448	1.0
87.00751	1.6
89.02319	11.9
92.44955	1.2
93.03342	2.3
95.01315	1.1
96.95899	4.8
101.02314	16.5
104.04959	3.0
106.06487	2.6
108.04445	4.3
109.68039	1.3
113.02330	9.4
113.82253	1.1
119.03397	3.3
125.02412	1.3
132.04448	34.8
133.04805	1.5
134.06024	23.2
137.02396	1.4
143.03368	1.8
148.03987	1.9
149.04422	2.0
152.07024	2.8
158.02408	2.0
158.06023	4.3
161.04445	2.8
167.03429	2.0
173.04436	2.5
176.03481	7.7
179.03357	1.7
188.03485	2.3
190.05014	6.9
191.03481	1.8
191.05521	4.8
227.11916	1.4
251.11899	5.0
251.41643	1.1
255.11395	2.3
279.11374	16.6
295.10962	3.6
296.11365	3.5
314.12408	2.6
321.08691	1.5
323.10339	9.1
337.12033	1.5
356.13544	1.3
477.18631	5.3
501.18826	18.5
502.19650	1.5
503.16843	2.0
517.18878	2.7
517.26422	4.2
545.17761	100.0
546.18066	14.7
559.19141	9.7
560.19916	1.6
577.20313	24.3
578.20374	4.0
592.35779	1.4
623.38647	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	619.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	7.3
71.58353	3.1
72.94633	2.1
80.47614	1.7
80.91563	4.0
85.02821	2.7
92.14068	2.0
96.95892	2.4
99.92467	2.1
105.03343	8.0
109.74245	2.2
130.69209	1.8
132.02007	4.2
133.02840	30.1
134.03647	11.8
135.04398	3.1
137.02379	2.2
139.06960	2.1
160.01569	25.3
161.02361	15.0
175.03918	69.9
176.04268	2.2
178.02553	2.8
179.03387	2.0
191.05530	4.1
193.04926	4.5
205.94284	1.9
208.73474	1.8
221.76343	1.8
266.18362	1.8
277.21591	2.2
283.13422	2.2
287.22198	5.4
307.17627	6.8
309.19156	14.7
310.19461	3.0
319.15378	2.6
363.49945	1.9
375.21481	2.6
377.27090	3.1
394.49127	2.2
404.29959	1.9
431.24384	7.2
445.25842	13.2
463.26913	16.0
470.22910	10.9
485.24918	57.4
486.25156	8.2
497.13571	2.2
537.30670	100.0
538.30963	19.4
619.30603	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	619.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	3.6
55.38953	2.4
59.01249	100.0
61.23431	2.0
65.70438	2.4
69.68216	8.2
69.68624	4.9
71.01254	43.9
73.02825	10.6
73.30966	2.1
83.01244	6.2
85.02814	12.1
87.00757	3.9
89.02314	34.1
93.03319	3.4
96.95872	2.4
101.02318	24.1
113.02326	25.0
119.03373	15.8
141.87357	2.0
143.03403	5.4
149.04405	3.2
161.04471	10.5
173.52733	2.3
179.05569	11.1
191.05563	4.6
295.54453	2.4
498.17575	2.8
515.24847	11.9
533.26093	4.5
575.27509	3.6
577.28406	3.0
598.79248	3.0
611.88336	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	619.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.0
58.00455	3.4
59.01250	100.0
60.01592	1.6
71.01251	54.3
72.01620	1.1
72.99179	2.5
73.02818	24.7
75.00747	1.6
83.01263	7.2
85.02818	8.5
85.78105	1.2
87.00753	3.0
89.02314	66.0
95.01262	3.5
97.02843	1.0
98.19756	2.5
101.02321	46.0
113.02328	28.5
116.93460	1.0
119.01553	1.0
119.03389	23.9
120.03770	1.4
125.02332	1.9
131.03387	6.9
143.03418	8.1
149.04529	5.6
155.03641	1.0
161.04480	14.0
179.05521	13.2
191.05492	1.3
221.06586	1.7
314.03848	1.1
329.23520	1.1
354.70630	1.2
532.88446	1.0
589.05554	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.6
56.88961	0.2
57.03316	0.8
58.00466	1.1
59.01249	100.0
60.01587	1.1
64.43649	0.2
69.03324	0.5
69.76016	1.3
71.01250	27.3
72.01587	0.6
72.99184	1.3
73.02816	11.0
75.00758	0.4
78.95786	0.4
81.03313	0.5
83.01254	4.3
85.02413	0.2
85.02819	6.8
87.00740	1.6
89.02315	15.6
90.02638	0.4
93.03329	0.4
93.25998	0.2
95.01264	2.2
96.04382	0.2
96.95869	0.8
97.02834	1.1
98.20543	0.2
99.00771	1.0
99.04393	0.5
101.02320	17.0
102.02666	0.6
109.02831	0.2
111.04356	0.2
113.02326	17.6
114.02655	0.3
116.92690	0.2
119.02573	0.3
119.03385	6.2
119.04776	0.2
124.01543	0.3
125.02340	2.3
131.03409	2.0
135.04367	0.7
137.02303	0.3
143.03394	3.2
149.04453	2.2
155.03323	0.6
159.02895	0.3
161.02321	0.5
161.04454	6.0
162.04729	0.3
173.04398	0.7
179.03348	0.5
179.05510	2.8
190.78175	0.2
191.05489	1.2
203.05481	0.5
221.06563	0.3
247.11740	0.2
299.01926	0.3
300.02502	0.3
355.20898	0.9
415.22968	0.4
487.19537	0.6
499.25394	5.1
500.25159	0.6
517.26520	14.5
518.26892	2.1
535.27673	4.0
536.27380	0.5
559.27588	5.9
560.27045	0.9
577.28625	5.7
578.28076	0.8
591.32623	0.2
619.22729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2559
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
59.94718	1.7
61.68981	1.6
69.73846	11.6
78.95762	6.1
108.83221	1.7
119.73465	1.8
123.16307	1.6
133.65761	1.7
136.04399	1.6
152.99449	3.2
181.73738	1.9
279.23569	1.9
401.13757	3.5
415.15665	3.7
416.16492	16.8
417.16824	2.9
430.18338	2.1
431.18555	4.0
459.18234	100.0
460.18668	17.8
473.19968	16.0
474.20651	9.1
485.16162	1.9
501.19473	2.2
503.17224	2.1
517.18713	2.7
518.19562	41.4
519.19940	6.5
532.21149	8.1
533.21918	75.8
534.22290	11.2
587.23218	4.3
619.25592	71.8
619.35931	3.5
620.25861	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	618.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.9
56.34581	1.0
56.87222	0.9
57.03324	2.8
58.00463	5.0
58.02848	2.3
59.01249	98.7
60.01586	1.7
66.03348	1.6
69.03326	2.3
71.01253	52.9
71.04898	1.3
72.99179	17.0
73.02813	8.4
74.02349	1.9
79.05389	2.1
81.03356	1.0
83.01263	3.1
83.04888	2.0
85.02818	14.9
87.00757	4.2
89.02313	50.8
93.03329	3.1
95.01259	4.4
95.04927	1.1
96.95906	4.5
97.06460	1.9
98.02342	1.2
98.20637	2.5
99.00743	1.9
99.04395	18.4
101.02318	25.7
102.02688	1.2
102.20133	1.2
104.87392	1.1
106.06490	2.2
109.06476	1.4
111.04380	2.1
113.01610	2.0
113.02331	24.9
116.03455	2.0
116.92764	8.1
119.03389	20.5
120.08046	2.5
122.06012	2.0
123.08073	1.5
125.02354	2.5
131.03398	4.3
132.08102	1.4
135.04463	1.2
138.05495	3.5
141.05461	1.2
143.03378	2.8
149.04459	31.3
161.02318	1.3
161.04475	6.3
166.91412	1.1
173.04472	3.0
174.12874	1.5
175.03854	1.5
177.01712	1.1
178.68655	1.0
179.03369	1.6
179.05521	11.1
179.69513	1.3
189.05389	1.0
190.12117	1.1
191.03520	1.5
191.05537	5.3
200.14265	2.9
218.11832	1.6
218.15439	3.0
230.21080	1.6
244.13429	5.7
262.14447	40.4
263.14685	3.4
288.12405	2.3
306.13425	34.2
307.13834	2.5
324.14532	2.1
326.15771	1.2
347.13477	1.4
361.16388	1.5
397.22592	1.3
405.19922	1.2
442.20566	4.0
443.21210	1.2
486.19855	100.0
487.20169	13.7
499.25375	2.9
517.26556	4.4
558.26624	1.8
559.27557	10.4
576.27698	1.2
577.28540	10.2
602.64783	1.4
618.23969	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	614.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57626	0.9
71.57971	0.9
78.95772	21.4
93.00423	0.8
96.96838	1.4
100.86196	0.6
140.01048	4.2
152.99475	10.3
181.26221	0.7
196.03726	7.4
214.04863	1.3
255.23262	100.0
256.23602	7.6
274.11591	0.7
277.21719	1.6
297.38428	0.7
452.27777	37.8
453.28064	3.1
532.33801	4.9
533.34711	0.9
614.38257	14.5
615.38470	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	615.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86261	0.9
53.95341	0.9
55.01746	1.1
58.00436	1.2
59.01249	33.3
61.98722	1.1
65.44491	0.9
70.92228	2.2
71.01254	20.0
72.99161	2.5
73.02820	14.7
75.00751	1.6
75.10031	1.0
78.95791	1.7
83.01254	8.9
84.82108	1.0
85.02819	4.6
87.00749	4.3
89.02299	4.4
93.03343	2.2
96.95878	9.3
99.00758	6.9
100.01531	3.6
101.02316	14.3
103.91968	1.1
107.04929	2.7
111.00755	12.1
113.02296	4.9
113.99468	47.3
115.00262	20.1
119.03387	1.6
120.28989	1.1
121.02850	1.1
123.04416	1.7
125.02301	1.3
128.01039	5.1
131.03445	1.1
133.02872	1.4
134.03619	4.3
135.04410	1.7
137.02383	1.8
139.00258	4.4
143.03410	1.4
149.04446	3.4
149.05870	1.1
150.03123	2.4
151.00293	1.0
156.00540	52.5
157.01300	3.1
161.04500	2.5
165.01875	1.2
165.05478	1.4
167.03427	1.4
173.04434	1.9
174.01610	100.0
175.02400	6.6
175.03712	1.2
178.02611	3.1
180.04102	1.2
187.11127	4.8
191.05533	4.4
193.04970	7.0
195.06419	1.4
199.13222	1.2
231.13872	1.3
249.11362	2.3
279.23343	1.4
287.16489	4.9
329.14059	1.3
367.21249	1.5
440.69269	1.1
458.38483	1.0
509.23944	2.2
511.21796	11.7
518.04456	1.1
552.40143	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40502	2.2
62.96549	2.3
63.23921	2.5
64.67255	2.2
71.57222	3.7
78.95364	2.7
78.95759	14.9
85.02803	3.8
88.22053	2.1
93.03321	5.8
96.96835	18.3
98.94627	2.4
110.01447	2.2
135.04396	5.8
173.04454	4.4
179.03371	4.6
191.05527	100.0
211.99788	2.6
224.91344	2.9
259.02151	16.2
339.57285	2.7
353.08673	14.2
413.80453	3.0
436.54288	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	613.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.4
57.03314	1.8
57.45530	0.5
58.00475	0.5
59.01249	100.0
61.98711	0.6
69.46955	0.4
69.47256	4.0
71.01250	14.6
72.99189	0.7
73.02823	5.6
75.00730	0.5
77.72082	0.4
81.03342	0.9
83.01270	2.9
85.02827	5.5
87.00760	1.5
89.02316	4.9
93.03281	0.5
95.01290	1.5
96.95896	1.8
97.02847	0.7
98.20477	0.9
99.00770	1.7
101.02320	13.4
111.00755	0.6
113.02323	7.0
119.03389	1.8
121.74069	0.4
123.04383	1.2
123.99978	0.5
125.02332	10.3
135.04416	0.6
137.09593	0.6
141.03912	0.4
143.03413	1.2
149.02351	0.7
149.04503	1.5
159.03072	0.4
161.04497	3.5
161.13609	0.4
165.05533	0.8
173.04514	0.8
179.03510	0.5
179.05563	0.6
179.06987	0.6
191.03519	2.3
191.05551	1.8
203.05559	0.6
209.04485	3.4
278.63864	0.5
331.19580	0.5
349.20224	4.0
361.16412	0.5
361.20261	2.9
391.21237	0.6
393.19308	0.9
445.22354	1.4
491.22943	0.6
493.24399	26.6
494.24719	4.0
511.25439	14.7
512.25653	2.1
527.25104	1.0
551.24756	0.7
553.26532	20.6
554.26898	2.9
569.25989	1.9
613.29144	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08502	0.2
59.01240	0.5
59.93306	0.2
63.34013	0.2
71.15993	0.5
78.95779	2.9
79.95611	2.4
87.35036	0.2
96.95888	100.0
96.96767	4.0
97.95814	0.5
152.99530	0.2
194.72154	0.2
217.00317	0.2
231.90683	0.2
301.10495	0.2
374.99255	0.2
379.74362	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.6
57.03308	0.3
58.00464	0.8
59.01250	16.8
60.01582	0.2
69.03319	0.8
69.78632	1.1
71.01251	12.3
71.14342	0.2
72.99174	0.8
73.02811	2.6
75.00740	0.3
81.03317	0.6
83.01257	1.6
85.02818	3.1
87.00748	2.5
89.02314	10.9
91.03875	0.2
95.01274	1.1
96.95879	0.2
97.02832	1.2
99.00739	0.6
101.02320	11.1
111.04414	0.3
113.01519	0.3
113.02324	5.9
115.03895	0.4
119.03392	3.2
124.29332	0.2
125.02333	3.8
131.03386	0.8
133.04947	0.3
143.03400	1.8
149.04442	0.4
161.04456	4.4
161.05792	0.3
165.12688	0.2
170.34686	0.2
179.05519	2.7
183.13824	12.3
184.14195	0.6
185.04465	0.2
195.13832	11.4
196.14194	0.7
199.06154	0.3
207.02966	0.6
211.13353	0.6
213.14899	100.0
214.15227	6.2
217.07167	0.2
221.06609	0.6
235.08208	4.4
236.08598	0.2
253.09280	4.3
254.09468	0.2
263.07672	0.4
277.09134	0.3
287.07629	0.9
305.08755	0.8
314.92041	0.2
323.09830	0.6
329.04544	0.2
379.12607	0.3
397.13483	34.7
398.13791	2.6
415.14548	22.0
416.14847	2.0
434.09116	0.2
449.49323	0.2
611.29120	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51596	1.3
56.03429	1.3
57.03320	3.2
58.00457	3.2
59.01250	92.8
70.59901	1.7
70.92344	4.7
71.01251	51.5
72.99162	5.0
73.02825	3.6
73.23650	1.5
75.00738	6.0
77.31313	1.6
83.01263	2.4
85.02824	12.8
87.00723	3.8
89.02311	40.6
93.03329	5.7
95.01246	3.5
96.95901	4.0
97.02833	2.1
99.04390	24.3
101.02316	28.3
107.08515	1.9
111.04408	2.2
113.02325	15.7
119.03390	12.5
121.02811	3.9
136.97467	1.7
137.02298	2.0
161.04451	2.9
165.01854	2.8
165.12758	2.0
171.11732	1.6
173.04449	5.7
179.05486	3.9
189.12735	6.9
191.05545	14.1
205.01315	1.6
207.13834	45.4
208.14175	1.9
209.04498	2.2
209.11758	16.7
223.06073	2.8
225.14850	5.6
251.12856	77.4
252.13147	3.8
269.11221	2.3
269.13937	30.9
270.14328	2.1
271.02356	3.0
293.13965	1.8
300.02682	2.2
301.03210	2.1
354.58878	1.8
359.14993	1.4
361.16785	2.0
387.19879	2.3
389.69754	1.6
393.93475	1.6
421.47821	1.8
431.19217	100.0
432.19580	10.1
433.72617	1.8
449.20224	77.8
450.20422	5.1
479.25424	2.0
568.76501	1.9
611.25482	76.7
612.25793	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	611.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01584	0.5
59.01228	0.9
60.53033	0.5
78.95776	20.4
79.95611	2.9
96.95879	100.0
96.96837	32.6
98.02350	2.1
98.20633	1.1
98.90570	1.3
117.87520	0.5
118.96476	0.8
145.68927	0.5
173.04417	0.6
189.00737	1.1
198.43849	0.5
218.59116	0.5
253.09189	1.1
277.21689	8.2
291.03845	1.1
333.04959	0.9
351.06018	3.4
404.63751	0.6
488.46289	0.6
637.15051	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32264	0.4
59.01236	0.8
66.68996	0.4
69.26845	2.0
69.27264	3.3
71.01246	0.9
78.95777	32.9
79.95602	2.8
96.95892	100.0
96.96842	57.5
98.02348	3.2
98.73734	0.5
98.90585	1.0
118.96518	1.0
173.04488	0.9
177.40256	0.5
189.00761	0.8
225.22977	0.6
253.09308	0.7
277.21667	5.0
333.04993	1.0
351.06055	3.0
434.88852	0.6
462.88040	0.6
551.24976	0.6
611.27484	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35281	0.2
52.14503	0.2
55.01754	0.5
57.03318	0.5
58.00458	0.8
59.01247	14.7
59.47655	0.2
60.01582	0.2
60.14709	0.2
61.98708	0.2
64.60882	0.2
69.03311	0.7
69.24326	1.4
69.24755	0.8
71.01249	13.7
72.01590	0.2
72.99177	1.3
73.02808	2.4
75.00716	0.5
75.45957	0.2
78.95754	0.4
81.02401	0.2
81.03317	0.6
83.01254	1.7
83.04866	0.2
85.02815	3.2
87.00741	2.4
88.98645	0.2
89.02312	10.4
93.03312	0.5
95.01250	0.9
96.95875	0.7
97.02802	1.6
99.00777	0.7
99.04376	0.2
101.02313	11.9
102.02665	0.3
103.00217	0.3
109.03960	0.2
111.04406	0.3
112.01575	0.2
113.02325	6.2
115.03846	0.3
119.03389	3.0
125.02336	3.8
129.01840	0.3
131.03386	1.0
131.48061	0.2
133.04930	0.4
134.03658	0.2
135.04390	0.5
137.02341	0.2
139.03946	0.3
143.03412	1.4
149.04420	0.8
161.02405	0.3
161.04453	4.0
167.03374	0.3
169.04962	0.2
173.04462	0.5
179.03447	0.4
179.05522	2.4
181.04976	0.2
183.13818	13.9
184.14191	0.7
191.03780	0.3
191.05510	1.5
195.13831	12.3
196.14178	0.6
211.13336	0.4
213.14886	100.0
214.15230	6.3
217.07214	0.2
221.06540	0.6
229.75909	0.2
235.08182	3.8
243.02953	0.5
253.09233	4.3
263.07761	0.4
277.09290	0.2
287.07748	0.8
305.08737	0.6
323.09854	0.5
352.40543	0.2
353.09055	0.3
397.13464	33.0
398.13770	2.5
415.14529	21.2
416.14841	1.8
509.21790	0.8
521.21716	0.8
567.24707	0.5
580.47186	0.2
611.31958	1.3
612.29999	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.4
57.03325	5.4
58.00450	3.3
59.01252	77.7
65.60913	0.9
69.03325	15.7
69.58466	6.8
71.01256	54.4
71.04906	1.1
72.99180	16.4
73.02822	6.7
74.02335	3.2
75.00727	1.3
79.05399	8.1
80.02528	1.2
81.03327	3.7
83.01271	2.6
83.04893	8.6
85.02825	11.4
87.00744	7.7
87.04367	1.3
89.02318	73.9
90.02616	1.4
93.03321	4.1
95.01264	3.3
95.04900	14.8
96.95883	3.7
97.02817	3.3
97.06472	9.9
98.03583	1.6
99.00730	1.6
99.04396	11.1
101.02320	34.1
103.03905	1.2
107.04903	3.7
109.06459	2.3
110.03611	2.7
111.04391	5.1
113.02332	53.2
113.05941	1.4
114.02681	1.6
115.03876	4.0
116.03407	2.5
119.03391	21.9
119.04836	1.2
121.02870	1.1
121.06446	1.1
123.04423	4.4
123.08035	4.4
124.05157	2.3
125.02343	1.5
125.05968	10.5
129.01776	3.3
131.03397	8.4
137.06003	1.1
139.03912	7.7
139.07509	1.6
141.05443	2.6
143.03383	1.6
147.11778	1.1
149.04462	100.0
149.09579	2.0
150.03128	1.1
150.04768	2.7
151.03958	1.3
159.08076	0.9
161.04434	2.5
163.11189	2.6
165.12727	3.6
167.07039	5.1
169.04929	2.8
173.04433	2.9
173.09593	1.6
175.11201	38.8
175.12726	2.1
176.11531	2.1
177.01787	1.4
177.09044	1.1
179.05560	6.4
183.06587	1.3
191.05592	5.4
193.12283	11.7
205.03410	2.1
207.10138	3.5
209.11694	1.8
219.10194	13.2
221.11758	1.5
237.11269	14.4
238.11758	1.2
240.10609	1.0
245.06656	2.8
255.12233	1.7
263.09314	2.0
271.02359	1.3
281.10233	10.9
299.01944	1.2
299.11359	7.2
301.09238	1.4
301.12875	0.9
347.13501	1.7
387.16470	5.1
417.17511	1.2
461.16519	6.9
479.17679	42.4
480.18069	5.3
508.77869	1.0
567.31458	1.8
578.22015	1.4
611.22015	17.9
612.22229	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	611.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	6.7
58.00460	4.4
59.01252	100.0
59.45156	1.9
69.03323	18.1
69.26140	22.5
71.01251	64.2
71.04909	2.4
72.99178	12.5
73.02821	8.6
75.00768	2.8
79.05393	8.1
81.03326	3.0
83.01264	4.6
83.04897	8.9
85.02827	17.3
87.00748	8.8
89.02317	71.0
89.56677	1.7
93.03326	4.3
94.92327	2.4
95.01284	3.2
95.04900	17.0
96.95895	5.3
97.02841	6.2
97.06459	9.4
99.00752	2.8
99.04390	11.6
101.02314	35.7
101.02920	3.6
103.03912	2.9
105.74300	2.0
107.04880	4.3
109.06388	2.0
111.04412	6.3
113.02325	65.0
115.00305	2.5
115.03902	3.6
119.03387	22.6
123.04397	6.3
123.08067	3.6
124.05116	3.6
125.02317	3.4
125.05970	10.6
129.01819	6.7
131.03369	8.9
135.04416	5.1
139.03897	7.1
149.04459	98.5
161.02338	2.7
161.04434	4.7
165.05447	2.1
165.12755	3.7
167.07095	5.1
169.05051	3.0
173.04480	8.5
173.09683	2.9
175.03835	4.2
175.11215	41.6
176.11505	3.1
179.03419	2.7
179.05534	4.7
191.03496	3.5
191.05540	7.3
193.12247	14.4
207.10338	2.9
218.51074	2.3
219.10179	15.5
237.11240	16.6
245.06598	3.1
271.08054	3.7
281.10446	10.8
299.11389	7.4
303.08789	4.2
363.20078	2.9
386.93304	2.4
387.16403	5.0
393.13605	2.4
405.21332	2.6
443.15778	2.2
461.16611	8.5
479.17657	45.2
480.18100	6.3
487.82861	2.2
611.21930	21.7
611.31708	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	611.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81301	1.7
55.74126	1.8
59.01229	5.3
61.98676	2.3
63.30944	1.8
65.00185	19.0
65.72854	1.9
70.55336	6.3
71.01249	2.7
71.79201	1.7
79.01756	16.0
89.00194	4.9
90.59391	2.0
91.01778	4.1
93.03332	57.5
96.95872	3.1
97.02821	11.2
101.02283	2.5
103.86948	2.1
105.03305	2.2
108.02052	29.1
111.04396	4.7
117.03316	5.8
121.02816	10.4
122.03615	4.6
123.04400	14.2
124.01554	4.0
135.04448	3.6
136.01544	10.5
137.02333	4.1
138.03198	3.0
139.03838	2.3
147.30666	1.8
149.99500	5.9
150.03091	5.7
163.00206	3.8
164.01068	15.3
165.01837	45.1
178.02631	6.5
179.03412	42.5
186.93919	2.2
187.64679	1.8
193.04980	20.8
196.00122	4.7
208.05173	6.1
210.01590	5.9
221.05966	2.4
222.06905	3.9
225.05569	3.6
236.04788	12.5
237.05359	3.7
239.03448	13.6
249.05432	2.9
250.06259	19.7
251.07011	5.1
253.05025	6.5
255.03001	13.8
263.03152	1.9
263.07095	2.3
265.08597	2.7
266.02017	2.8
268.03723	36.6
269.04440	22.4
276.04291	5.0
277.04965	5.7
280.03860	2.5
281.04453	4.5
282.05313	31.9
283.02530	10.6
283.06049	92.5
284.03433	2.1
284.06305	9.3
291.06595	2.8
292.03665	4.1
293.04523	6.0
294.01810	4.1
294.05139	2.9
295.05850	2.0
297.04050	20.9
297.07645	57.4
298.04782	18.1
298.08118	5.8
305.07993	2.5
307.02231	2.1
307.05927	4.0
308.03207	7.8
309.04019	21.1
309.07281	3.1
311.05362	3.9
312.06323	15.6
313.07138	43.0
314.04355	2.7
321.03888	3.1
321.07651	3.8
322.04807	4.7
323.05484	14.0
327.08743	50.0
328.08911	4.6
329.08023	2.9
329.87424	1.9
331.05865	4.9
337.07117	4.5
345.07620	5.6
347.08932	2.7
348.03152	2.4
356.06470	2.1
358.04666	2.5
359.05255	2.6
373.07050	7.7
374.07907	2.8
385.07019	3.2
387.04657	3.8
387.09079	3.1
400.05603	3.4
401.06497	9.0
402.07553	9.6
415.08157	14.4
416.08948	13.2
417.09763	100.0
418.09937	13.2
429.09961	3.0
430.10614	5.4
431.11313	81.5
432.11691	9.2
442.21329	2.1
445.12863	25.7
446.13040	3.9
457.09464	13.0
458.09390	3.3
471.10696	15.7
472.07565	3.9
487.10321	26.1
488.10922	2.9
517.11328	37.7
518.11639	5.8
611.15399	20.6
611.37311	2.1
612.16119	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	609.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89145	0.3
59.01244	1.0
70.67992	0.7
70.68378	0.8
71.01254	10.4
72.17596	0.4
78.95768	0.4
89.76341	0.4
102.74258	0.4
113.90350	0.4
115.35525	0.4
122.46726	0.4
127.07526	1.1
130.41081	0.4
148.05112	0.5
151.07556	1.0
162.92386	0.5
164.08339	0.7
177.09096	4.5
190.09895	1.0
192.11475	8.3
193.12041	0.7
205.12248	4.8
206.12564	0.4
207.13831	1.6
209.08224	0.9
211.63081	0.5
217.08391	0.4
218.09404	2.7
220.14624	66.7
221.15402	100.0
222.15738	6.5
231.17506	6.7
235.13362	2.2
236.10487	77.1
237.10902	5.4
253.14247	0.6
258.08725	2.2
275.12735	4.2
275.16400	4.4
276.08563	1.8
293.17599	21.8
294.17859	1.5
300.02762	0.5
305.13431	0.4
315.15756	3.3
333.15427	0.5
334.07364	1.1
387.17883	2.3
492.06180	1.6
498.12521	0.4
536.31091	1.6
537.31995	1.4
552.26453	0.9
576.53882	0.4
591.32831	3.6
609.34027	59.6
610.34424	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	609.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.2
69.52248	5.4
71.01270	1.2
73.82479	0.7
93.03268	0.8
95.04900	4.3
95.05414	0.7
109.06465	1.1
112.92711	0.7
121.10114	27.3
122.10444	1.2
123.08025	1.0
125.09623	2.1
127.11207	1.4
131.95474	0.7
149.09615	0.9
171.10181	73.8
172.10533	3.0
177.16377	1.3
183.13829	2.0
185.11737	2.1
193.08412	1.0
197.11781	0.7
207.09885	3.6
209.07906	0.9
231.21123	5.4
257.19138	1.3
275.20148	94.7
276.20480	6.2
278.11298	12.3
279.11655	1.1
293.21231	100.0
294.21539	8.6
297.18335	1.9
313.17755	1.2
315.19397	53.8
316.19736	4.7
329.17337	2.1
359.18384	9.6
434.83240	0.9
487.28961	1.9
549.16919	1.3
609.41241	86.4
610.41577	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	609.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	45.4
61.98694	4.0
64.83203	0.5
69.86240	2.6
70.30435	0.5
71.01260	2.9
73.02810	0.7
75.00768	0.4
80.96374	0.8
81.03372	0.6
85.02827	1.9
89.02307	0.6
93.03349	0.8
95.01295	0.5
96.95882	1.1
97.02792	0.6
101.02325	1.4
106.04143	1.3
107.04928	1.2
108.02088	0.6
111.04360	0.5
113.02325	2.1
121.02869	0.8
123.00768	0.5
135.04395	0.8
139.03888	2.5
147.04390	0.5
147.08055	2.2
149.05983	52.6
150.06331	3.0
161.05969	0.6
173.04497	1.0
173.06006	0.5
175.03897	0.9
181.05002	0.5
186.03168	0.9
187.03769	0.6
190.02753	0.6
191.05527	4.5
199.96167	0.5
201.01834	0.7
201.05492	1.6
203.03496	2.8
209.08128	100.0
210.08434	4.9
211.13335	0.9
213.01874	1.0
214.02687	0.8
216.04202	1.6
218.05807	1.9
223.09802	2.2
223.19681	0.6
228.04222	1.9
229.01369	4.2
229.04930	1.3
231.06422	0.8
233.08160	10.0
234.08447	1.1
241.01463	1.3
242.02122	0.6
242.08408	0.5
244.03687	3.2
245.04242	0.5
255.02962	0.8
256.03741	1.7
257.00888	3.1
259.02454	1.7
259.06161	1.0
271.02518	0.8
272.03162	1.1
274.04758	1.3
287.05591	22.6
288.06033	1.9
289.07220	4.4
297.87216	0.5
300.02631	0.7
302.07956	22.5
303.08368	3.8
304.09464	1.4
315.08752	0.8
317.10263	32.2
318.10608	3.2
330.11084	1.8
331.11520	0.7
333.09732	0.5
359.27942	1.7
360.28223	2.6
361.28610	1.7
370.10187	1.0
385.12949	2.8
399.14685	2.8
459.16614	1.9
555.13025	0.6
609.24750	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87061	2.2
55.01749	3.1
59.01250	100.0
60.01567	2.7
61.98692	4.0
69.03302	4.0
71.01250	41.9
72.99168	4.2
73.02842	10.6
79.95597	4.5
83.01250	7.8
83.05354	2.2
85.02825	18.5
87.00751	7.7
89.02324	19.9
90.84380	2.2
91.03884	2.3
93.03337	5.5
95.01257	5.3
96.95891	9.2
99.00745	4.0
101.02318	25.4
101.04080	2.0
112.36141	2.0
113.02350	19.8
119.03358	5.0
124.01557	2.6
125.02314	6.2
130.31590	2.3
133.02867	3.6
135.04407	5.0
143.03435	3.6
145.06496	3.0
149.04424	2.7
153.01845	2.3
161.04420	3.5
165.05504	3.0
173.04469	10.3
176.83900	2.2
177.01851	3.0
179.03429	4.7
191.05498	24.2
221.98267	2.3
269.21243	4.2
271.02432	3.0
285.20782	2.8
287.22311	26.5
300.02771	7.2
327.16113	8.8
353.13864	2.6
359.18594	6.4
385.16547	3.5
413.25488	5.9
431.26477	54.4
432.26743	6.1
447.26108	10.1
449.27509	18.8
473.27524	15.5
491.28546	22.2
492.28973	3.1
505.33618	3.2
565.32446	2.6
569.43860	2.5
574.66412	2.5
577.22510	3.6
609.15112	5.4
609.31274	78.5
610.15808	2.5
610.32166	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	609.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.8
61.00366	0.8
69.72669	4.7
69.73051	1.6
71.01255	2.2
80.10306	1.0
83.01248	1.8
85.02827	1.0
93.03312	1.2
96.95869	1.6
98.19815	1.9
107.01250	3.1
109.02843	1.9
121.02838	2.5
133.02856	1.0
135.00815	1.1
151.00281	11.2
163.00294	1.5
165.37115	0.9
169.01384	1.7
171.04471	1.3
175.00262	2.6
175.02411	1.1
175.03889	1.8
178.99751	2.2
191.05489	3.6
199.03911	4.6
201.01926	1.0
215.03464	2.3
227.03464	3.8
229.05089	1.4
243.02873	5.9
255.02943	3.9
271.02457	72.3
272.02823	5.8
283.02448	3.8
285.04001	4.0
299.01950	100.0
300.02594	18.7
301.03506	80.1
302.03864	5.4
313.03552	1.9
343.04770	1.5
446.07962	1.3
447.09143	13.7
462.08032	26.4
463.08817	28.9
464.09052	2.3
468.63907	1.1
549.25629	1.6
609.14594	79.3
610.14905	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	609.1457
Annotation	Rutine
Peak:m/z	Relative Intensity
59.01250	0.4
63.02267	0.4
65.00188	1.2
67.30573	0.2
69.44216	1.8
71.01224	0.3
76.65896	0.3
83.01257	0.8
93.03327	0.2
95.01198	0.2
98.19804	0.6
100.16985	0.2
107.01254	3.1
108.02058	1.5
109.02838	1.0
121.02846	1.3
125.02281	0.3
135.00768	1.1
148.01550	1.6
151.00261	9.7
152.00807	0.2
159.04407	0.4
161.02359	0.3
163.00282	2.0
164.01060	0.8
165.01807	0.3
169.01387	0.5
178.99782	4.6
183.04465	0.4
187.03850	0.5
190.99834	0.3
191.03355	0.2
198.03085	0.4
199.03885	1.0
203.03430	0.4
211.03943	1.2
213.02000	0.2
215.03403	0.8
216.04286	0.4
226.02615	1.5
227.03412	3.2
228.03955	0.4
229.05009	0.5
230.02280	0.2
240.16885	0.2
243.02956	11.7
244.03343	0.9
245.04530	1.0
254.02173	2.5
255.02953	30.3
256.03329	2.0
271.02454	62.4
272.02878	5.8
273.03937	0.8
283.02411	0.7
299.02060	2.2
300.02719	85.8
301.03427	26.5
302.03925	1.2
343.04584	0.8
432.47229	0.3
609.14563	100.0
610.14899	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71344	3.0
73.28361	2.8
98.19751	7.0
389.86246	4.0
418.64807	3.6
430.21210	4.8
431.22153	15.4
447.25571	7.3
448.22522	3.7
459.18634	4.4
459.25723	7.3
460.23212	22.3
461.22787	4.2
471.22040	10.3
472.22690	22.7
474.20590	13.0
475.26007	24.6
476.25113	4.3
487.25000	90.0
488.25217	13.5
502.20044	23.6
504.25430	4.0
513.22968	10.2
519.27283	11.1
531.23956	100.0
532.24237	21.2
534.22461	5.8
548.24274	10.3
563.27112	17.2
564.26440	4.3
607.25769	13.8
608.26416	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	607.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30857	0.4
52.54264	0.3
54.98789	0.4
57.03317	1.7
59.01253	6.9
62.66756	0.4
66.33801	0.4
69.80822	1.0
69.81235	1.8
71.01245	2.6
73.02814	1.0
79.55843	0.4
83.01266	0.6
85.02802	0.8
89.02334	0.7
94.60638	0.6
96.95876	1.1
101.02312	1.3
113.02317	1.1
126.40014	0.4
149.24849	0.4
209.08102	0.5
222.57204	0.4
225.92101	0.4
311.22137	0.6
311.25806	1.1
313.23923	5.8
314.24405	0.5
341.26892	4.4
357.26431	1.3
359.28018	100.0
360.28336	9.9
373.29572	1.6
385.25897	1.6
401.29041	0.7
511.29575	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.131
Annotation	6-Hydroxyluteolin 7-[4''-(3-hydroxy-3-methylglutaryl)glucoside]
Peak:m/z	Relative Intensity
57.03320	2.8
59.01248	11.3
63.02258	1.1
65.00187	1.3
65.12108	0.8
69.71693	4.8
71.01247	6.8
72.99183	1.2
73.02814	2.4
83.01268	1.7
83.04919	1.0
85.02829	2.1
87.00749	2.2
88.98707	0.9
89.02335	3.6
93.03327	1.9
96.95873	2.6
97.02837	0.8
98.19738	0.7
99.04356	0.7
101.02316	5.2
107.01263	3.7
108.02053	1.9
109.02830	1.9
111.00710	0.9
113.02320	3.2
119.03378	1.1
121.02824	3.1
125.02328	2.5
131.03372	0.8
133.02826	1.7
134.03659	0.9
135.00751	1.2
135.04411	2.2
137.02304	1.0
145.02762	1.2
147.04384	1.0
148.01553	1.2
149.02376	5.2
149.04422	1.6
150.03139	1.1
151.00269	13.3
151.03873	0.7
152.01003	0.8
152.65440	0.7
153.01744	1.4
161.02332	1.6
161.04445	1.0
163.00252	2.2
164.04674	2.6
167.03394	1.2
169.01387	1.4
173.04478	2.8
175.03867	1.7
178.99785	6.0
179.03386	2.3
179.07004	0.8
191.05531	8.0
199.03897	1.0
205.04964	1.4
209.11740	7.7
210.41699	0.7
211.03882	1.3
223.06027	2.6
227.03391	3.4
239.03368	0.8
243.02945	9.4
245.04466	1.7
254.02144	2.0
255.02953	28.2
256.03363	3.7
265.07312	1.1
269.04428	0.9
271.02466	50.1
272.02939	4.9
273.03793	1.3
283.02533	2.2
284.03244	4.2
285.03616	0.8
299.01935	3.3
299.05579	8.2
300.02728	100.0
301.03455	47.3
302.03763	1.8
397.13449	2.0
403.13562	1.0
415.14554	2.1
431.19250	1.6
463.08807	53.8
464.09204	7.6
505.09802	32.4
505.17392	1.1
506.10175	4.2
545.13007	9.7
546.13007	1.0
607.12921	11.6
607.29401	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80112	0.3
71.50314	0.5
71.50665	0.3
75.70483	0.3
78.95791	0.3
106.06513	0.5
114.64433	0.3
162.05576	0.4
394.11563	0.5
415.15488	0.9
416.16449	0.7
424.16727	0.3
428.16418	0.5
429.17050	1.1
430.17810	1.7
431.18390	0.6
443.18799	1.1
456.15192	0.3
457.20868	1.9
458.21021	0.6
459.17792	3.2
460.18475	0.4
461.23840	0.5
469.21213	0.3
470.21597	0.8
471.18140	1.9
472.18826	1.2
473.19733	4.2
474.20023	0.9
475.21182	0.7
485.18335	2.3
485.24081	1.2
486.20767	4.8
487.21494	1.4
496.19012	1.1
499.17557	2.6
501.23758	3.4
502.20154	0.7
503.20380	0.5
511.21350	2.5
512.21368	0.6
513.19391	3.0
514.20038	9.0
515.20618	1.6
517.18555	0.5
518.19574	1.8
527.21283	0.4
528.21667	0.9
529.22418	100.0
530.22736	18.2
532.21179	1.9
533.21887	2.5
561.24878	0.8
573.21399	1.1
605.24091	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90131	0.9
62.89411	0.9
64.07613	1.1
71.58102	1.9
72.59940	1.0
78.95770	1.2
122.07243	1.1
156.78979	1.1
156.97472	0.9
170.60652	0.9
194.46178	1.1
457.20450	1.9
459.17758	2.4
471.18094	1.8
472.18915	1.4
473.19852	3.7
485.19357	1.6
486.20511	4.9
487.21375	1.5
499.17633	1.8
501.22675	3.8
511.21396	3.9
513.19531	1.8
514.20068	9.9
515.20514	1.5
518.19342	2.5
529.22424	100.0
530.22699	21.5
532.21326	1.5
533.21771	2.1
605.23944	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	605.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78598	0.7
59.01250	20.6
59.56793	0.9
59.57354	0.7
61.98692	1.3
63.28900	0.7
69.46410	1.0
71.01250	6.7
71.58456	1.5
73.02817	2.4
78.95755	0.7
83.01209	1.0
85.02829	2.9
86.44835	0.7
87.00745	0.8
89.02301	1.5
96.95272	1.1
96.95884	17.7
96.96845	1.3
101.02313	3.4
113.02319	1.9
118.94115	1.7
129.28403	0.7
135.04361	0.9
141.01608	4.6
161.04453	1.1
163.03900	2.0
178.94958	0.8
178.96307	2.6
182.35902	0.9
185.11729	1.3
191.05486	1.0
309.24075	1.0
321.24390	1.0
327.25433	4.8
328.25775	0.9
339.25360	6.4
355.24640	1.6
357.26428	100.0
358.26703	9.0
383.24402	1.2
399.27521	0.9
473.27301	0.9
485.31088	1.5
561.32452	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	606.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40760	3.2
59.01249	20.0
65.01731	3.4
66.76025	3.6
71.01249	6.2
71.38326	5.4
73.02816	13.3
83.01247	5.5
84.13949	3.3
93.03316	3.6
95.76998	3.9
96.95904	3.5
101.02335	5.4
107.01276	6.0
109.02818	13.5
121.02808	6.7
125.02302	5.6
133.02780	4.2
134.02345	6.1
135.00812	4.0
137.02335	17.9
145.26523	3.0
146.02357	3.5
147.00844	6.7
148.01576	26.3
149.02301	11.8
150.52921	3.2
151.00264	13.9
158.02322	5.9
160.00229	7.6
162.01877	21.2
163.00246	11.2
164.03387	11.4
175.00285	6.1
177.01837	76.3
178.99777	7.6
186.01932	17.7
190.01363	10.6
191.02077	14.5
191.03592	4.8
200.56076	3.7
202.01463	3.3
202.99864	18.4
203.01656	3.9
204.02951	97.6
205.03175	4.5
214.01328	5.3
227.03322	6.2
230.00928	53.6
243.02933	5.4
247.01015	5.5
253.22316	3.4
255.02791	4.8
268.02509	10.2
269.00818	11.8
271.02573	16.4
272.03177	7.8
284.02237	8.0
285.03937	4.1
286.03604	4.5
294.04080	6.0
296.05756	4.3
299.01904	14.0
300.02597	6.2
301.03351	5.2
312.01694	7.9
313.03506	12.2
314.03894	5.1
315.04135	4.8
317.02722	5.6
322.03580	11.8
339.03619	12.0
340.00854	63.8
340.04572	52.9
341.01566	7.7
342.02451	9.3
356.04074	4.6
357.04965	28.8
358.05750	18.6
371.10117	5.8
397.07626	11.0
410.07208	4.4
426.10403	96.5
427.10538	7.3
452.08325	100.0
453.08493	6.0
520.11078	5.3
521.08929	6.3
544.11194	20.4
562.12091	78.2
563.11273	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	605.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.8
57.03289	0.7
59.01251	100.0
60.01581	0.8
69.03378	0.8
71.01251	23.4
71.58436	1.1
72.99176	1.5
73.02818	17.3
83.01254	6.1
83.01656	0.7
83.04892	3.3
84.46413	0.6
85.02834	5.6
87.00757	2.6
87.04366	0.6
89.02318	21.6
90.02680	0.6
93.03334	0.9
95.01266	0.8
95.99387	0.6
96.95914	1.6
99.00763	1.0
99.04416	0.8
101.02319	20.2
111.00789	0.6
113.02333	8.3
119.03410	3.7
121.79411	0.6
125.02374	1.1
126.33256	0.5
128.03288	0.6
129.29897	0.6
131.03415	4.6
133.02855	0.8
134.61407	0.6
135.04439	1.3
143.03432	2.4
149.04460	50.4
150.04820	1.6
151.03853	0.7
152.29782	0.5
155.03345	0.8
161.02315	0.9
161.04442	5.1
173.04454	1.4
179.03580	0.6
179.05576	2.1
181.12286	1.2
191.03606	0.7
191.05571	1.9
193.04991	0.8
225.11462	1.5
343.17529	6.7
344.18201	0.6
357.13400	0.9
385.18741	0.7
429.11801	1.0
429.17621	20.9
430.18137	2.6
459.70975	0.6
501.30255	0.7
519.21033	1.0
561.22168	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	605.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.6
55.45017	0.4
57.03336	0.8
58.00462	0.7
59.01249	100.0
60.01589	0.7
61.98726	0.4
69.03338	0.4
69.71606	1.2
69.72017	1.5
71.01251	15.5
72.99182	0.9
73.02814	10.5
75.00727	0.7
78.95761	0.4
81.03349	0.9
83.01243	2.9
83.04391	0.9
83.04891	16.4
85.02824	4.1
87.00751	1.9
87.35330	0.4
89.02310	18.5
90.02646	0.7
93.03355	1.2
95.01305	0.8
96.95909	1.1
97.02873	0.6
97.06477	1.2
98.20565	0.4
99.00761	1.9
101.02314	10.1
103.03915	1.1
113.02325	3.4
119.03383	4.1
123.08068	0.5
125.02311	0.4
125.06013	1.0
131.03378	3.4
132.31831	0.4
137.02365	0.4
137.14024	0.4
143.03467	0.4
149.04457	47.6
150.04839	1.3
161.04446	2.4
173.04503	3.4
178.99719	0.4
191.05531	0.9
200.40736	0.4
238.31210	0.5
247.13446	1.0
251.12962	0.8
265.14487	0.9
282.04239	0.4
343.17529	5.8
385.18750	0.7
429.17612	11.6
429.23077	0.7
430.18185	1.4
431.19089	0.8
519.21075	0.9
561.21875	4.5
562.22003	0.8
605.24677	1.0
612.13672	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78697	0.5
54.29324	0.5
55.01756	4.2
57.03324	4.3
58.00468	1.9
59.01249	100.0
60.01587	1.2
66.64295	0.5
67.01741	0.8
68.99660	0.6
69.03325	1.0
69.51499	3.1
71.01251	59.8
71.04871	0.6
71.59475	0.5
72.01575	0.7
72.99171	2.7
73.02814	15.6
75.00739	1.3
78.95801	1.8
81.03336	0.6
83.01252	11.2
85.02822	25.9
87.00755	5.3
89.02314	18.2
91.53040	0.5
93.03312	1.0
95.01255	6.1
96.95874	3.0
97.02852	2.4
98.20517	1.1
99.00753	6.8
99.04416	0.8
101.02318	36.9
111.00774	1.5
113.02325	27.2
114.02647	0.7
115.03877	0.8
116.92776	0.8
119.03375	7.5
125.02335	4.3
127.03796	0.6
129.01868	1.2
131.03429	2.0
135.04459	0.7
137.02342	1.0
137.07013	0.7
143.03415	6.0
149.04451	1.2
149.93011	0.5
152.99515	1.1
155.03400	1.0
159.02838	4.1
161.04462	17.1
162.04820	0.6
165.05688	0.5
173.04507	1.7
173.05891	0.6
179.03429	0.4
179.03981	0.7
179.05519	6.9
191.03577	1.0
191.05621	1.5
194.88133	0.6
211.13315	0.9
221.06563	4.5
244.03465	0.5
255.23320	0.8
257.98538	0.5
263.07761	1.2
291.19730	1.1
299.02054	0.8
314.74155	0.6
333.20636	1.1
337.23883	0.6
355.24841	1.2
367.15164	0.8
381.22937	2.2
399.23843	7.6
400.24246	0.8
402.60150	0.5
441.24860	2.7
471.26089	4.0
483.29797	1.3
485.23883	1.2
499.29245	0.9
503.25729	0.7
543.28015	15.6
544.28723	2.1
559.31354	1.5
561.29102	50.6
562.29407	8.2
603.30115	14.3
604.30994	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	603.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10071	1.2
55.01756	1.4
57.03317	1.4
58.00462	1.3
59.01248	45.9
62.11100	1.1
69.03340	1.4
71.01244	20.2
72.04295	1.2
73.02818	9.2
73.78722	1.4
78.95781	2.9
83.01223	3.1
85.02814	8.7
87.00755	2.3
89.02299	6.0
93.03344	5.0
95.01204	1.4
96.95854	1.8
98.88580	1.3
99.00765	2.2
101.02309	12.9
102.39507	1.1
113.02340	8.5
119.03368	1.8
123.07982	1.5
125.02299	1.9
125.09599	3.6
135.04422	1.5
137.02354	1.9
138.74045	1.4
152.99489	4.4
155.03346	1.4
161.04485	2.0
171.10182	10.7
173.04466	21.9
174.04791	2.3
179.10825	1.2
185.11728	1.5
191.03465	1.2
191.05452	1.3
199.13292	2.3
203.05327	1.3
211.13385	2.4
255.23186	1.7
267.16089	3.5
337.23831	7.3
339.25360	27.2
340.25778	2.6
355.24884	10.6
365.28723	1.3
367.15390	2.3
399.23718	1.4
429.32913	1.5
441.21271	12.2
499.28809	4.0
517.30267	7.6
525.55408	1.4
559.31177	100.0
560.31586	14.9
561.28766	7.4
580.11664	1.4
603.33545	4.0
619.08038	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.7
55.86961	0.3
57.03323	3.4
57.34644	0.3
58.00457	2.1
59.01249	100.0
59.79900	0.4
60.01582	1.6
69.03320	1.6
71.01250	53.0
71.58695	0.7
72.01588	0.9
72.99183	2.9
73.02816	13.3
75.00761	1.0
78.95789	1.5
81.03300	0.3
83.01255	6.6
83.04913	0.5
84.02057	0.4
85.02821	22.3
85.99966	0.7
86.03116	0.5
87.00746	3.0
89.02312	21.4
93.03329	0.6
95.01258	5.1
96.95905	1.7
97.02821	2.0
99.00758	5.8
99.92420	0.4
101.02319	29.4
102.02639	0.6
107.11651	0.4
111.00749	1.8
112.01551	1.0
113.02325	29.9
114.02695	1.1
116.24508	0.3
116.92745	1.5
119.03381	8.2
124.01555	1.6
125.02339	3.9
129.01849	1.8
131.03404	2.0
135.04407	0.6
137.02361	0.5
138.84436	0.4
139.00334	0.4
143.03407	5.2
143.07065	0.9
149.04459	1.5
151.14597	0.4
152.99390	0.7
157.08479	0.4
159.02901	2.4
161.02412	0.4
161.04457	11.6
173.04521	1.0
179.03520	0.5
179.03929	0.6
179.05516	4.0
191.03506	0.5
191.05540	0.9
195.08554	0.3
273.18591	0.7
291.19717	1.1
355.24789	1.0
381.22784	3.7
394.20099	0.4
396.30328	0.4
399.23834	8.6
399.28809	0.6
400.24515	0.7
427.20261	0.5
441.18613	0.5
441.24988	0.9
469.24359	0.6
471.26126	5.7
472.26816	0.4
495.25778	0.4
499.28387	0.4
507.26224	0.7
513.27271	0.4
543.28064	55.3
544.28387	8.6
559.31287	1.1
561.29108	47.7
562.29504	7.2
603.29736	5.1
604.30524	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44524	0.3
59.01233	1.3
69.24360	4.0
87.00748	100.0
88.00272	10.1
88.01086	1.5
88.03900	0.6
127.01559	0.3
133.02815	1.2
134.03653	0.9
134.84167	0.3
135.04431	0.6
137.02417	0.4
146.91370	0.8
153.18208	0.3
178.02640	1.8
179.03389	0.5
213.12645	0.3
253.09319	0.5
270.58353	0.3
277.21710	4.5
278.21973	0.3
283.00677	0.3
322.98254	0.5
499.01889	0.4
515.09863	0.3
531.09247	0.3
601.33734	0.4
602.19513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74617	0.5
59.01227	0.8
64.74365	0.4
68.60433	0.4
69.60676	0.4
71.57996	0.5
71.58379	0.5
72.99651	0.5
78.95788	0.6
80.32162	0.4
87.00749	100.0
88.00278	14.4
88.01091	1.4
88.03878	0.6
103.91904	0.7
105.23476	0.5
120.89760	0.7
146.91409	0.9
152.99434	0.5
158.19359	0.4
162.84492	0.4
178.83765	0.5
179.73586	0.4
231.12827	0.4
253.09261	0.8
257.53363	0.4
277.21765	2.3
322.98331	1.1
602.19568	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	4.1
65.92339	1.0
70.69989	2.4
74.86507	1.0
82.02834	2.6
83.01260	5.8
93.03321	1.0
96.95900	1.6
104.56225	1.1
121.16673	1.0
123.04353	1.3
125.02330	100.0
125.32613	0.9
126.02654	3.7
129.48024	1.1
139.03879	2.9
139.08618	1.6
144.02946	2.9
147.28844	1.2
149.02351	13.7
151.00235	1.6
159.74475	1.0
166.08647	3.5
167.03407	12.9
167.11830	1.2
179.03314	2.0
183.11369	1.8
184.09814	1.1
191.03471	2.9
191.05516	2.4
191.87582	1.1
197.42967	1.1
209.04503	16.0
211.10736	11.6
211.12169	1.0
229.11877	19.9
230.12346	2.1
233.04468	6.4
251.05547	1.2
257.92316	1.2
287.07706	2.1
329.08768	2.1
371.09796	51.7
372.10153	5.0
449.45773	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	601.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09848	0.4
66.03369	1.2
68.01268	2.2
70.02460	0.5
70.02850	8.7
70.74811	1.4
71.01254	1.0
71.02356	0.6
72.00773	17.7
72.99174	4.2
73.02824	1.8
78.95776	3.4
80.04926	0.4
81.03297	0.6
82.02852	2.9
83.04874	1.0
84.04433	0.8
86.02342	3.2
94.02849	1.8
94.06503	0.5
95.04928	0.7
96.00820	1.0
96.04429	9.8
96.95881	0.5
96.96847	4.4
97.03963	1.3
98.02353	8.1
98.05990	1.4
99.00764	2.8
100.03920	3.4
101.04192	0.5
104.28582	0.5
106.06516	2.8
107.03655	1.1
107.04872	1.0
108.03938	0.4
108.04450	3.4
110.02388	0.7
110.06002	0.9
111.04382	0.6
112.03917	0.6
113.03443	1.1
115.05020	2.1
116.03436	2.4
120.04458	0.7
122.06007	2.2
124.03941	2.4
124.07590	3.6
128.03384	2.2
134.05975	1.5
135.03099	0.9
135.05571	0.8
136.03941	1.9
138.05487	4.3
139.08563	0.5
140.07037	1.0
142.01424	0.8
143.04523	4.6
144.02917	24.8
149.07082	2.0
150.05531	6.2
152.07060	0.9
153.06599	0.7
154.04982	1.5
161.05598	1.5
161.07022	0.7
162.05557	0.9
167.08151	5.9
168.06546	2.2
170.08110	0.7
179.08177	3.8
180.06583	2.3
188.09265	0.8
194.04562	0.9
197.09190	3.4
211.07004	0.7
213.08746	0.5
215.10239	0.7
224.05615	1.4
241.08249	18.6
241.10686	1.1
242.06563	1.0
259.09326	100.0
260.09616	4.7
331.22638	0.6
364.41492	0.5
419.54449	0.5
466.90524	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	0.4
59.01255	3.6
61.35539	0.3
61.98698	0.5
69.39404	2.7
69.39806	0.5
70.54504	0.3
71.01262	2.2
73.02820	0.7
80.04886	0.6
81.03327	16.0
81.25130	0.3
83.04893	47.6
84.05238	0.9
85.02831	0.6
87.00701	0.6
89.02316	0.8
93.03316	0.8
96.95879	1.8
98.19801	0.8
100.07555	7.2
101.02330	1.4
104.51844	0.3
108.04414	0.6
113.02323	0.7
116.92722	0.4
123.04395	0.4
126.05492	1.4
127.03928	0.5
135.04382	0.8
154.22430	0.4
157.13345	0.4
161.02280	0.5
163.03723	0.4
173.04460	1.4
179.03455	0.4
182.15433	0.9
191.03810	0.5
191.05511	2.6
199.18079	7.7
200.18469	0.5
207.14980	0.5
216.54524	0.4
224.17628	0.7
225.16037	10.0
226.14253	0.4
243.17105	23.6
244.17375	1.3
269.15073	1.5
303.21640	0.5
309.21777	1.0
353.20807	7.8
354.21115	1.0
425.34872	0.7
451.32733	2.3
465.26794	2.7
469.33942	15.6
470.34152	2.1
553.39563	0.5
579.37653	3.2
580.37787	0.5
587.29285	0.4
597.38684	100.0
598.38983	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	598.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53848	0.7
58.02578	1.0
58.02846	7.9
59.01253	11.0
61.98696	2.0
69.72432	0.6
70.02855	1.4
71.01250	5.2
71.20510	1.0
72.00771	1.3
73.02814	1.3
74.02346	15.2
82.02850	2.3
83.01297	0.8
84.04413	0.9
85.02827	1.5
85.03977	0.9
86.02341	7.5
86.05977	1.3
86.98946	1.2
87.05524	4.1
90.00064	1.8
93.03323	0.7
96.04349	0.7
96.95881	2.0
97.03948	1.7
99.05520	13.3
101.02326	1.9
101.07070	2.6
102.05492	1.7
107.06040	1.0
109.03952	2.4
111.05529	1.7
112.03926	1.7
113.02303	1.6
116.01611	1.0
120.01141	1.0
123.04449	0.7
123.05528	0.9
124.03930	1.0
125.03438	1.9
127.05013	2.7
128.03427	41.6
129.03723	0.7
131.04523	0.8
133.02859	1.0
135.04568	0.6
135.05521	3.7
137.07066	1.5
141.06659	3.6
143.04520	57.3
144.04860	1.1
145.06104	3.0
146.04497	5.2
153.06621	3.9
155.00894	0.7
160.00635	15.9
161.06068	0.9
165.01852	1.0
166.09767	3.5
167.04556	5.5
167.08153	2.5
170.03181	1.0
173.04497	0.8
177.03333	7.7
179.04547	12.4
181.06102	1.5
184.10860	1.0
185.05582	2.2
187.21121	0.7
191.03593	0.9
191.05579	1.2
197.05678	1.2
210.08771	9.8
211.09003	1.0
213.03325	0.8
217.00301	0.8
228.09837	1.1
242.07948	1.1
254.07816	17.3
255.07968	0.9
272.08875	31.8
273.08859	1.5
276.96857	0.8
283.06104	1.0
284.06454	1.2
288.06595	10.1
306.07651	100.0
307.07907	5.3
395.27994	4.3
477.60028	0.7
485.14581	1.2
497.20963	1.2
512.17291	1.3
513.18481	1.0
514.46527	0.7
539.32465	2.3
557.33118	3.5
598.27917	7.7
599.34656	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	597.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78844	1.6
70.87158	4.8
85.02836	4.8
87.00798	2.0
116.95960	1.8
127.03795	2.3
144.02940	5.5
149.33272	1.9
155.03352	2.0
173.04492	3.5
179.03348	1.9
191.05528	100.0
192.05878	3.4
243.09819	6.1
263.89795	1.8
294.46860	1.8
334.06805	1.6
353.08701	12.1
619.72949	1.8
622.48724	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	597.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52882	1.1
57.03304	1.3
58.83687	1.2
59.01249	19.2
60.33807	1.3
69.73437	8.3
71.01250	16.7
72.99151	1.8
73.02846	1.2
73.21180	1.6
75.00716	1.2
78.95780	6.6
79.95611	3.1
85.02810	4.1
89.01819	1.5
89.02321	17.3
93.03304	2.3
95.01251	2.2
96.95885	100.0
96.96790	11.3
97.95786	1.2
98.02366	3.2
99.01906	1.3
101.02322	8.3
113.02307	5.8
114.02686	1.4
119.03376	8.3
121.02843	1.4
124.01591	1.6
133.01332	1.5
135.04387	1.8
137.02313	1.6
139.03900	1.4
147.04399	2.2
149.04483	1.4
151.00279	9.6
155.03362	1.6
161.02396	1.3
161.04523	2.2
162.25949	1.2
165.01836	1.9
166.02623	29.8
173.04524	2.6
174.03056	2.1
175.03868	4.6
177.05383	2.0
179.05505	2.2
180.04137	1.3
181.04980	54.3
182.05380	2.4
190.06252	6.2
191.03395	3.6
191.05537	7.7
205.08655	7.3
209.04433	1.4
223.09717	1.4
281.04260	1.7
289.00430	1.6
297.04016	4.4
309.08044	1.5
312.06342	4.6
323.09137	1.9
327.08633	11.8
328.09021	1.9
339.08533	1.5
342.11032	17.5
343.11319	2.9
357.13428	35.1
357.17908	1.7
358.13705	4.3
362.16861	1.8
369.13556	2.4
375.14435	3.4
387.14636	15.7
388.14728	1.4
399.14499	11.9
400.14819	1.5
405.15512	27.0
406.15799	4.2
417.15457	5.6
435.16351	5.4
519.15704	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	61.2
69.95544	4.0
71.01242	8.7
71.58121	5.1
71.58564	5.0
83.01270	4.9
89.02369	3.6
96.95865	7.7
127.16602	4.3
139.03900	4.8
149.05966	41.2
151.00331	4.6
159.15732	4.5
165.01865	6.2
168.54373	4.0
179.03319	4.2
184.64586	3.8
196.97536	4.2
209.08121	100.0
209.10007	6.9
211.13400	4.6
268.03625	5.0
269.04639	10.1
283.06119	18.0
292.80301	4.2
298.04779	6.2
307.17957	4.4
313.07019	10.3
375.83823	3.9
511.15604	5.7
512.16144	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	597.3043
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
63.81127	1.0
69.94743	1.0
70.72089	0.9
73.37345	0.9
78.95773	96.7
85.05979	0.9
90.38366	0.9
96.96841	16.4
117.34521	0.9
117.36474	1.0
133.07243	0.9
144.81461	1.0
150.97867	2.4
152.99486	100.0
153.99849	1.1
171.00548	3.4
186.86392	1.1
223.00107	9.4
241.01146	22.8
242.89223	1.7
281.24850	59.8
282.25201	4.8
282.97076	1.2
285.25998	1.0
315.04883	14.2
316.05188	1.2
322.45627	1.0
334.21988	1.0
435.24905	1.2
455.21255	1.7
513.46460	1.2
597.30389	74.1
598.30621	9.6
604.96545	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	17.8
61.98689	2.9
65.00187	6.4
71.01247	5.3
71.58236	1.0
71.58649	1.3
73.02817	1.4
79.01756	3.4
85.02812	1.6
85.64729	1.3
89.00209	1.4
91.39190	1.1
93.03323	12.5
95.01250	1.4
96.95892	9.5
97.02831	4.6
101.02281	1.5
108.02037	5.6
113.02249	1.6
117.03349	5.0
119.04916	1.9
121.02834	5.3
123.04360	3.0
123.45385	1.2
128.03444	1.2
133.02838	1.2
134.03586	2.1
135.00859	1.6
135.04396	1.9
136.01543	3.6
137.02324	2.4
149.05948	2.4
149.99461	1.6
151.00298	1.4
161.02388	1.1
163.00229	1.6
164.00972	2.8
165.01854	15.7
177.01781	1.1
179.03413	6.4
183.08148	1.5
191.05496	1.7
196.05112	1.7
209.08110	2.1
211.04027	2.2
236.04759	1.8
239.03452	6.5
241.05083	3.1
250.06267	3.8
253.05107	1.4
255.03040	7.9
268.03760	18.3
269.04285	2.8
270.05295	2.0
279.02853	1.7
283.02591	7.8
283.06085	100.0
284.03305	1.7
284.06357	8.5
297.03922	1.7
298.04807	29.6
299.05219	2.6
306.07681	2.4
307.06058	1.4
309.04004	4.1
313.07169	66.6
314.07520	4.0
323.05447	1.4
349.20203	2.1
401.06857	1.5
402.07214	3.3
415.08163	1.8
416.08878	1.8
417.09738	28.1
418.10104	5.0
431.11365	6.6
457.09445	8.1
467.07834	1.2
473.08524	4.3
503.09644	6.1
597.13489	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	597.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.3
59.01248	3.6
67.01777	0.9
68.99657	1.3
69.03310	0.9
71.01250	4.4
71.58987	1.0
72.08303	0.7
73.02818	2.0
75.00752	0.8
81.03329	6.8
83.01260	6.8
85.02834	1.5
89.02305	1.4
93.03330	6.2
93.50399	0.6
95.01249	2.1
95.04903	4.0
96.95886	2.4
97.02837	4.2
97.39246	0.8
99.04397	2.5
101.02328	0.9
107.01269	0.9
107.04894	2.9
109.02828	3.4
111.04391	2.7
113.02314	2.5
115.00273	0.9
119.04906	8.3
121.02824	3.9
121.06464	1.1
123.04410	13.9
124.01511	1.0
125.02341	10.1
126.02743	0.8
133.01328	1.0
135.04416	5.9
137.02362	6.2
137.05984	6.4
139.03912	10.0
141.05493	0.9
147.04413	3.4
147.37877	0.9
149.02339	1.9
149.06004	1.5
150.03130	0.8
151.00281	1.3
151.03883	3.4
153.05499	2.4
155.03372	0.9
161.02350	0.9
161.04637	0.9
161.05988	2.2
163.03908	3.3
163.07529	1.1
164.04718	0.9
165.01830	4.5
165.05489	7.3
166.02573	1.5
167.03410	30.2
168.03741	2.1
173.04482	0.9
175.03879	1.4
177.01840	1.3
177.05531	1.5
178.02759	0.9
178.36577	0.7
179.03412	10.5
179.06975	1.3
180.04170	3.1
181.04970	2.7
189.05516	6.0
191.03503	1.7
191.05501	3.0
192.03741	0.8
193.05043	4.4
195.06552	1.5
197.04549	4.9
203.03336	0.9
205.01364	0.8
205.05008	1.0
207.06543	2.1
209.04492	28.6
210.04958	1.8
219.02959	1.5
221.04480	5.8
222.02409	0.8
223.06056	1.3
224.24565	0.7
225.07677	1.2
229.08679	1.4
231.28854	0.8
233.04645	1.0
239.05553	12.3
247.09760	1.0
248.00134	0.8
251.05661	3.9
263.05603	2.2
269.06653	3.0
273.07623	3.8
285.07596	2.2
286.41455	0.7
290.28763	0.8
315.08743	17.2
316.09116	1.4
327.08755	7.5
331.01147	1.9
341.10281	1.9
345.09735	7.1
357.09769	100.0
358.10098	8.1
366.41504	0.9
369.09552	4.2
371.11346	1.3
387.10840	82.3
388.11145	7.1
399.10754	4.5
417.11871	25.2
418.12076	2.1
429.11908	2.2
434.70251	0.9
441.11758	2.0
459.13022	10.4
460.12897	1.2
471.12576	1.1
477.14032	20.6
478.14288	2.2
489.13995	8.2
507.15073	3.1
540.51587	1.1
579.17413	1.5
597.18256	10.0
597.26898	1.4
598.19037	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	38.0
60.01582	0.6
61.98694	0.4
62.24544	0.3
70.60401	1.1
71.01244	0.9
73.02832	0.4
78.95775	0.4
89.02292	0.4
93.03389	0.6
96.95894	2.5
101.43293	0.3
106.04123	1.2
107.04923	0.9
108.02068	0.4
117.03311	0.5
119.04869	0.5
119.61861	0.3
132.02040	0.7
133.02795	0.5
135.04385	0.4
138.03151	0.7
147.04390	0.6
147.08049	2.2
149.05980	48.6
150.06351	2.2
151.03856	0.8
160.01479	0.4
161.02354	4.2
161.04521	0.4
162.03145	2.0
163.03882	1.1
163.07570	0.5
173.04410	1.0
175.03940	3.3
176.04694	2.1
177.01895	1.7
177.05467	1.0
178.02621	1.8
178.06242	0.4
179.03432	5.3
183.13762	0.4
191.03514	0.4
191.05548	0.5
191.07108	1.1
191.38222	0.3
192.04231	1.0
193.04951	1.8
194.05780	5.2
207.06560	0.4
208.07361	0.8
209.08133	100.0
210.08463	5.2
216.31279	0.3
256.53659	0.3
264.62927	0.4
284.53815	0.4
310.08405	1.3
325.10742	2.3
370.10654	0.4
385.12936	7.4
386.13300	0.9
419.78558	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2884
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
50.64498	0.4
59.01219	0.6
60.06449	0.4
62.68273	0.4
69.47761	3.5
75.00761	0.9
75.32937	0.5
78.95772	69.7
96.41689	0.5
96.96834	11.4
113.73842	0.4
150.97940	1.3
152.99481	100.0
153.99847	1.3
162.56128	0.5
171.00557	2.8
223.00060	10.3
241.01134	25.1
242.01375	0.8
259.02194	1.6
261.22125	0.5
279.23267	58.9
280.23627	6.1
315.04849	15.3
316.05225	1.0
333.06003	1.1
595.28851	85.0
596.29181	15.1
619.92133	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
59.94234	6.9
65.00206	11.1
69.49230	38.2
69.49654	20.8
71.01257	55.9
72.99194	8.8
73.02808	22.3
74.34189	6.7
83.01243	13.0
85.02817	25.1
87.00753	8.8
89.02328	28.6
93.03333	15.8
96.95901	27.7
99.00761	20.5
101.02303	26.3
102.34780	7.2
109.02839	17.4
111.00737	16.0
113.02353	15.7
113.99462	15.9
119.03365	12.0
121.02882	10.6
123.00742	10.5
123.04415	10.6
133.02858	10.5
135.04414	18.2
137.02335	21.0
139.00259	25.9
149.02385	7.0
149.04456	18.5
151.00264	27.7
154.99704	12.2
156.00453	9.8
156.93547	9.4
163.00218	9.7
164.98076	8.8
165.01889	12.6
165.98981	7.4
166.36288	7.8
166.99733	15.7
173.04420	17.1
174.01585	67.0
175.03888	11.3
177.01826	21.0
178.99791	20.3
179.03424	17.0
181.01350	27.0
187.04048	8.8
189.01918	8.7
191.03955	7.6
191.05487	47.3
193.01286	10.0
194.99207	9.1
195.06476	9.1
199.03952	7.2
219.02925	14.4
231.02959	12.9
235.02226	7.4
243.02937	9.0
257.13074	7.3
259.02344	20.8
263.99396	9.0
271.02481	11.0
275.02081	8.2
285.00531	9.6
287.01895	18.2
294.04279	7.8
299.02148	8.5
300.02350	8.1
301.03369	12.7
303.01480	18.6
303.21777	13.9
305.02802	8.6
315.01810	8.9
331.01056	39.1
399.09555	10.3
417.06711	9.1
421.20456	11.6
443.08292	12.5
465.26840	51.8
493.31027	11.4
509.09235	11.0
519.07654	10.0
553.07898	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	595.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85889	0.5
55.01746	1.9
56.60339	0.6
57.03314	1.3
58.00461	1.0
59.01251	21.2
60.01550	0.6
69.53377	1.2
69.53782	4.6
71.01254	16.9
72.99181	2.1
73.02805	3.9
73.66222	0.7
78.59559	0.6
83.01257	3.2
85.02817	7.3
87.00741	1.9
89.02324	6.7
93.03342	1.4
95.01281	1.2
96.95893	0.9
99.00732	1.4
100.59806	0.6
101.02322	11.0
106.02856	0.7
109.02850	3.4
113.02331	4.9
116.24860	0.6
119.03368	2.3
121.02832	9.0
122.03632	7.9
123.04394	2.1
124.01551	1.1
129.03346	0.8
130.94600	0.6
135.04413	2.4
137.02293	1.8
143.03436	0.9
147.04393	4.9
148.05205	0.8
149.05962	1.4
151.03850	0.7
154.02675	1.5
161.04498	1.0
161.05992	2.3
162.06735	0.8
163.03891	0.8
165.05484	18.8
166.05814	1.3
175.07597	1.2
179.05585	1.2
179.06985	5.5
191.05463	1.2
191.07101	1.0
299.12701	0.9
312.42267	0.7
313.14441	2.0
315.12347	1.8
328.13098	1.6
329.13687	1.1
343.15430	3.8
346.14212	7.8
347.14948	2.4
361.16553	70.2
362.16931	8.4
428.21609	0.6
523.21808	100.0
524.22180	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	595.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.6
61.98694	0.9
69.65757	2.5
71.01241	2.2
75.00746	0.3
81.41318	0.3
85.02814	0.9
89.02305	1.0
93.03328	1.3
96.95870	2.0
97.02781	0.3
98.19843	0.6
101.02318	1.3
102.11095	0.4
108.02029	0.5
109.02835	4.0
111.74832	0.3
113.02355	0.3
114.39905	0.3
119.03368	0.7
119.04904	0.4
121.02836	10.3
122.03635	6.5
123.00730	0.4
123.04435	0.8
124.01546	1.3
125.02298	0.7
129.03423	0.3
135.04410	2.1
136.05194	0.7
137.02312	2.0
146.03636	0.5
147.04410	4.2
148.05109	0.6
149.05940	1.0
150.03058	0.6
151.00243	0.5
153.01817	0.4
154.02631	1.4
161.04524	0.7
161.06009	1.2
163.03809	0.6
164.04742	0.4
165.05476	17.6
166.05812	1.2
173.04433	0.8
173.05910	0.7
177.05469	0.5
178.02631	0.5
178.06323	0.4
179.03281	0.4
179.07054	5.6
180.07343	0.4
191.03902	0.3
191.05539	1.9
193.04924	0.7
194.57990	0.3
209.08109	0.4
223.09691	0.9
224.09967	0.3
259.06104	0.7
259.31851	0.3
271.06122	0.3
313.14523	0.7
315.12408	1.3
316.13226	0.4
317.06775	0.4
325.06638	0.3
331.15091	0.5
339.58383	0.3
346.14224	8.1
347.14511	0.8
361.16541	100.0
362.16879	11.5
389.15958	1.2
395.25076	0.4
567.17212	0.4
595.16498	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00146	1.2
57.03314	5.5
58.42222	1.6
59.01245	8.3
59.17103	1.7
65.00182	2.7
66.25909	1.5
68.11757	1.4
71.01249	5.5
71.27850	2.7
71.28184	1.7
81.03329	6.0
83.01250	8.6
85.02828	2.1
89.02306	4.7
91.52612	1.5
93.03339	7.0
96.95879	5.4
97.02780	1.5
101.02292	3.4
107.01282	8.3
109.02832	1.8
113.02384	2.0
119.04893	3.0
121.02808	1.5
123.04395	2.5
124.01537	4.8
125.02343	45.4
126.93960	1.4
133.02834	3.6
135.02840	1.6
135.04388	1.7
137.02324	2.5
138.28505	1.5
144.02870	1.7
149.02322	3.0
151.00278	24.5
152.01057	7.1
153.01820	11.9
165.01903	8.5
165.04105	1.8
165.05501	1.6
167.03331	2.1
169.01297	5.0
172.05177	4.4
173.04555	3.0
173.05971	10.8
175.03981	3.6
176.01099	2.8
177.01831	1.5
178.99794	26.8
179.03450	1.8
188.11404	1.6
191.03519	1.5
191.05501	7.8
193.04910	1.6
215.07086	16.2
241.04915	1.9
243.06598	4.5
246.37158	1.7
247.11096	1.4
258.05151	1.7
259.06100	100.0
260.06448	7.7
268.03809	4.3
269.04541	17.6
270.04651	1.6
271.06122	5.1
276.77835	1.5
283.06027	4.6
287.05493	4.7
301.07135	4.9
304.51343	1.7
313.07117	4.9
314.07617	1.8
343.08029	1.8
361.09232	2.4
361.16434	1.8
433.11636	5.2
447.13010	2.3
457.11246	3.5
461.12918	2.3
567.17151	81.1
568.17175	10.4
577.15387	7.2
595.16687	59.9
596.16895	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	593.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.75143	2.4
69.45782	6.4
69.46188	14.9
71.01250	59.8
72.99221	5.5
73.02808	4.2
73.38825	2.3
81.16980	2.4
83.01277	3.5
84.95264	2.3
85.02814	10.6
87.00760	5.3
89.02316	66.3
91.89935	2.6
93.03312	2.8
94.75229	2.7
95.98257	2.7
101.02328	31.3
113.02326	20.2
119.03391	30.3
131.03401	5.8
132.59573	2.5
143.03360	6.8
148.56952	2.4
161.04454	8.9
173.04408	3.8
179.05527	23.2
191.05534	9.2
209.08025	4.1
240.64763	2.8
252.75456	2.7
267.41928	2.7
533.26050	34.4
551.27136	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	595.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	1.1
59.01240	3.9
65.00201	1.8
68.99666	1.4
69.70604	3.2
69.71013	4.7
71.01241	4.9
73.02785	1.2
77.04684	1.1
79.01774	1.4
81.03326	4.5
83.01264	4.6
85.02804	1.9
93.03327	10.1
95.01283	2.1
95.04873	1.7
96.95865	1.9
97.02838	5.5
101.02317	2.3
101.89835	1.5
107.01276	11.3
109.02823	6.9
111.04401	4.0
113.02361	2.9
117.03358	3.0
119.04906	50.8
120.05259	1.3
121.02825	13.8
122.03604	5.6
123.00768	3.3
123.04395	5.0
124.01508	1.3
125.02338	12.9
133.02750	1.3
135.04404	5.2
136.01566	1.6
137.02344	8.6
139.03883	9.3
143.04930	7.9
145.02841	10.4
147.04407	6.2
149.02357	4.8
150.03125	3.2
151.00258	7.1
151.03899	2.8
152.47404	1.2
155.03365	1.5
157.06494	1.5
159.04393	2.5
161.02350	2.4
161.04568	1.4
161.05983	4.6
163.00273	4.2
163.03862	7.2
165.01869	8.0
165.05499	15.2
165.26804	1.2
167.03395	14.7
173.04546	1.8
173.06009	1.7
175.03999	1.9
177.01808	7.3
177.05496	1.4
179.03371	4.5
179.07033	3.9
185.05959	2.6
187.03940	10.0
189.01825	2.8
189.05478	1.9
191.03435	5.2
191.05501	4.8
193.01299	13.8
197.04485	4.4
199.07484	3.7
205.01302	10.1
207.02931	5.4
209.04442	4.9
219.02905	5.1
221.04378	2.8
223.02501	3.1
227.07089	3.1
233.04536	2.9
235.02419	18.5
239.05566	3.8
239.50349	1.4
241.08655	1.4
249.04018	3.2
261.03925	3.4
265.03387	8.6
265.08643	1.6
271.06134	5.3
283.06125	3.4
313.07187	23.4
314.07431	2.0
325.07190	8.7
327.08716	1.5
337.07059	1.9
343.08282	8.4
346.14145	6.1
353.06296	1.7
355.08206	100.0
356.08698	9.6
356.68427	1.2
361.16553	45.6
362.16803	6.5
367.08295	6.4
369.09695	2.3
385.09238	75.9
386.09576	11.1
397.09210	4.8
415.10272	20.1
427.10303	3.1
439.09909	1.6
457.11404	10.3
458.11615	3.0
475.05768	2.5
475.12418	37.0
476.12842	2.9
487.12341	7.0
488.12488	1.3
505.13416	10.8
506.13672	1.9
577.15692	3.9
595.16608	77.2
596.16876	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	593.273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07756	0.3
50.36673	0.4
59.01233	1.3
61.44287	0.3
62.96292	0.4
70.29650	0.3
70.85025	0.3
71.01248	0.4
71.07649	0.8
71.11803	0.3
78.95772	66.1
96.95891	0.6
96.96835	13.2
107.57870	0.4
150.97922	1.4
152.99481	100.0
153.99841	1.5
169.51447	0.4
171.00523	3.0
181.31691	0.4
223.00067	11.4
241.01132	24.5
242.01549	0.8
251.77968	0.4
259.02191	1.5
259.20691	0.4
275.20105	0.6
277.21704	46.7
278.22083	4.5
315.04840	16.6
316.05209	0.8
333.05890	1.1
357.50208	0.4
534.33643	0.4
593.27264	81.4
594.27618	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	593.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.8
70.50723	1.0
71.01241	0.7
71.34078	0.4
71.38944	0.4
75.00751	1.7
78.95773	100.0
96.96838	19.5
120.10273	0.4
121.02788	0.5
134.98373	0.5
143.07726	0.5
150.97928	2.0
151.11015	0.5
152.99484	93.6
153.99855	1.7
171.00587	1.7
176.62296	0.5
179.05603	0.7
192.46001	0.4
208.29131	0.5
223.00047	2.3
229.72324	0.5
241.01144	35.7
242.01404	1.4
250.01221	0.5
259.02335	0.9
259.20844	0.8
275.20349	0.4
277.21701	57.0
278.22055	5.3
315.04834	11.3
333.06021	0.7
413.20923	6.6
414.21255	1.1
431.22040	5.6
432.22906	0.6
593.27277	93.7
594.27600	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74483	1.0
55.01768	1.3
57.03315	1.8
58.00460	2.1
59.01250	48.7
61.98686	1.2
71.01249	32.8
71.57387	2.0
72.01579	1.1
72.99177	3.5
73.02818	4.6
74.93985	1.0
75.00749	1.5
78.38714	1.1
80.40555	1.0
81.03335	1.3
83.01265	3.2
83.04861	1.5
85.02818	9.6
87.00735	2.8
88.98662	1.4
89.02319	32.4
93.03338	3.9
95.01277	2.5
95.04926	1.2
96.95893	3.2
97.06462	1.2
99.00752	1.6
99.04391	17.0
101.02325	17.4
104.53662	1.0
107.01264	1.9
109.02859	2.2
109.06448	1.2
111.04398	1.6
113.02321	13.4
119.03398	9.4
121.02821	1.2
121.06431	1.2
123.00764	1.6
125.02273	1.4
131.03412	1.4
135.04431	2.8
143.03362	1.6
149.04480	3.5
151.00259	3.6
151.03954	1.3
161.02377	1.5
161.04465	2.7
163.00282	1.4
167.03368	1.5
173.04506	5.5
174.03073	1.5
179.03406	2.7
179.05501	3.1
189.12816	5.9
191.05511	11.5
192.20709	1.3
193.05016	1.5
205.08636	1.3
207.13850	25.3
208.14189	1.6
227.03442	15.6
228.03770	1.8
229.04980	2.1
231.13783	1.4
237.11311	1.4
251.12846	74.2
252.13248	5.6
255.02963	31.1
255.05734	1.1
256.03537	5.0
257.04550	1.7
283.02454	1.3
283.06003	2.3
284.03244	48.4
285.03970	27.1
286.04294	3.1
293.13995	5.7
298.08475	3.2
306.07565	1.1
313.10843	4.5
326.03030	5.2
327.03311	5.1
343.03455	1.2
353.15872	1.6
359.14990	2.9
375.14426	3.4
413.18152	12.2
414.18292	1.4
431.19196	100.0
432.19601	9.2
455.17035	1.4
473.20364	4.7
509.18631	1.4
533.22534	4.9
549.10718	3.3
590.90277	1.3
593.15186	55.3
593.24554	9.4
594.15112	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	0.7
57.03312	1.0
58.00475	1.0
59.01250	40.1
69.03318	0.9
69.25642	3.5
69.26074	2.3
71.01250	22.0
72.99170	1.1
73.02817	15.0
74.66818	0.5
75.00744	0.8
76.49046	0.6
78.95775	1.0
83.01261	4.1
85.02823	5.8
87.00731	2.6
88.98675	1.1
89.02312	10.3
93.03308	1.5
95.01260	1.5
96.95892	0.9
97.02832	0.6
98.19817	1.3
99.00758	0.9
101.02322	15.1
102.67338	0.5
108.02050	0.6
109.02844	0.5
113.02327	7.7
119.03390	2.4
125.02303	1.2
126.15113	0.5
131.03383	1.6
135.04384	0.9
143.03360	0.8
145.02853	1.0
149.04459	2.4
152.99426	1.3
161.04453	0.6
173.04472	1.9
175.00218	0.5
183.13771	0.7
190.02682	1.6
191.05498	3.1
195.13837	11.2
196.14223	1.0
205.04974	2.4
213.14919	5.0
227.03555	2.6
243.09822	0.7
247.65002	0.6
255.02885	3.9
255.23248	1.8
256.03656	1.0
284.03256	4.4
285.04074	4.9
286.04739	0.6
329.23264	1.8
357.19150	6.2
375.20224	18.1
376.20569	1.6
389.25275	1.0
391.22665	1.3
417.21271	100.0
418.21640	10.7
435.26404	0.6
472.05450	0.6
473.27286	0.8
484.25168	0.6
491.28223	0.8
507.25089	0.9
533.30029	1.3
549.25378	13.3
550.25690	2.2
593.12848	4.5
593.25458	3.0
594.12854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1514
Annotation	6,8-Di-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
59.01250	4.2
59.95029	0.5
67.06628	0.7
71.01243	3.7
71.05921	1.3
73.02800	1.0
78.95716	0.6
80.30859	0.6
85.02831	0.8
87.00742	0.9
88.04243	0.6
89.02310	2.7
93.03337	2.3
93.25651	0.6
95.01257	0.7
96.95889	2.2
101.02334	1.9
107.33437	0.6
109.02810	1.4
110.58273	0.6
113.02321	1.3
117.03347	5.2
119.03378	0.9
119.04873	0.7
135.04381	2.8
147.04373	1.2
149.02347	1.1
149.05894	0.6
153.70270	0.6
159.04355	1.7
161.02345	2.5
163.03838	1.2
173.04431	0.7
173.36623	0.8
175.03893	1.9
177.01817	0.9
177.05492	1.8
179.03328	1.0
189.01797	1.1
189.05479	1.3
191.03592	1.2
191.05510	3.4
203.03482	1.0
205.04950	0.7
238.06429	0.8
241.05077	0.7
253.08577	1.0
259.94257	0.7
267.06699	0.7
268.07214	0.8
282.05197	1.5
283.06100	2.0
295.06152	4.7
296.06769	2.1
297.07651	17.2
298.08096	1.9
299.35962	0.7
307.06058	1.8
309.07544	1.6
311.05670	1.8
323.05560	3.2
324.06302	1.2
325.07175	7.3
326.07553	1.0
328.06003	2.9
329.06223	0.8
335.05548	1.9
337.07001	2.1
344.12613	2.0
351.05203	0.7
353.06625	39.7
354.06894	3.2
356.05466	0.9
359.15009	6.6
365.06540	4.4
377.44766	0.8
381.06113	0.8
383.07690	21.8
384.07901	2.6
395.07709	2.7
413.08463	2.0
437.08893	0.7
455.09842	1.0
473.10797	13.2
474.11179	1.4
502.87009	0.6
503.11740	3.2
575.14154	1.1
593.15070	100.0
594.15417	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.8
58.00482	0.6
59.01248	13.6
65.00199	1.0
69.03332	1.0
69.37797	0.7
70.39420	0.6
71.01252	9.5
72.99166	0.7
73.02827	2.2
75.00754	1.0
80.25564	0.6
83.01257	1.3
85.02818	3.1
87.00774	2.1
88.17201	0.6
89.02321	8.0
93.03336	3.7
95.01265	0.9
96.95909	2.7
98.20589	1.1
99.04400	2.4
101.02319	5.6
107.01300	2.9
109.02869	1.8
111.00758	0.8
113.02307	3.3
119.03401	1.7
125.02361	0.8
129.01837	0.6
131.03371	0.9
132.02055	1.1
134.06015	0.6
135.00792	2.0
135.04433	1.2
137.02353	0.8
143.03401	0.8
143.04871	1.3
149.04527	2.0
151.00240	2.9
152.00970	0.7
153.01825	1.8
159.04463	2.0
161.02354	2.2
161.04535	0.8
163.00301	2.7
163.03949	0.8
164.01054	1.1
167.03464	0.7
169.01407	1.0
173.04486	2.6
173.05858	0.6
175.03943	2.2
176.04694	2.2
177.05421	0.8
179.03397	1.2
179.05537	1.5
182.03682	0.6
183.04500	1.3
185.05951	1.7
187.03923	2.8
189.05537	1.7
190.06355	0.8
191.03554	1.3
191.05544	6.9
191.07089	0.8
195.04387	1.0
195.06598	0.7
197.06029	1.3
199.03966	0.7
201.05428	1.2
205.04987	0.7
207.13885	1.3
211.03941	3.2
212.04726	0.8
213.05527	2.2
215.03523	0.9
221.04391	0.8
227.03456	34.6
228.03847	2.3
229.05013	13.0
230.05464	0.7
239.03487	2.3
240.04221	0.8
241.05093	2.2
243.03012	1.0
249.11472	1.1
250.11810	0.8
251.12852	5.3
255.02966	61.1
256.03522	7.9
257.04520	7.5
267.02884	1.3
283.02576	1.2
283.06030	0.7
284.03256	70.0
285.04025	100.0
286.04382	8.2
297.03815	0.7
300.02646	0.8
301.03351	0.9
306.07501	1.3
327.05051	1.1
327.08490	0.7
327.60883	0.6
339.08841	1.3
342.10953	0.8
357.13293	4.7
397.13327	0.7
401.12512	3.0
413.12390	1.5
431.13596	0.9
431.19016	8.6
432.19708	0.8
461.23886	0.9
463.09100	1.9
533.21613	1.0
551.21307	0.8
593.15070	97.9
594.15393	13.9
594.24670	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.0
57.03309	1.1
58.00468	1.6
59.01252	37.4
60.01582	0.8
61.98707	0.9
65.00165	1.0
69.03320	0.7
71.01254	25.6
71.58208	1.3
72.99170	2.8
73.02811	3.2
73.26337	0.8
80.51246	0.7
83.01257	2.9
83.04883	1.0
85.02812	7.6
87.00752	2.2
88.98670	1.2
89.02319	22.6
91.86581	0.8
93.03324	3.4
95.01275	2.2
95.04886	0.7
96.95885	2.7
97.02805	0.8
99.00748	1.1
99.04394	13.5
101.02324	16.3
107.01235	1.9
108.02103	1.1
109.02805	1.7
111.04416	1.0
113.02334	11.5
119.03387	7.9
119.04843	0.9
120.03796	0.7
121.02835	0.9
121.06500	1.3
123.54159	0.7
125.02338	3.0
131.03334	0.9
133.02809	1.5
134.03584	1.1
135.04443	2.1
137.02309	0.9
143.03423	0.8
145.02809	0.7
149.04443	3.3
151.00279	3.9
153.01804	0.8
159.04398	0.9
161.04451	2.8
163.14833	1.4
167.03436	1.9
173.04504	3.8
175.02356	0.8
175.03883	1.5
177.01707	0.8
178.99829	1.1
179.03394	1.3
179.05588	4.4
181.04797	0.7
185.06041	1.0
187.03894	1.4
189.12796	5.6
191.05531	8.1
192.05919	0.9
199.04005	1.1
200.43655	0.7
203.03296	0.9
207.13837	16.9
208.14200	1.5
211.04001	1.7
227.03438	32.1
227.06889	1.4
228.03859	2.0
229.04993	4.8
231.13913	1.1
239.03500	1.3
240.04111	0.9
241.04906	0.9
249.11371	1.1
251.12856	58.6
252.13205	3.5
255.02962	58.3
256.03482	6.9
257.04471	3.6
269.13879	1.0
283.02460	1.4
284.03253	93.7
285.03983	47.0
286.04379	3.6
293.13968	2.7
298.08575	1.0
300.02649	0.9
313.10809	3.0
326.02960	0.9
327.03030	0.9
359.14948	3.1
375.14594	2.5
392.49326	0.8
413.18155	11.9
414.18411	0.9
431.19180	73.9
432.19498	5.7
461.16217	1.2
473.20386	2.1
503.21298	1.2
516.73511	0.9
533.22198	1.8
593.15137	100.0
593.24164	6.3
594.15552	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	593.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20059	0.1
57.02251	0.1
57.64925	0.1
59.01249	0.3
60.99166	0.1
70.60603	0.3
76.03072	0.2
77.03835	0.3
84.37713	0.1
91.01772	0.2
92.91398	0.1
93.03349	0.2
94.81403	0.1
94.90763	0.1
95.01308	0.1
102.91480	0.1
120.02003	0.6
121.02840	100.0
122.03172	3.4
126.07678	0.1
136.01500	0.3
146.46974	0.1
147.04422	0.1
165.01837	4.4
165.05429	0.2
166.02238	0.1
180.05716	0.4
181.04973	0.1
181.06482	2.5
181.55734	0.1
182.06863	0.2
192.18358	0.1
195.04475	0.1
197.05991	1.7
207.04460	0.7
207.08127	0.2
209.04485	54.3
210.04802	2.7
223.03943	0.4
225.05511	1.6
251.06943	0.3
257.09665	0.5
285.09317	0.2
301.08722	0.4
313.07123	1.5
314.07416	0.1
329.08221	0.2
329.11899	0.2
357.06235	0.8
358.06265	0.1
373.10812	0.2
383.03171	0.1
383.07755	1.4
394.98370	0.1
401.08652	0.4
417.09692	1.0
487.10034	0.1
505.11426	2.6
506.11646	0.4
549.01752	0.2
549.10394	5.8
550.10663	0.9
593.12988	8.4
594.13269	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	593.13
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00915	0.4
59.01244	1.4
61.98710	0.5
69.74850	0.9
69.75266	2.0
75.63078	0.5
78.95787	0.8
80.96393	0.9
98.19876	0.8
120.02068	0.8
120.86744	0.5
121.02840	100.0
122.03201	3.4
152.99446	0.7
165.01852	5.6
180.05670	0.8
181.06499	3.1
197.06050	1.7
209.04489	64.7
210.04773	2.4
225.05521	1.7
293.21378	0.6
295.83731	0.4
313.07123	1.7
322.00534	0.5
355.37152	0.5
357.06183	2.8
358.55768	0.5
383.07611	3.3
395.27701	0.6
417.09900	1.6
440.37704	0.4
505.11200	2.5
506.11798	0.6
549.10248	4.7
593.12817	7.2
593.26624	1.1
594.13336	0.6
621.18127	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14189	2.3
56.73207	2.1
57.03340	3.3
58.00465	3.9
59.01249	76.5
69.03321	3.6
69.70108	12.7
71.01250	48.8
71.07236	2.0
72.99183	7.6
73.02815	28.6
75.00763	2.7
81.03278	2.5
83.01296	5.7
85.02827	22.2
85.99986	2.8
87.00126	2.2
87.00746	9.8
87.04391	4.5
89.02318	28.5
93.03345	5.0
96.95860	3.0
97.02801	6.4
98.15831	2.2
101.02319	56.1
103.03886	24.0
109.02818	2.4
113.02328	9.7
115.03859	5.9
119.03382	15.1
125.02331	17.9
127.03943	2.8
131.03397	10.5
135.04407	4.0
138.06760	9.4
139.07558	2.5
143.03409	13.3
145.04962	7.4
151.07535	5.4
152.08337	20.0
153.09120	23.4
159.21671	2.4
161.04491	2.6
163.06036	44.0
163.11220	2.9
173.04466	8.8
191.05536	29.4
205.07115	16.9
205.12271	63.5
206.12613	5.6
221.57887	2.3
223.13310	4.0
247.08232	5.7
249.11171	5.0
265.09479	2.2
271.02692	3.1
300.02670	5.5
301.03372	3.6
307.10400	8.3
327.81628	2.4
373.09030	4.4
531.24475	100.0
532.24768	14.7
590.30408	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	591.2611
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
57.69699	1.4
60.67278	1.3
69.30930	9.3
69.31348	3.5
73.64056	1.2
94.80327	1.3
96.75319	1.5
125.90555	1.3
210.19797	1.3
290.17874	1.3
366.40884	1.6
396.17438	1.5
443.22549	2.3
444.19565	2.2
471.26147	3.0
472.22510	3.3
482.21280	1.6
485.19876	2.3
487.24918	3.9
490.86801	1.7
497.23431	4.2
499.21365	5.0
500.22089	15.6
501.22314	2.7
515.24500	100.0
516.24609	21.5
559.23438	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	591.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.1
59.01252	60.8
69.03320	3.4
69.38920	7.5
71.01250	28.3
72.99191	1.9
73.02814	11.3
83.01250	2.9
83.04885	2.1
85.02829	8.6
87.00743	2.7
89.02316	35.4
95.01273	1.4
95.04945	1.4
96.95898	2.1
97.02829	1.5
98.19786	1.4
99.04427	1.8
101.02318	18.4
103.03903	1.8
113.02321	7.8
119.03413	8.6
125.02333	6.6
131.03401	5.7
135.04482	1.5
135.11659	2.6
136.01579	9.3
137.02351	1.8
143.03404	2.6
149.04463	68.1
150.04755	2.4
151.00249	1.2
151.03926	12.8
152.01152	1.2
152.99500	2.0
153.09129	5.7
157.08559	1.5
161.04434	4.7
163.03818	1.6
163.11197	1.1
166.02626	4.6
173.04471	2.1
175.03883	1.4
179.05577	5.1
179.10703	14.6
181.05013	7.6
191.05536	3.4
215.12730	1.4
221.06586	4.2
255.23241	3.6
263.07883	1.2
267.16010	100.0
268.16443	7.2
323.09863	6.6
349.40720	1.2
357.09564	2.0
372.12079	1.5
373.22205	2.8
387.14432	23.6
387.23059	5.1
388.14819	1.8
415.19479	2.1
429.17627	2.4
459.22232	2.1
547.27283	2.3
591.30731	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70250	0.7
55.01736	1.0
57.03291	0.9
58.00454	3.1
59.01249	74.0
59.98388	0.9
62.05206	0.7
62.58099	0.8
69.54218	5.5
71.01253	41.8
72.01600	0.8
72.99179	2.7
73.02817	3.1
79.05404	1.0
81.06980	0.8
83.01250	3.0
85.02818	10.1
87.00742	2.5
89.02312	50.2
95.01255	3.4
95.04890	0.9
98.19748	1.4
99.00735	1.0
99.04402	6.2
101.02322	23.2
109.02856	1.0
111.04401	2.7
113.02327	18.0
119.03392	20.8
119.04234	1.2
120.05680	1.0
125.02311	1.1
125.05963	1.0
131.03378	2.3
135.04355	1.0
143.03413	4.1
148.72050	0.7
149.04433	1.6
152.04776	0.9
157.06500	1.1
159.08105	1.3
161.04453	6.5
161.09607	1.0
161.13260	18.9
169.10107	1.6
172.08916	0.9
173.04462	1.1
173.13336	0.7
179.05533	17.4
185.13287	2.1
187.11200	24.7
188.11530	1.3
191.05539	2.5
203.10739	0.8
205.12277	40.9
206.12616	2.8
229.12279	7.9
231.10141	2.2
247.13301	3.9
249.11295	67.0
250.11664	3.7
271.02438	1.2
273.11185	1.3
291.12415	4.6
301.03381	0.9
304.06949	1.0
306.07614	1.1
321.13403	0.9
328.66971	0.8
340.11743	0.8
351.14606	2.7
385.18719	8.0
411.16592	14.9
412.17053	1.6
420.39191	0.7
429.17636	100.0
430.17905	9.2
435.92377	0.8
471.18411	1.3
591.22809	12.1
591.30640	1.2
592.23236	1.6
609.14771	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23937	2.2
59.01251	24.8
61.98671	2.9
66.74865	2.2
71.01239	4.5
71.57590	2.7
71.57967	2.4
78.95760	2.9
95.69129	2.4
96.95865	3.0
101.02317	3.6
116.65389	2.3
145.06467	12.0
189.05489	13.4
231.53191	2.6
302.08173	3.8
317.10248	7.0
323.25873	2.7
339.25299	2.7
341.26929	100.0
342.27261	10.4
355.28839	2.6
372.46692	2.8
488.23102	3.4
589.34790	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	591.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.2
57.03323	1.7
58.00463	3.7
59.01249	87.2
71.01253	50.7
71.44747	1.1
71.45104	1.2
72.99181	3.5
73.02821	3.0
75.00713	1.0
79.05382	2.1
81.03329	1.1
81.06970	1.7
83.01247	2.7
85.02816	10.6
87.00759	2.8
89.02314	53.2
93.03321	1.1
95.01253	4.0
96.95914	2.2
99.04385	7.2
101.01685	1.8
101.02322	26.1
107.04868	2.3
111.04403	1.6
113.02326	22.8
114.02709	1.2
119.03391	21.5
125.02322	1.2
131.03398	2.4
135.04453	1.4
143.03400	4.6
149.04495	2.5
149.06027	0.9
153.05244	0.9
154.80991	1.0
155.03368	1.0
157.06479	1.3
159.08009	1.4
161.04424	5.3
161.09747	1.2
161.13260	19.8
179.05528	15.5
185.13216	2.0
187.11209	28.6
188.11496	1.9
191.05550	1.2
205.12271	43.4
206.12669	2.6
229.12245	5.7
231.10175	2.8
247.13206	1.6
249.11287	73.7
250.11661	3.1
259.13541	1.1
291.12503	5.4
329.02902	1.2
351.14368	2.1
385.18649	5.1
411.11688	1.5
411.16577	20.7
412.16974	2.3
429.17612	100.0
430.17883	10.0
471.18542	1.9
549.25299	2.1
591.22845	8.2
592.23358	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	589.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52308	0.2
59.01245	0.3
67.41632	0.2
69.25212	1.5
69.25642	0.9
71.01252	0.3
72.99184	1.8
75.00743	100.0
76.01094	1.0
78.95764	1.2
81.88374	0.2
89.02331	0.3
98.20580	0.5
152.99457	0.4
167.82420	0.2
194.93718	0.4
260.46262	0.2
268.97601	0.4
277.21738	0.5
279.22879	0.3
338.14603	0.2
354.91263	0.2
380.86331	0.2
507.27740	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	29.8
61.98680	2.3
68.65888	2.1
70.80330	3.0
70.80707	6.8
71.01263	4.5
89.02309	3.3
96.95862	3.4
101.02333	4.9
113.02290	2.1
116.76636	2.2
147.04419	4.1
235.16980	19.8
253.09276	21.2
275.20117	21.9
293.21207	100.0
294.21399	10.7
331.90765	2.3
503.14285	2.5
589.35815	3.6
612.00232	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	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	31.6
61.98702	3.6
62.42883	1.5
71.01252	7.3
71.24812	3.1
71.25153	2.0
73.02831	2.8
76.78323	1.5
82.17647	1.4
89.02299	5.2
96.95877	1.7
101.02314	6.8
113.02312	2.2
113.09595	2.3
119.03339	1.9
121.10078	2.1
136.27429	1.5
161.04485	2.8
171.10168	5.1
182.68500	1.6
183.13843	7.6
187.42993	1.5
195.13866	2.2
223.13342	2.5
235.08081	1.4
253.09241	26.0
267.92709	1.8
275.20251	10.0
275.22717	2.5
276.20474	3.1
293.21204	100.0
294.21533	8.8
301.89050	1.6
616.55438	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	589.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34583	0.9
59.01251	20.4
67.01768	1.3
71.01247	8.9
71.58492	1.0
72.99185	1.6
73.02820	5.8
75.00718	1.0
78.95762	0.8
81.03320	1.2
83.01248	1.6
83.04901	4.0
85.02825	8.0
87.00755	3.0
89.02325	6.2
91.37350	0.8
93.03336	11.1
96.95870	4.2
97.02834	1.1
99.00754	1.2
101.02339	6.6
108.02029	1.1
109.02833	1.5
111.04394	10.2
111.75517	0.8
113.02312	3.5
119.03390	1.4
123.04402	1.1
127.03915	1.2
133.02847	2.7
135.04440	1.9
135.10661	0.8
137.02333	2.0
147.04465	1.5
149.02296	3.5
149.04460	7.7
151.03931	1.2
155.03395	9.0
161.02377	1.7
173.04469	17.0
174.03174	1.4
177.01816	2.0
181.06531	1.0
187.16933	1.0
191.05539	49.4
192.05896	1.3
197.06052	1.1
209.05994	6.0
223.07536	1.4
225.05452	2.8
235.04022	1.3
237.05574	1.9
239.03519	1.7
239.07118	3.3
249.05637	0.9
250.06454	1.2
251.07050	3.0
253.05067	10.6
254.05574	1.4
265.05023	1.3
267.06677	9.4
268.07327	6.5
278.05856	2.0
279.06525	2.4
280.03607	1.8
281.04538	9.3
282.05035	1.1
284.06857	2.2
287.05627	2.4
294.05380	1.1
295.06094	25.9
296.06854	29.4
297.03973	2.8
297.07172	2.3
306.05502	2.0
307.02762	1.3
307.06186	2.6
308.03226	1.5
309.04059	16.6
310.04623	3.4
312.06326	4.0
323.05573	40.1
324.06345	24.0
325.03406	1.3
325.06833	3.6
335.01999	2.1
339.08740	11.5
340.05640	1.4
340.09286	1.3
350.04315	3.4
353.02988	2.9
365.06644	3.2
368.05380	26.0
369.05875	2.1
371.11273	6.8
372.11575	1.3
383.07693	83.1
384.08051	8.5
391.26877	1.7
397.09265	11.5
398.09598	1.3
415.10333	100.0
416.10620	12.3
459.16821	1.0
545.16522	2.7
545.26044	1.9
557.12878	5.8
589.15808	10.1
589.28589	2.0
590.15686	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	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01316	0.2
53.86617	0.2
54.94373	0.2
59.01236	0.2
69.32807	0.4
69.33219	1.5
72.99175	2.1
73.02785	0.2
75.00743	100.0
76.01089	0.9
78.95763	0.6
101.18377	0.2
105.30199	0.2
114.20210	0.2
117.08560	0.2
121.89343	0.2
138.39247	0.2
253.09373	0.2
258.58005	0.2
268.97443	0.3
277.21887	0.4
293.21326	0.7
296.02869	0.2
503.55972	0.2
545.13141	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.5
59.01247	5.8
65.03828	0.4
67.01768	0.4
69.35773	3.1
71.01248	2.2
73.02821	1.3
77.03838	2.1
81.03327	0.6
83.01229	0.4
83.04895	1.2
85.02835	1.4
87.00727	0.9
89.02315	2.6
89.03846	1.3
93.03331	6.5
93.71793	0.3
95.04905	5.0
96.95912	0.4
97.02810	0.3
101.02310	1.4
105.03339	17.1
109.02844	0.4
111.04407	4.8
113.02327	0.9
119.04936	0.9
121.02840	0.9
123.04411	2.1
127.03898	0.5
129.01846	0.8
132.02039	1.0
133.02847	100.0
134.03564	4.4
135.04427	5.0
135.31798	0.3
136.04724	0.3
137.02322	4.6
139.03908	1.3
145.02841	0.9
147.00761	0.7
149.02415	0.4
149.04454	5.8
150.03128	0.7
151.03917	1.5
155.03392	5.2
161.02315	1.7
163.04022	0.3
163.64769	0.3
173.04475	14.2
174.04753	0.6
176.01028	0.4
177.01846	87.9
178.02574	10.5
179.03429	5.4
180.71960	0.3
191.03616	0.5
191.05527	2.0
193.04980	0.9
205.04994	0.4
207.02922	22.6
208.03496	1.5
222.03011	0.7
222.05275	21.5
223.05795	2.4
237.07642	27.9
238.07957	1.3
281.04514	0.4
308.09097	0.8
351.07169	0.9
352.07837	0.6
367.10254	1.9
371.11160	1.4
383.07544	3.3
384.07724	0.4
413.18246	0.7
415.10312	14.5
416.10684	1.1
589.15466	3.5
589.28955	1.3
590.16144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05545	0.3
58.47484	0.3
59.01249	2.5
67.01769	0.6
69.03328	0.3
69.53655	0.4
70.44559	0.4
70.44946	0.4
71.01258	1.1
73.02814	0.7
77.03830	2.4
78.62752	0.3
79.47900	0.3
81.03328	0.6
83.04912	1.6
85.02833	1.2
87.00772	0.5
89.02288	0.7
89.03844	1.2
93.03331	4.8
95.04899	5.0
96.95897	0.7
98.19913	0.3
101.02296	0.6
105.03338	16.7
106.03603	0.4
109.02826	0.3
111.00813	0.3
111.04408	4.1
113.02256	0.4
121.02819	0.8
123.04418	1.8
127.03977	0.3
129.01820	0.5
132.02074	0.9
133.02846	100.0
134.03250	3.6
135.04416	3.6
137.02348	3.2
139.03934	0.8
147.00786	0.4
149.02333	0.6
149.04439	0.9
150.03096	0.4
151.03940	1.4
155.03412	4.3
160.01601	0.5
161.02356	0.8
163.94287	0.3
173.04460	11.3
174.04877	0.4
176.00986	0.3
177.01846	78.0
177.33719	0.3
178.02516	8.0
179.03401	3.9
179.06731	0.3
191.03616	0.6
191.05537	3.3
192.05962	0.3
193.04955	0.4
207.02922	19.3
208.03419	1.2
209.04175	0.3
222.05275	17.1
223.05798	1.9
232.89769	0.3
237.07640	21.0
238.07973	1.2
308.08832	0.3
338.02191	0.3
351.07071	1.4
352.07712	0.4
366.09555	0.4
367.10391	0.8
371.11356	1.0
383.07700	3.8
384.08224	0.4
397.09155	0.4
415.10321	8.3
416.10532	1.2
589.15576	2.2
589.28613	0.6
590.15393	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52278	0.3
57.03336	1.9
58.00459	0.4
59.01248	11.2
60.01572	0.3
60.99171	2.5
65.03817	0.9
67.01757	11.3
68.99702	0.3
69.03319	2.7
70.92630	0.5
71.01249	8.2
71.04878	0.5
72.00143	0.3
72.99175	0.5
73.02824	1.4
75.00760	0.3
77.03837	0.7
79.17014	0.3
81.03316	2.6
83.01235	0.7
83.04907	2.4
85.02818	10.5
87.00747	9.2
89.02309	1.8
89.03819	0.5
93.03331	60.3
94.03662	1.6
95.01276	0.4
95.04900	1.5
96.95886	1.3
99.00751	1.3
99.04398	0.8
101.02315	1.8
105.03334	4.4
107.04906	0.9
108.02030	0.5
109.02827	4.3
109.80665	0.3
111.00740	1.2
111.04398	9.8
113.02329	2.2
115.03895	0.6
117.42105	0.3
121.02831	0.9
123.04377	1.5
124.01528	1.1
125.02331	1.3
127.03903	2.3
129.01805	0.8
131.03391	0.5
132.02022	2.1
133.02846	27.6
133.16393	0.3
134.03711	2.3
135.04411	22.1
136.04691	0.8
137.02336	5.4
139.03912	0.5
147.00804	0.4
149.02365	1.2
149.04471	2.9
150.03104	1.0
151.03882	2.3
153.01839	0.4
155.03401	4.1
160.01561	4.5
161.02339	1.7
161.04393	0.4
164.04756	0.4
167.03430	0.6
171.02908	0.7
173.04462	100.0
174.04799	3.1
175.03915	0.4
177.01843	17.1
178.02577	2.3
179.03407	8.0
179.06943	0.5
180.03830	0.4
191.05530	91.5
192.05881	3.1
198.46796	0.3
198.48636	0.3
207.00977	0.6
207.02927	10.9
208.03644	4.1
209.04338	0.3
215.05547	8.9
221.04437	0.3
222.05287	9.3
223.06055	7.4
224.06360	0.8
237.07645	8.3
238.08096	0.4
307.08145	1.6
308.08923	2.4
344.96143	0.3
351.07178	10.0
352.07776	1.5
357.09653	0.4
366.09457	0.6
367.10309	3.5
383.07770	1.9
384.07867	0.4
397.09247	4.4
398.09607	0.8
415.10315	1.5
416.09985	0.3
529.30469	1.8
545.16870	0.7
547.31024	0.8
557.13068	2.3
558.13025	0.5
589.15546	6.3
589.30206	1.0
590.16125	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32597	0.3
56.68481	0.3
57.03329	1.3
59.01247	10.3
60.99163	0.7
62.69722	0.4
67.01759	5.3
69.03316	1.3
69.80416	0.3
69.82866	1.5
71.01250	6.1
72.99161	0.4
73.02804	1.6
77.03835	0.7
81.03355	1.6
82.58205	0.3
83.01262	1.0
83.04884	1.4
85.02345	0.3
85.02825	3.9
87.00739	2.1
89.02317	2.5
93.03333	35.7
94.03671	0.8
95.01265	0.5
95.04897	1.1
96.95863	1.0
97.02827	0.4
98.19801	0.3
99.00777	0.5
99.04395	0.4
101.02314	1.6
105.03342	3.7
107.04907	0.3
108.02053	0.5
109.02833	1.8
111.00748	1.2
111.04395	5.6
113.02327	1.9
121.02864	0.5
123.04395	0.5
125.02358	0.4
127.03919	0.8
131.03394	0.5
132.02129	0.4
133.02844	20.4
134.03554	1.0
135.04424	4.9
137.02338	5.2
139.03941	0.4
142.07251	0.3
149.02354	0.5
149.04456	3.4
150.03159	0.4
151.03912	0.7
155.03409	5.0
160.01520	1.6
161.02292	0.6
161.04523	0.4
173.04463	100.0
174.04829	3.0
177.01846	14.8
178.02567	1.8
179.03419	2.9
179.05005	0.3
179.05608	0.3
179.07051	0.4
191.05533	26.2
192.05873	0.8
207.02924	6.4
208.03682	1.3
215.05548	1.7
218.34259	0.3
222.05270	5.6
223.06049	1.7
237.07631	5.7
283.02396	0.8
285.04068	0.5
299.01669	0.4
307.08096	0.5
311.02106	0.3
312.02756	0.7
313.03421	0.7
320.97058	0.3
341.23380	0.4
351.07159	3.3
352.07697	0.5
367.10049	0.6
368.14444	0.3
383.07605	2.0
384.08420	2.3
385.08917	0.8
385.21814	0.6
385.26080	0.8
397.09378	1.2
415.10373	1.6
418.68988	0.3
507.52945	0.3
529.30286	3.4
545.16907	0.6
545.25446	0.4
547.31317	1.1
557.13031	1.2
589.15479	3.1
589.30859	0.4
590.16125	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82122	1.5
51.87658	1.1
52.29548	1.2
59.01251	30.3
71.01254	6.7
78.95791	2.5
79.70614	1.1
89.02312	5.3
97.06460	26.3
98.20553	2.9
101.02311	7.1
109.00623	1.2
113.02304	2.1
159.34987	1.5
161.04463	2.8
161.07814	1.1
193.12280	7.4
211.13339	23.6
235.08284	1.8
253.09265	26.0
254.09654	1.3
273.18521	1.3
277.21661	5.3
291.19650	100.0
292.19998	10.2
505.25821	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	589.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.0
59.01249	9.5
69.03336	0.9
69.47052	1.6
69.47471	3.0
71.01241	6.0
73.02807	3.4
73.50351	0.7
81.03333	1.9
83.01254	1.3
83.04903	3.2
85.02827	6.7
87.00777	2.9
89.02313	3.7
93.03334	10.6
96.95885	2.7
96.96441	0.6
98.20512	1.0
99.04454	0.7
101.02316	3.2
105.03373	0.6
107.11488	0.6
108.02042	1.2
109.02830	1.3
111.04391	10.6
113.02340	1.6
119.03423	1.0
121.02790	0.9
123.04391	0.9
125.02324	0.7
125.78334	0.6
127.03910	1.8
129.01826	1.6
131.03360	1.4
133.02838	1.8
134.03575	1.1
135.04390	1.5
136.01526	0.6
137.02374	1.5
147.04422	1.7
149.02411	2.9
149.04445	4.2
155.02162	1.0
155.03394	9.1
156.03763	0.7
160.01730	0.7
161.02402	1.5
173.04466	16.8
173.05972	1.2
174.03145	2.4
174.04495	0.6
175.03911	0.9
177.01820	0.9
179.03345	0.7
181.06473	1.6
185.05998	1.2
189.01826	0.9
191.05530	57.4
192.05870	1.3
193.06580	0.8
197.06046	1.6
209.06015	6.1
209.07820	0.9
211.07605	1.1
221.06160	1.6
222.06844	0.9
223.07570	1.3
225.05481	2.5
229.05054	0.8
235.03899	1.1
236.04401	0.8
237.05537	3.0
239.03413	2.0
239.07123	3.2
249.05464	1.3
250.06221	1.5
251.07014	3.9
252.07396	0.9
253.05022	14.6
254.05556	2.5
263.03510	1.1
264.04373	0.8
265.05048	1.3
266.05795	1.5
267.06592	10.9
268.07281	9.0
269.04578	0.8
271.05829	0.8
277.05063	1.2
278.05841	1.3
279.03152	1.5
279.06586	3.7
280.03659	1.2
281.04535	10.9
282.05118	1.7
283.05936	0.8
284.06866	2.0
287.05576	3.2
291.02890	1.2
293.04474	1.3
295.06104	26.6
296.06857	34.7
297.03995	3.1
297.07306	2.5
306.05359	2.7
307.02548	1.4
307.05975	2.1
308.03259	1.8
309.04019	16.5
310.04523	2.9
311.05563	1.1
311.09018	1.2
312.06311	5.2
323.05563	45.8
324.06317	24.3
325.03485	2.0
325.06903	3.1
335.01904	2.2
339.08688	12.1
340.05640	1.8
340.09280	1.0
350.04315	4.5
351.04562	0.7
353.03003	3.3
354.03641	0.9
365.06552	3.5
368.00571	0.9
368.05319	28.2
369.05762	4.8
371.11310	6.8
383.07687	91.0
384.08145	9.0
391.26978	1.1
397.09241	12.8
398.09564	1.2
415.10303	100.0
416.10678	10.9
422.64093	0.8
545.16614	2.3
557.13055	4.9
558.12946	1.0
589.15588	10.6
589.28595	1.5
590.15997	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	587.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70860	1.7
52.90429	1.7
59.01249	100.0
61.98692	4.1
66.81446	1.8
69.03299	2.8
69.47486	4.3
69.47884	13.2
71.01249	38.0
72.99165	2.4
73.02816	13.7
75.00743	2.5
76.67223	2.0
78.25379	1.6
83.01254	4.7
85.02811	13.2
87.00723	5.7
89.02327	13.5
93.03327	6.2
95.01248	3.0
96.95868	5.3
99.00761	3.4
101.02311	20.6
109.02791	2.1
113.02333	22.0
119.03383	3.8
125.02313	3.1
131.03365	2.8
131.78429	1.9
135.04372	4.4
137.02301	2.1
143.03372	3.4
149.04414	7.7
161.02365	2.3
161.04439	6.0
173.04485	7.9
175.02470	1.8
179.05341	2.4
180.74100	2.0
191.05522	7.1
193.04878	2.5
235.16757	3.7
251.16508	2.1
283.02386	3.8
312.02783	4.0
382.06833	7.1
383.07629	3.6
455.22812	28.4
456.22894	2.9
483.29456	13.7
501.30466	5.1
543.00885	2.0
587.14154	5.6
587.30286	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	587.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36839	0.4
55.01753	5.1
57.03313	5.1
58.00460	1.8
59.01248	100.0
60.01573	0.9
68.59515	0.4
68.99699	0.6
69.03323	1.4
70.02068	1.9
71.01250	92.5
72.01566	1.1
72.99169	3.1
73.02815	26.3
75.00748	2.0
76.35057	0.4
81.03315	0.6
83.01254	16.6
84.02061	0.9
85.02818	43.9
86.03165	0.9
87.00741	5.0
89.02313	15.4
95.01256	9.0
97.02821	4.1
98.20501	0.5
99.00751	13.8
101.02315	64.0
102.02647	1.1
111.00757	1.6
112.01537	0.6
113.02326	42.1
114.02675	1.2
119.03383	4.0
125.02321	4.5
127.03849	0.6
129.01840	2.0
131.03397	1.2
143.03386	5.7
146.33324	0.4
155.03380	0.6
159.02898	7.8
161.04454	33.6
162.04782	1.0
167.03491	0.4
179.05489	1.3
185.04407	0.8
201.04030	0.5
205.03467	1.2
218.39209	0.5
221.06599	2.0
231.06406	0.9
314.79449	0.4
317.21060	1.0
365.23270	1.2
383.24371	9.5
384.24478	1.0
425.25470	2.2
449.25055	0.6
527.28436	1.5
545.29626	55.5
546.30042	8.5
587.30603	27.0
588.31128	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	587.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.7
59.01251	31.1
63.64378	1.9
66.61148	1.5
67.08915	1.7
69.86285	3.1
69.86704	7.4
71.01257	8.6
81.59903	1.7
81.68762	1.7
83.77571	1.8
89.02304	3.8
93.03307	2.0
100.07678	1.7
101.02317	4.0
103.91904	2.0
113.84886	1.7
121.02811	4.1
121.10098	3.3
125.09607	4.4
155.56680	1.9
175.65889	1.8
185.11804	6.0
186.96880	3.0
192.92384	2.0
196.27457	1.9
197.11751	2.3
215.74748	1.7
220.14616	6.6
221.15388	13.6
236.10434	8.6
247.20549	2.2
253.09325	18.6
263.20105	5.6
273.18649	4.5
291.19666	100.0
292.19928	7.1
293.17584	9.9
499.04239	5.3
527.28650	10.7
528.29486	2.6
587.05615	6.8
588.06146	3.1
608.52399	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	585.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54387	0.7
57.03326	1.3
57.51540	0.7
58.00450	1.2
59.01250	100.0
69.23388	0.7
71.01252	28.0
72.99189	0.9
73.02816	12.0
75.00743	0.8
83.01246	4.3
85.02819	8.0
87.00758	1.7
89.02313	19.6
93.03360	1.1
95.01289	2.7
99.00795	1.1
101.02315	17.5
101.44873	0.8
107.94527	0.7
113.02333	20.0
119.03390	8.2
131.03430	2.1
135.04454	2.8
136.04813	0.7
143.03436	2.7
149.04492	1.9
161.04449	7.8
173.04527	1.1
179.05537	9.0
191.05550	1.4
481.28018	7.2
482.28799	0.8
499.29306	3.0
541.30182	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	587.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99477	1.1
59.01252	26.2
59.26205	0.9
70.41234	0.9
70.80489	1.2
70.80819	2.4
71.01247	4.1
71.04893	16.6
73.02823	2.2
75.39656	1.0
83.48698	0.9
85.02829	1.7
87.00735	1.8
89.02303	3.5
96.95879	0.9
97.06468	4.4
98.20498	0.9
101.02333	5.8
113.02344	1.7
119.03387	1.3
161.04443	2.7
180.95979	1.0
181.12270	1.4
207.13779	2.1
219.13864	2.2
235.17059	1.6
247.20699	1.9
253.09247	19.7
291.19662	100.0
292.19962	9.0
405.96805	1.2
444.27655	1.1
452.32962	1.1
527.28351	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	585.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36297	0.6
55.01765	4.6
57.03329	3.6
58.00467	1.7
58.77561	0.7
59.01249	100.0
60.01573	0.9
67.57545	0.6
68.90447	0.6
69.03332	1.3
70.54082	1.3
71.01251	62.5
72.99183	2.2
73.02814	17.9
75.00758	1.1
80.35313	0.6
81.03316	0.9
81.45596	0.6
83.01260	10.1
85.02821	29.2
87.00758	2.7
89.02318	12.7
89.37518	0.5
95.01252	4.8
96.95900	3.5
97.02838	3.2
98.20451	0.8
98.95483	2.5
99.00756	9.1
99.92456	2.0
101.02319	45.8
102.02638	0.8
112.01571	0.8
113.02328	30.7
114.02600	0.7
115.91983	3.0
116.92738	14.0
119.03389	4.7
125.02338	4.1
129.01820	1.0
131.03374	1.2
143.03404	4.8
155.03397	1.1
157.08641	0.7
159.02939	5.1
161.04463	20.7
162.03233	0.6
162.04686	0.7
167.03360	0.9
179.05478	1.6
216.45151	0.6
219.17459	1.1
221.06596	1.5
225.97566	0.7
226.79282	0.6
337.23779	2.5
363.21875	0.7
381.22742	5.3
382.23270	0.9
423.23636	3.2
465.28366	2.4
483.29636	1.3
525.26831	1.6
541.17487	1.0
541.30219	1.6
543.28101	34.7
544.28668	5.4
562.65302	0.7
585.29126	34.8
586.29510	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	585.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09946	0.7
55.01762	0.9
57.03316	1.0
59.01249	100.0
60.01591	0.9
61.98700	0.9
71.01252	17.9
72.99169	0.9
73.02818	5.5
73.03172	0.8
78.95785	0.9
83.01283	3.3
83.04899	1.0
85.02817	6.4
87.00779	2.1
89.02312	14.1
93.03344	1.6
95.01270	2.0
96.95898	2.7
99.00760	0.9
101.02315	12.4
103.02170	0.7
105.26698	0.7
106.40622	0.8
106.89301	0.8
113.02331	13.1
115.88640	0.7
119.03387	6.0
125.02356	1.1
131.03438	0.8
133.02884	0.9
135.04404	6.3
137.02361	1.1
143.03406	1.7
149.02397	1.4
149.04506	1.6
150.03107	1.3
151.03918	1.2
154.99847	1.0
155.76224	0.8
161.02432	1.0
161.04514	2.9
165.01877	0.9
165.05508	2.0
173.04509	2.6
179.03458	2.4
179.05518	2.1
191.03572	0.9
191.05583	3.6
195.06650	1.3
223.06078	1.1
367.10553	2.0
481.27975	4.3
499.29248	5.3
537.21259	1.8
541.30377	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03735	1.2
55.01742	1.3
59.01249	100.0
70.64820	4.5
70.92763	1.2
71.01250	31.6
72.99178	1.4
73.02818	10.6
80.96846	1.1
83.01260	3.5
85.02824	9.1
87.00732	2.4
89.02320	17.8
93.03309	2.2
95.01251	3.5
96.95889	2.0
99.00723	1.5
101.02323	18.7
113.02325	27.1
119.03361	7.5
120.41806	1.1
120.44812	1.2
131.03354	2.3
133.02841	1.4
141.01965	1.4
143.03371	3.8
149.04523	1.6
160.46307	1.1
161.04471	7.0
165.05563	1.3
173.04411	2.7
179.05536	6.6
191.05556	2.2
205.44177	1.3
271.02353	1.5
300.02817	2.9
463.08694	1.5
481.28134	13.9
482.28427	2.2
499.28970	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	585.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39844	0.7
55.01764	2.1
56.35027	0.6
57.03318	3.2
58.00473	2.2
59.01248	100.0
60.71819	0.8
61.98726	0.7
63.23554	0.9
69.03313	0.8
71.01251	53.6
71.57954	0.8
72.98815	0.7
72.99191	2.7
73.02818	12.7
83.01244	10.1
85.02824	24.6
85.03353	1.2
86.46788	0.7
87.00742	5.1
89.02316	20.8
89.97830	0.7
95.01257	4.6
96.95892	1.7
97.02814	2.6
99.00770	5.9
101.02318	39.4
102.02646	0.8
104.92717	0.7
111.00753	1.7
113.02324	25.5
114.02605	0.8
116.92759	2.0
117.07485	0.8
119.03388	7.3
125.02315	4.1
131.03387	1.5
143.03389	6.2
149.04419	1.5
149.05917	2.0
155.03407	0.9
156.50388	1.0
159.02899	3.9
161.04468	15.1
179.05510	4.8
189.49129	0.8
191.05653	1.0
209.08089	5.9
221.06697	4.7
248.06183	0.9
276.63391	0.7
279.06549	1.6
287.03699	0.8
307.06058	3.3
315.19620	1.0
322.08459	1.5
337.10858	4.8
347.44220	0.9
363.21469	1.0
381.22665	5.3
382.22852	0.8
423.23773	2.4
461.21753	1.2
465.28940	1.0
496.76471	0.9
525.26782	1.8
541.30060	0.9
543.28076	40.2
544.28442	6.2
585.29102	24.9
586.29474	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	585.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87825	1.0
61.81184	1.1
66.03328	1.1
68.04924	1.5
68.67224	1.1
69.19353	1.1
69.67145	7.4
70.02843	3.0
72.00772	12.8
72.99181	3.8
73.02821	2.2
80.04945	1.8
82.02864	5.6
82.06516	1.8
87.00732	1.2
96.04391	1.3
98.02343	3.6
98.05968	2.9
99.00719	2.5
100.03925	6.2
107.03612	1.2
108.04462	2.3
116.03462	1.3
124.07505	1.4
128.03398	7.9
136.07562	1.3
138.49310	1.1
144.02919	46.4
145.06059	2.4
146.06010	1.6
150.05501	6.4
152.07028	3.5
160.97876	1.1
163.08624	2.3
164.07065	2.9
167.08141	2.8
169.09758	1.8
181.09769	3.2
195.07663	11.1
213.08656	5.7
225.08749	47.1
226.09019	2.5
232.91867	1.3
243.09822	100.0
244.10222	5.3
258.88278	1.2
259.09360	1.6
297.37759	1.4
361.07260	1.8
363.90833	1.2
399.31717	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	585.23
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87970	8.7
63.91667	7.8
69.81399	58.2
85.02820	14.1
93.03352	30.1
96.95898	20.3
111.04397	9.4
134.03572	13.9
135.04387	55.6
155.03426	9.7
173.04433	61.5
179.03430	43.7
191.05533	100.0
340.07770	10.0
353.08804	44.9
493.98392	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	582.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	22.0
62.42146	0.4
70.42440	0.5
70.60686	1.0
75.40546	0.4
78.95778	20.1
91.47135	0.5
96.64806	0.4
98.20617	0.5
115.15600	0.4
119.47762	0.5
123.06754	0.5
138.10962	0.6
150.86073	0.5
152.99466	2.9
168.04211	2.8
224.06866	7.5
242.07883	2.0
283.26407	100.0
284.26730	9.9
284.29752	0.9
381.61292	0.5
444.38013	0.5
508.34064	58.7
509.34381	8.9
561.01312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35909	0.3
57.03287	0.4
59.01249	40.3
60.01601	0.4
61.98694	1.4
69.29120	3.8
71.01251	5.3
72.99156	0.4
73.02816	1.9
75.00742	0.9
78.68067	0.4
78.95764	4.4
79.95612	2.2
83.01266	0.9
83.04899	0.7
85.02339	0.3
85.02821	1.4
89.02303	1.7
93.03313	0.5
95.01257	0.5
96.95885	100.0
96.96876	4.2
97.93032	0.4
97.95816	0.5
98.20494	0.7
98.90525	0.3
101.02314	3.0
113.02330	2.2
114.93288	1.2
116.92714	0.6
116.97130	0.6
119.03371	1.0
119.08548	0.4
123.04383	0.4
130.14119	0.4
132.98100	0.4
137.09612	0.7
156.99052	0.5
161.04523	0.7
162.03127	0.5
173.04391	0.7
191.05550	0.4
198.99298	0.7
200.94632	0.3
209.08179	0.6
210.98894	0.4
225.29114	0.4
259.01389	0.4
287.83902	0.4
335.22263	4.6
336.13284	0.4
379.24805	0.5
399.23779	0.4
419.17471	0.8
426.81909	0.5
441.24603	0.5
461.09625	0.4
479.19562	2.2
479.26157	0.7
492.67453	0.4
497.20822	1.7
535.17145	0.9
539.28363	1.9
547.17560	0.4
553.18866	0.8
565.18604	0.5
583.20032	0.5
614.35229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.4
58.93246	0.7
59.01250	68.3
69.03335	1.7
69.53629	4.3
69.54057	2.1
71.01259	8.4
71.04859	0.9
73.02808	4.4
73.65213	0.7
76.76530	0.9
78.95767	2.8
79.95609	2.7
83.01244	1.7
85.02843	2.7
86.37381	0.9
87.00723	0.9
87.55079	0.8
89.02317	3.5
96.95887	100.0
96.96876	3.7
97.06455	4.0
97.95773	0.7
98.95469	2.7
99.04404	9.3
99.92400	0.9
101.02311	4.9
113.02321	2.5
114.93332	1.1
115.91943	2.2
116.92718	6.6
118.96523	1.0
119.08553	1.6
137.09612	2.8
161.04474	1.2
167.10687	6.4
191.05482	1.4
209.08109	0.8
335.22244	52.3
336.22705	4.7
377.23331	1.6
399.23871	0.9
419.17563	0.9
479.19543	3.4
497.20752	3.5
539.28601	1.0
583.14685	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	581.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83744	0.5
56.47330	0.6
57.03327	2.0
58.00476	1.9
59.01249	87.9
60.01602	1.3
69.24302	6.6
71.01254	18.4
72.99180	1.8
73.02801	1.6
74.47952	0.6
78.12517	0.6
85.02814	4.4
87.00738	1.1
89.02321	15.8
90.02737	0.6
92.16953	0.6
95.01250	1.0
95.04906	0.6
96.95871	0.9
97.06459	0.7
99.04391	8.6
101.02326	7.7
109.06496	0.7
112.36935	0.6
113.02314	5.9
118.84607	0.6
119.03410	5.1
131.03403	0.7
137.02327	1.1
149.02461	0.6
149.04469	3.2
151.00241	1.0
162.71500	0.6
165.05495	0.9
165.12740	4.4
175.03961	1.7
180.04166	0.7
189.12808	1.7
190.06271	1.1
191.05478	1.0
191.07010	0.8
193.05086	0.9
205.08614	2.0
207.13821	10.9
208.07245	1.0
209.11766	29.8
210.12083	2.2
216.36530	0.7
223.06131	0.9
225.14903	13.0
226.15205	1.4
251.12862	6.3
251.49327	0.6
269.13922	71.0
270.14252	5.3
272.03137	1.7
287.15009	2.1
389.15936	9.6
390.16415	0.6
401.17957	0.7
431.19232	1.1
449.20267	100.0
450.20612	11.0
509.20038	0.9
581.16296	1.6
581.24487	37.9
582.24805	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	581.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13025	0.9
56.63335	0.8
57.03314	3.2
57.06065	0.9
58.00445	1.4
59.01249	74.5
60.01564	0.9
61.01637	0.8
65.48550	0.7
67.00114	1.1
69.37682	3.6
69.38111	4.1
71.01252	20.2
72.99174	2.0
73.02779	2.1
75.00753	0.9
76.32892	0.9
78.46680	0.8
83.01259	2.3
83.04870	1.1
85.02824	5.5
87.00747	2.6
87.34863	0.8
89.02311	20.2
93.03332	2.6
95.01262	1.7
95.04921	1.0
96.95878	3.0
97.06453	1.2
99.04391	9.4
101.02306	12.5
109.06466	1.6
113.02312	7.5
116.92723	2.3
117.86776	0.8
119.03387	6.3
131.03305	1.0
135.04402	0.9
137.02299	1.2
138.03186	1.7
149.02347	1.2
149.04445	5.1
149.05879	0.8
153.05420	1.2
160.01581	0.9
161.04407	1.1
165.01846	2.3
165.05428	1.6
165.12743	3.9
173.04482	1.7
179.03404	1.9
179.05508	0.9
180.04170	1.2
185.50285	0.8
189.12724	1.6
191.05550	4.8
195.06561	1.7
207.13788	13.2
208.14212	1.3
209.11761	26.8
210.12100	1.9
223.06071	1.3
225.14906	12.0
233.08305	1.0
251.12820	11.5
252.13243	1.1
269.13916	55.3
270.14267	3.6
287.15073	1.3
309.70386	0.9
359.11295	1.2
365.47418	0.9
377.12344	1.5
401.18295	6.3
409.64810	0.9
419.17184	2.5
431.19122	4.2
449.20236	100.0
450.20667	11.8
458.71390	0.9
581.24261	38.9
582.24640	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	581.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09202	0.5
50.41261	0.5
54.05682	0.5
59.01251	8.5
65.00191	0.8
69.03310	0.5
71.01255	4.1
71.38207	1.3
72.99163	0.8
73.02814	1.4
81.03377	0.5
83.01279	0.6
85.02833	1.7
87.00764	1.2
89.02298	2.4
93.03329	1.7
95.01254	0.7
96.95905	2.4
99.00833	0.6
101.02296	2.5
107.01208	0.7
108.02037	0.7
109.02825	1.3
111.04417	0.7
113.02325	1.2
116.92735	0.7
119.03368	0.6
119.04954	0.9
121.02837	1.7
123.00744	0.8
123.04418	0.8
125.02316	0.7
133.02856	0.6
134.03615	0.8
135.04422	1.4
137.02339	7.5
138.03017	0.6
139.00261	1.7
145.02832	1.7
147.04416	2.6
149.02364	6.3
149.04410	1.4
149.48901	0.5
150.03072	1.0
150.31926	0.5
151.00266	1.1
151.03893	4.8
152.01057	2.3
152.04721	0.7
153.01819	1.0
159.26932	0.5
161.02333	1.2
161.04567	0.8
161.05969	0.8
162.03143	0.7
163.03917	6.0
164.04706	4.2
165.01842	16.3
165.05504	1.4
166.02454	1.3
166.06274	1.3
167.03506	1.2
169.01312	0.8
169.04912	1.1
173.02261	0.9
173.04491	2.5
173.05818	0.6
174.03127	3.0
175.03905	17.4
176.04689	3.7
177.01874	1.6
177.05446	2.4
178.02640	0.8
178.99762	1.4
179.03407	4.8
179.07076	1.5
180.04192	21.2
181.04828	2.0
182.02054	0.6
188.04758	3.3
189.05490	7.2
190.06271	19.4
191.03778	0.9
191.05507	4.1
191.07059	13.0
192.04250	1.1
192.07437	0.7
193.01363	3.3
193.04970	9.3
194.05754	9.7
195.06558	13.1
196.06924	0.6
203.03444	0.8
203.07101	2.2
205.05219	0.6
205.08643	16.8
206.08990	0.8
207.06584	7.9
208.03728	7.9
208.07321	7.9
209.04243	0.9
209.08006	1.2
210.05280	2.1
222.08861	0.9
223.06067	23.0
223.09494	1.0
224.06479	1.4
225.07622	13.8
225.14874	0.7
226.07956	1.1
232.03441	0.5
233.04510	1.1
235.06058	0.7
243.02867	0.9
243.45886	0.6
245.04500	0.6
269.14017	0.7
271.02475	1.5
275.30823	0.6
287.02032	1.2
288.02676	0.7
289.03473	0.6
311.09189	0.7
315.01489	3.0
329.14200	1.2
332.01749	1.3
351.45224	0.6
359.11105	1.0
374.13745	2.4
389.16049	100.0
390.16397	10.7
392.94876	0.6
401.12207	1.2
419.17212	3.3
449.14496	2.1
449.19803	0.7
537.08752	1.5
581.24036	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.4
57.03321	1.3
58.00474	4.4
59.01249	100.0
60.01576	0.8
61.98687	1.6
64.65832	0.6
66.06915	0.6
69.87875	3.7
71.01253	71.3
72.01591	1.2
72.99178	8.1
73.02824	2.2
75.00748	2.0
83.01248	3.7
85.02824	12.0
87.00744	5.3
89.02316	97.0
90.01302	0.6
90.02654	1.9
93.03323	1.1
94.98032	0.6
95.01263	3.9
96.95879	2.6
97.02832	0.8
99.00147	0.6
99.00768	1.3
101.02319	43.1
109.02796	0.8
113.02329	28.4
119.03389	41.5
123.00773	0.9
124.01545	1.0
125.02345	1.4
131.03407	4.5
131.04922	0.8
135.04401	1.1
137.02324	3.7
138.03079	2.4
139.00189	0.6
139.03874	0.7
143.03406	7.6
147.04398	0.8
149.02385	1.7
149.04440	4.3
149.06001	0.7
151.00269	1.3
151.03937	3.2
152.04648	1.2
153.05453	1.5
158.03609	0.9
159.04408	1.0
161.02332	1.1
161.04486	6.2
163.03772	0.7
165.01781	0.6
167.03355	0.7
173.04448	1.5
173.05905	1.5
174.03160	1.1
175.03926	7.1
176.04562	1.3
177.05446	2.5
178.02489	0.6
178.99742	0.8
179.03337	0.7
179.03770	0.9
179.05536	16.1
180.04144	1.1
187.03917	7.8
188.04639	2.6
189.05533	2.9
190.06284	4.4
191.03421	1.2
191.05470	3.7
191.07042	1.6
193.04889	1.1
194.05791	0.8
201.05376	0.9
202.06244	2.5
203.03493	0.7
203.07011	3.3
205.05000	9.5
205.08577	1.6
207.06316	0.6
208.07251	0.6
209.78481	0.8
215.03372	0.6
217.05002	0.9
217.08606	1.4
218.05650	1.3
219.06476	2.0
220.07362	7.9
221.97238	0.7
233.08006	0.9
235.09727	7.1
271.02533	1.1
297.07422	0.7
309.07578	1.1
313.10687	1.3
315.01297	2.4
325.10492	0.9
326.11215	0.7
341.10190	7.7
342.10550	1.0
355.11533	1.3
356.12628	3.7
371.11429	0.9
371.15100	4.0
386.13452	1.5
389.11356	0.7
389.15875	3.6
401.16052	49.8
402.16388	6.4
421.79932	0.7
537.08307	0.7
581.22144	6.6
582.22095	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	12.2
61.98690	0.3
67.01752	0.2
69.38771	0.6
69.39185	1.7
71.01255	2.0
73.02821	0.7
78.95780	1.9
79.95610	2.5
83.01244	0.3
85.02822	1.0
87.00682	0.3
89.02303	0.6
93.03320	1.4
93.10386	0.2
94.03762	0.3
95.01290	0.2
96.95887	100.0
96.96883	3.0
98.90458	0.2
99.00742	0.4
101.02303	1.0
109.95747	0.2
110.67188	0.2
111.04411	0.3
113.02299	0.8
114.93309	0.7
118.96483	0.4
121.02821	0.2
132.98035	0.2
133.02835	0.6
134.03645	1.2
135.04440	0.5
137.02310	0.5
139.03909	0.2
149.04485	0.3
161.04391	0.4
170.99796	0.2
173.04480	2.5
173.25296	0.2
177.01855	0.3
177.05418	0.3
178.02563	0.4
191.05557	1.8
193.04938	0.6
198.99255	0.3
211.13293	1.3
211.88173	0.3
259.01447	0.5
265.46817	0.2
309.14975	0.3
327.15982	0.5
345.17065	1.2
371.15134	0.2
385.13022	0.2
397.22290	0.4
407.17255	0.3
439.23465	0.8
495.19009	1.7
549.89557	0.2
563.21265	1.1
596.26569	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	20.7
61.98693	2.2
67.01745	1.0
69.99825	1.9
70.00220	2.1
71.01260	5.8
73.02825	1.7
78.95776	1.3
85.02830	3.3
87.00739	1.5
87.04396	1.8
89.02316	0.9
93.03337	8.3
96.95881	19.1
98.20492	1.0
101.02341	3.1
108.02058	1.0
111.04448	1.2
113.02348	1.8
119.03336	1.0
119.04932	2.2
121.02825	7.0
122.03631	16.0
123.04409	1.5
125.02322	1.2
133.02855	4.8
134.03651	5.3
135.04425	3.6
136.01550	1.4
137.02336	2.2
141.01566	0.8
147.04442	3.2
149.02351	21.9
149.04372	1.3
149.05959	1.4
150.03130	94.3
151.03529	3.9
159.04320	0.8
161.02345	1.1
163.03914	1.3
164.04710	3.8
164.65979	0.8
165.05481	100.0
166.05797	4.0
173.04453	9.7
175.03917	18.5
176.04517	2.7
177.01799	1.6
177.05464	2.0
178.02663	2.9
179.03415	1.0
180.04169	8.0
180.15216	0.8
181.05005	1.4
188.04695	1.8
190.06274	5.5
191.05521	11.1
195.06561	52.3
196.06859	1.7
209.08049	1.6
211.13326	5.3
218.05824	5.2
222.05214	8.5
223.05875	1.1
225.05540	1.2
237.05554	1.3
250.06310	1.9
251.07120	0.9
253.04698	0.9
265.05167	1.1
266.05823	3.5
269.08090	0.9
278.05765	5.2
279.06528	1.7
280.07425	1.1
281.04614	3.5
281.08102	2.7
282.05319	1.6
291.06680	1.0
293.04477	0.9
294.05255	2.2
295.09726	2.6
297.07733	1.7
306.05194	5.3
307.06082	4.7
309.03952	3.2
309.07446	1.5
309.14774	0.9
310.04688	2.3
320.06842	2.0
321.07666	14.3
322.04932	1.3
322.08359	4.9
323.05640	1.2
323.09177	6.5
324.06323	5.1
324.10016	3.1
325.07144	13.2
326.07675	2.2
327.15836	1.9
335.09213	1.9
336.10098	5.7
337.07199	11.5
337.10776	2.5
338.08063	1.8
339.08719	10.7
340.09445	9.7
341.10162	3.1
345.17010	6.1
352.09451	3.7
353.10205	1.8
354.11090	8.8
355.11813	27.7
356.12201	3.0
364.26834	0.9
367.11838	43.2
368.12161	4.1
371.10913	1.0
371.15079	1.3
385.13269	1.0
471.14429	1.1
473.12518	1.4
483.62433	0.8
488.14676	1.5
489.15494	1.6
503.17099	16.4
504.17651	2.2
515.17078	3.1
516.17371	1.0
533.18158	25.3
534.18286	4.3
539.27960	1.0
551.19196	17.5
552.19781	2.1
563.21259	5.9
581.20288	22.6
582.20563	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	581.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03039	0.8
59.01252	6.8
67.01766	0.8
71.01243	3.2
71.58907	1.2
73.02800	1.4
85.02821	2.0
87.00758	0.9
89.02304	1.3
93.03352	1.2
96.95885	2.4
99.92434	1.2
101.02310	1.8
109.02872	1.0
113.02323	1.0
119.04896	0.8
121.02883	4.2
131.03415	2.1
135.04369	2.6
137.02339	7.3
149.01221	1.4
149.02356	24.1
149.04280	1.3
150.02940	1.0
151.03879	1.8
152.01059	4.2
163.03929	4.2
164.04692	15.7
165.01840	69.4
166.02148	2.2
167.03403	1.3
169.04987	2.2
173.04396	1.6
179.03398	10.5
179.06995	4.5
180.04199	40.0
181.04663	1.7
191.03600	0.9
191.05478	4.2
192.99741	1.4
193.01355	14.9
194.05716	1.6
195.06558	54.1
196.06902	1.9
208.03705	28.9
209.04123	1.4
210.05241	10.2
223.06067	100.0
224.06354	5.2
225.07634	60.3
226.07971	2.9
315.01413	2.3
342.11179	1.5
353.42496	0.9
363.17984	1.2
367.28561	1.0
401.12354	8.9
449.14694	6.4
450.14371	1.1
581.20361	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02623	1.8
54.31632	1.8
59.01246	75.7
61.98679	5.0
63.43124	2.0
65.00182	7.2
71.01239	4.4
71.58435	3.1
73.02823	2.0
78.95754	2.0
79.01745	6.3
80.92130	2.1
85.02815	2.7
89.00192	2.2
93.03329	46.2
94.72343	1.8
96.95895	3.4
97.02821	4.3
101.02341	3.6
107.01283	2.5
111.04400	2.5
115.07588	2.3
115.52747	1.8
116.01254	1.7
117.03311	5.5
119.04911	4.4
121.02813	6.7
127.66656	1.8
136.01527	4.3
138.44720	1.9
149.05963	2.4
149.99423	2.7
156.40935	1.7
163.00276	2.8
164.01045	5.9
165.01839	21.4
165.05441	3.2
178.02519	2.9
179.03400	12.2
193.04953	2.9
196.05141	2.2
209.07945	2.4
217.65068	1.9
221.06067	15.0
225.05484	2.4
225.07626	4.1
234.06819	3.9
235.07469	6.3
239.03465	8.0
253.05003	6.4
254.05637	2.5
261.05450	3.5
268.03723	28.5
268.06354	3.5
269.04187	2.8
281.04526	6.8
282.05301	33.6
283.06091	100.0
284.06479	7.5
292.03778	2.2
293.04422	3.5
297.07642	46.8
298.08038	4.0
306.05118	2.6
307.06036	4.1
321.07681	4.4
341.07956	2.4
372.06430	5.2
385.07007	4.2
386.07782	8.7
387.08698	47.1
388.08923	4.8
400.09552	3.2
401.05295	2.7
401.10312	38.8
415.11768	9.2
427.07901	5.1
441.09857	6.4
472.07764	3.6
487.10309	26.3
488.10602	3.1
502.60095	1.9
581.14337	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	581.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31037	2.0
51.17886	1.5
53.27906	2.0
59.01253	36.9
64.31675	1.9
65.00187	7.2
67.68687	1.9
69.27696	13.7
69.28121	5.0
71.01260	6.1
71.40749	1.8
83.01278	3.6
85.02843	4.3
93.03355	4.0
93.03986	2.2
96.95909	5.3
96.99185	1.9
99.92505	2.0
101.02321	3.5
106.00458	2.3
107.01258	5.4
109.02830	6.2
111.00763	4.3
113.02317	3.1
116.92746	25.1
121.02828	2.0
123.00800	2.5
124.01547	2.9
125.02345	2.7
137.02327	6.3
139.00287	6.9
140.23555	2.0
147.04404	2.3
148.98621	2.1
149.02347	6.6
149.99525	2.4
150.03168	2.8
151.00233	18.0
151.03897	3.2
152.01004	3.1
153.01834	4.1
153.98987	3.0
154.99757	6.5
159.04402	2.7
161.02359	2.5
163.00246	2.8
163.03970	2.7
164.04613	1.9
165.01845	6.6
165.99010	5.0
167.03410	2.4
169.01295	3.0
171.04431	3.5
173.02283	1.9
173.04457	3.7
175.03954	6.4
177.01836	4.4
177.99045	2.1
178.99774	23.1
179.03395	2.9
179.06944	1.7
180.04204	6.5
181.98499	5.1
187.03923	8.4
189.01909	2.1
189.29134	1.7
190.06316	6.6
191.05519	3.4
191.07077	4.3
193.01323	3.0
193.04987	4.7
194.05638	2.1
194.99333	3.8
195.06602	4.8
203.03438	7.1
205.08690	4.8
207.06483	2.9
208.03773	2.0
208.07307	2.8
210.05353	2.3
215.03458	5.3
223.06035	9.0
225.07582	5.8
231.02930	8.2
232.03729	3.6
233.04581	2.7
243.02946	10.5
255.02972	2.3
259.02448	4.8
260.03189	2.0
261.03983	3.4
269.13873	2.9
271.02402	10.2
286.01190	2.3
287.01965	41.5
288.02478	5.7
289.03354	2.7
297.00586	2.7
300.02875	2.6
303.01544	3.4
315.01456	100.0
316.01804	7.9
318.27100	1.9
332.01733	22.3
333.02469	6.9
339.12503	2.7
340.12625	3.5
389.16040	22.9
437.11438	2.2
449.20337	5.6
495.07712	2.7
519.07629	3.2
537.08777	31.9
538.09052	4.1
581.25165	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	580.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77031	0.3
59.01247	21.4
61.98700	3.4
66.79966	0.3
78.95771	22.6
80.96365	0.4
88.92464	0.3
92.10773	0.3
96.95889	7.8
101.90760	0.3
152.99478	3.2
168.04208	3.2
224.06859	9.0
242.07933	1.8
255.23230	1.4
255.25580	0.3
281.24826	100.0
282.25162	8.0
349.83310	0.3
416.03757	0.3
483.27405	0.7
497.42822	0.3
506.32468	62.0
507.32837	8.4
516.02917	0.3
581.30127	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32154	0.8
53.87509	0.8
56.07566	0.8
59.01247	5.9
63.02264	2.5
65.00187	8.5
68.99677	1.7
69.03307	1.5
71.01266	2.0
71.26751	0.8
73.02829	2.0
79.01725	0.9
83.01257	2.5
85.02792	1.1
87.00736	1.5
89.00224	0.9
89.02299	1.4
90.30377	0.8
93.03349	1.1
95.01264	4.1
96.99177	1.6
97.02822	1.1
101.02325	2.2
106.00457	2.5
107.01288	7.6
108.02032	1.8
109.02828	7.6
110.00004	2.9
111.00769	9.0
113.02296	1.4
117.03339	1.3
119.04940	1.2
121.02834	2.3
123.00787	5.7
124.01581	2.2
124.98670	3.2
125.02341	4.3
131.04892	1.4
133.02826	2.6
133.99971	1.1
135.00743	2.9
135.04422	1.0
136.98685	3.3
137.02306	3.4
137.99562	1.7
139.00270	12.2
140.01108	1.3
141.01840	1.2
143.04944	2.1
145.02812	1.6
147.04372	2.1
148.01569	1.9
148.98761	1.1
149.02341	4.3
149.99509	5.3
151.00266	22.1
151.03897	1.4
152.01114	4.4
153.01909	5.4
153.98907	2.3
154.99759	6.6
159.04391	2.7
161.02328	3.9
163.00270	4.7
163.03929	2.2
164.00870	1.2
164.98155	4.3
165.01810	2.8
165.98999	4.1
166.99797	5.4
168.00511	3.4
169.01318	7.0
169.02687	1.8
171.04442	4.0
173.02357	2.2
174.03349	1.0
175.03853	3.5
176.01057	1.7
176.98260	1.3
177.01849	3.7
177.99010	7.8
178.99779	27.8
179.03395	1.5
180.00266	2.8
181.01311	1.7
181.98431	5.5
183.04376	1.2
187.03926	8.1
189.01872	4.0
189.05443	1.0
190.02628	2.2
191.03383	2.5
191.05515	1.8
192.00546	2.1
193.01295	3.4
194.99220	3.6
197.00795	1.4
198.03093	1.0
199.03951	4.8
201.01869	3.5
203.03436	6.6
204.03769	1.1
204.97627	1.2
205.01309	2.0
206.99323	3.0
207.02962	1.9
208.00032	4.4
209.00818	4.1
213.01816	1.0
214.02525	1.3
215.03468	6.5
217.01312	1.6
217.04984	1.9
219.03020	1.8
219.81554	0.9
222.98808	4.3
223.99461	1.7
227.03470	1.9
229.01350	2.8
230.02214	1.9
231.02956	6.9
232.03716	5.8
233.00772	1.2
233.04523	8.4
242.02155	1.8
243.02931	12.5
245.00851	4.2
245.04494	3.0
247.02504	1.9
255.03012	1.2
257.00949	1.6
258.01605	2.9
259.02380	7.1
260.03036	1.4
261.04056	3.3
269.00867	1.8
270.01581	1.2
271.02444	24.4
272.02881	2.4
273.03989	1.3
286.01193	3.5
287.01950	33.5
288.02603	10.3
289.03503	6.9
297.00583	5.2
298.01004	2.0
299.01935	2.8
300.02679	3.1
301.03632	5.4
303.01398	2.9
304.02286	1.3
313.02798	1.0
314.00702	4.0
315.01440	100.0
316.01819	8.8
317.02921	2.7
331.00562	1.1
332.01703	19.7
333.02335	8.5
357.02423	1.7
366.30228	1.0
385.07922	1.6
388.00150	1.1
397.07526	2.9
401.07187	3.4
437.10822	2.4
451.08646	1.1
465.10382	3.7
493.09659	2.6
495.07831	3.4
519.07416	4.5
520.07935	1.2
537.08844	36.1
538.08929	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	580.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	16.5
60.01559	0.2
61.98422	0.2
61.98706	3.8
63.99110	0.3
69.32240	0.5
69.32640	2.1
78.95770	6.8
96.95879	1.7
118.13963	0.3
123.71378	0.3
152.99466	1.4
168.04269	1.3
203.85425	0.2
224.06870	0.8
240.04561	0.2
242.07962	2.3
255.23364	0.3
281.24832	100.0
282.25195	9.2
289.44070	0.2
426.67477	0.3
506.32468	27.5
507.32858	3.4
523.87555	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17788	0.4
51.94645	0.4
52.87559	0.4
57.03306	0.8
58.00462	0.8
58.60371	0.5
59.01248	7.5
61.48122	0.4
61.98680	1.4
69.92669	0.9
69.93069	1.9
71.01252	3.1
72.99187	0.4
73.02808	2.0
73.10556	0.4
85.02823	1.4
87.00762	0.8
87.04377	1.0
89.02306	1.1
96.95897	0.8
99.00750	1.0
101.02303	2.1
113.02307	0.9
116.92809	0.4
123.08078	0.7
125.09608	0.7
132.73943	0.4
135.04381	0.5
139.11214	0.4
143.10664	1.2
144.84898	0.4
152.95273	0.4
153.09103	1.2
156.00478	0.4
157.12238	1.4
169.12219	1.3
173.04402	0.8
185.11740	1.9
191.05544	1.3
215.12807	1.5
295.22882	1.2
313.23822	5.8
329.23251	3.0
331.24878	100.0
332.25226	9.0
343.24744	0.7
345.26468	1.8
352.08276	0.4
373.25842	2.5
407.21152	0.5
447.26114	1.0
475.29282	0.9
493.30313	2.6
535.31262	8.3
536.31396	1.1
579.30579	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	579.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54313	0.3
57.03325	2.1
58.00469	0.8
59.01249	14.1
61.98701	6.0
67.01758	0.4
69.03315	0.6
70.40978	0.4
71.01253	6.9
71.58338	0.5
72.99168	0.8
73.02824	3.4
75.00768	0.8
81.03326	0.4
83.01260	1.5
83.04890	0.4
85.02821	2.9
86.90305	0.3
87.00741	0.8
87.04384	1.5
88.98672	0.8
89.02313	2.3
93.03339	1.0
95.01276	0.6
96.95878	1.5
97.02815	0.4
97.06451	0.4
101.02321	4.7
103.03876	0.4
109.06451	0.5
111.04385	0.4
113.02338	2.1
115.69086	0.3
115.92002	0.4
116.92783	0.3
119.03363	0.8
121.02842	0.4
123.04400	0.8
123.08019	1.4
125.02343	1.6
125.09604	0.5
127.11064	0.4
133.02826	0.3
134.03592	0.4
135.04390	1.4
137.02332	0.5
137.09608	0.5
139.11159	0.7
141.09076	0.7
141.12781	0.5
143.03339	0.5
143.10672	0.4
147.20161	0.3
149.04465	0.8
151.00246	0.6
151.04030	0.3
153.09103	1.1
155.03372	0.4
157.12276	1.3
161.02386	0.5
161.04462	0.7
167.03438	1.6
169.12239	1.4
171.10126	0.5
171.13936	0.4
173.04492	2.5
179.03352	0.6
181.04944	0.8
185.11743	1.9
187.13406	0.4
191.05482	2.4
199.13300	0.6
209.04333	0.3
215.12851	0.8
217.14401	0.4
221.06496	0.5
224.35440	0.3
230.65948	0.3
251.20088	0.4
306.49811	0.4
311.22284	0.6
329.23401	2.4
331.24811	1.3
339.25482	0.7
353.08746	0.5
357.26425	10.9
358.26883	1.0
373.25906	1.9
374.26239	0.6
375.27490	100.0
376.27811	13.0
389.29044	3.7
403.19727	0.5
417.15674	1.1
417.28592	4.5
429.28760	0.6
459.29535	1.2
519.26550	0.4
519.32434	0.8
535.31134	1.2
537.32446	0.5
579.33716	4.3
580.34155	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37336	0.3
59.01244	1.2
60.86812	0.4
63.96098	1.0
69.03337	0.7
71.01257	8.0
73.02809	2.2
78.95763	0.8
78.98458	6.8
79.95600	10.4
80.96388	78.1
81.03324	0.9
83.01234	0.5
85.02824	2.7
87.00249	0.5
87.00733	3.3
94.73796	0.3
94.97961	17.2
95.01205	0.4
96.95895	5.6
97.02816	2.0
98.20579	0.7
99.00755	0.6
101.02324	3.2
106.97951	3.4
113.02320	0.5
122.97459	7.3
125.02334	3.7
126.34221	0.3
127.03896	1.0
134.97479	5.4
136.99031	1.8
148.99039	6.3
152.98524	9.2
164.98538	12.6
182.99638	2.4
188.98596	0.4
206.99661	3.8
225.00690	21.2
226.01042	0.5
243.01775	1.4
245.04398	0.7
254.81586	0.4
270.13120	0.4
279.23236	3.3
299.04404	3.6
328.21014	0.4
418.73602	0.4
579.28406	100.0
580.28790	17.2
580.35864	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25515	2.1
59.01249	49.3
61.98694	3.7
66.86366	1.7
71.01250	17.5
71.37605	3.6
73.02815	23.3
78.95766	23.2
83.01260	6.8
85.02766	1.7
88.71261	2.0
89.02302	2.9
93.03308	2.9
96.96819	2.9
101.02321	17.4
113.02315	5.6
143.03433	2.1
149.04451	2.7
149.05994	3.8
152.99504	4.5
161.04477	8.0
193.63715	2.0
209.08102	6.8
221.06573	2.1
269.19058	4.5
287.20062	4.9
307.95288	2.0
313.18082	15.0
323.61307	1.9
331.19135	100.0
332.19431	11.3
341.06165	2.0
373.20105	6.9
535.25494	41.5
536.25708	5.4
578.31085	2.8
579.31500	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	579.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25731	0.7
54.82179	0.8
55.01752	2.1
57.03318	2.1
58.00457	2.9
59.01250	100.0
60.01585	1.8
61.98705	1.6
67.01762	1.0
69.03333	1.4
71.01253	42.7
71.58212	1.2
72.01584	1.0
72.99176	4.2
73.02814	6.5
75.00731	1.2
78.95763	0.8
79.95591	1.2
83.01253	6.3
85.02823	13.6
87.00762	3.4
89.02315	31.2
90.02681	1.0
93.03337	3.6
95.01269	4.3
96.95878	6.9
97.02837	0.9
99.00742	2.0
99.04385	3.7
101.02318	26.7
102.02649	1.2
111.00784	2.2
111.04370	1.3
113.02328	15.8
114.02661	1.1
119.03390	12.3
121.02891	0.9
123.04394	1.1
125.02350	1.9
131.03378	1.4
134.03607	2.3
135.04405	2.9
136.01576	0.9
137.02332	1.7
143.03394	1.2
145.02808	1.0
147.04289	0.9
149.02341	1.6
149.04454	2.0
151.00267	1.5
151.03787	0.9
161.04453	1.9
163.03882	2.0
173.04488	5.3
173.05771	0.9
173.97495	0.8
175.03938	1.3
178.99782	1.0
179.03554	1.0
179.05505	1.7
186.05270	0.8
187.03926	1.1
187.09680	1.2
190.02693	1.4
191.05537	12.5
192.07520	0.8
193.04967	0.9
203.03345	1.0
205.05103	1.0
207.02933	2.5
208.03610	1.2
231.02782	0.9
243.02856	0.9
243.12430	1.5
271.02454	1.2
283.11890	1.1
287.01758	1.3
297.07645	3.9
309.07605	4.0
309.11002	1.1
312.10016	2.6
312.99759	1.2
315.01404	2.3
317.10291	1.2
324.10004	2.7
325.10901	1.0
325.14468	1.6
327.12369	15.4
328.12744	2.4
330.03842	2.5
331.00858	1.0
339.12375	12.4
340.12665	2.0
343.15558	2.1
355.11783	1.2
361.16364	1.0
369.13419	2.4
387.14615	2.2
399.20218	92.4
400.20615	9.6
428.61185	0.8
441.17645	2.7
463.18115	1.5
477.22836	1.3
495.32138	0.9
519.26154	1.1
535.11108	0.9
579.26605	42.7
580.27057	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	579.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30556	2.4
56.06310	2.9
57.03309	5.1
59.01250	100.0
71.01251	66.7
71.04883	6.0
71.34648	4.1
71.34984	3.8
72.99181	6.1
73.02821	15.3
83.01259	5.2
85.02834	23.7
87.00743	7.3
89.02316	59.6
93.03337	7.3
95.01272	3.3
96.95888	27.1
97.02815	3.0
101.02314	34.7
109.02782	3.4
113.02333	38.8
119.03384	20.8
121.07615	2.8
125.02370	4.5
131.03459	2.8
135.04379	3.3
137.02339	4.3
143.03334	2.7
144.02881	4.5
149.02382	4.6
149.04456	19.6
150.03082	5.0
151.00301	3.2
153.01917	3.1
161.04439	9.8
161.05739	3.6
165.05511	6.4
166.02580	3.7
173.04480	9.9
179.03311	3.6
179.05640	14.0
179.06943	3.7
179.14307	6.6
181.04942	3.5
187.03813	2.9
191.05540	22.6
191.07025	3.9
195.06555	2.7
223.06125	3.5
223.13329	11.2
267.12396	15.2
276.66104	3.0
285.56143	2.4
327.12518	2.9
399.14496	10.4
417.15491	3.2
447.18155	17.1
475.22021	22.5
493.23273	13.0
537.25061	3.0
579.24127	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	579.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	1.9
57.03326	9.0
58.00456	3.9
59.01251	80.5
60.01582	2.4
60.99160	1.3
61.01663	1.2
69.03310	1.3
69.27599	8.3
69.28014	2.0
71.01250	36.7
71.04890	36.6
72.01572	1.8
72.05205	1.2
72.99169	3.5
73.02829	5.9
74.76187	0.8
75.00754	1.1
75.67987	0.9
81.44573	0.9
83.01248	2.4
83.04893	1.8
85.02811	8.7
87.00751	2.0
89.02316	35.7
90.02634	1.3
93.03340	1.2
95.01263	4.4
96.95905	6.6
97.06460	4.1
99.00751	1.2
101.02317	19.9
109.06457	4.3
111.04355	1.1
111.08054	7.1
113.02340	14.1
114.02616	1.1
119.03383	13.8
131.03386	1.4
135.04433	1.2
143.03391	2.6
143.05707	0.9
149.04474	11.1
150.03064	1.4
151.11151	3.0
161.04466	3.0
163.11183	2.6
165.05426	1.1
172.05301	1.1
173.04465	1.2
177.12820	1.5
179.05536	3.6
179.14336	43.2
180.14626	2.6
181.12334	1.0
191.05519	2.8
195.06593	1.0
205.12358	1.2
223.13342	49.3
224.13657	1.3
267.12369	82.2
268.12741	4.7
271.02484	1.2
285.13498	1.2
300.02676	3.3
327.11829	1.0
339.12531	1.0
399.16663	1.9
447.18695	100.0
448.19083	9.8
463.08929	4.0
475.21814	3.0
493.22864	3.3
519.27411	1.8
537.27960	1.6
579.22949	42.3
580.22723	5.5
604.13037	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47158	0.5
55.96198	0.5
58.00495	0.5
59.01246	9.2
65.00194	0.5
67.01777	0.7
68.99711	0.7
69.79263	1.1
69.79655	1.6
71.01250	7.1
73.02811	2.5
81.03313	0.9
83.01263	1.1
85.02809	3.3
87.00756	1.0
89.02316	4.2
93.03349	1.4
95.01258	0.9
96.95877	1.1
98.20507	1.0
98.70323	0.6
101.02332	3.9
107.04910	0.5
109.02851	2.6
111.00716	0.7
113.02341	3.2
119.03370	1.0
119.04870	1.2
121.02823	0.8
123.00739	3.0
123.04390	1.6
125.02324	1.5
134.03600	0.9
135.04413	1.1
137.02339	9.6
138.02769	0.5
139.03841	0.8
143.03351	0.7
147.00838	0.5
149.02336	2.0
149.04431	0.8
150.03114	1.1
151.00267	20.9
151.03923	1.5
152.01068	2.4
152.04681	1.7
159.04457	0.5
161.02367	1.2
161.04465	1.5
163.03922	1.6
164.04646	1.1
165.01794	0.8
166.02618	58.6
167.03282	4.1
173.04433	1.1
175.03909	0.8
176.04675	0.9
177.01837	3.6
179.03400	1.2
180.04059	0.7
181.04973	72.1
182.05360	2.5
184.03677	0.7
185.06038	0.5
189.05501	0.6
190.02650	1.4
190.06259	1.2
191.03563	0.8
191.05507	3.2
192.04213	0.9
193.04915	1.3
195.02905	0.6
196.05222	1.0
205.05013	1.9
205.08691	1.5
207.02933	1.6
207.06599	1.3
209.04529	0.8
212.62856	0.5
223.06007	0.6
255.14162	0.5
267.12399	1.0
271.06128	1.4
314.07864	0.6
324.06433	0.6
325.14362	1.1
341.13721	0.5
343.15067	1.0
355.95016	0.6
359.11423	1.6
361.16663	1.6
383.59988	0.6
387.10770	16.0
388.11154	1.6
399.20343	1.0
402.13251	6.3
403.13449	1.1
417.15527	100.0
418.15887	12.1
447.18738	0.9
493.22852	1.6
519.31183	0.5
535.23541	0.8
579.16083	3.0
579.30518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24488	0.5
59.01245	1.2
61.98702	100.0
69.32043	5.0
78.95806	1.5
96.95896	1.4
113.86520	0.5
154.78772	0.5
184.70857	0.5
227.20285	0.6
237.68283	0.5
253.09328	0.8
279.23355	3.4
280.23663	5.9
281.23914	4.3
282.24323	1.4
355.55893	0.6
494.76740	0.5
519.38031	0.6
605.77942	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37041	0.2
52.74121	0.2
59.01248	16.7
60.01577	0.3
69.42877	1.9
78.95770	6.0
79.95604	0.6
80.96387	2.3
83.81314	0.2
86.00642	0.2
90.51089	0.2
94.97949	0.4
122.97453	0.2
152.98500	0.2
152.99530	1.5
168.04239	1.6
191.83969	0.2
224.06873	0.9
225.00697	0.3
238.48024	0.2
242.07928	2.6
261.22150	0.4
279.23264	100.0
280.23618	9.4
331.07233	0.2
344.03473	0.2
364.15952	0.2
504.30942	27.8
505.31195	3.9
560.80042	0.3
578.27142	2.6
579.26984	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65322	0.2
59.01248	23.8
60.01585	0.3
61.98689	1.0
62.96288	0.4
70.19919	0.7
71.01237	0.7
73.02814	0.4
75.82931	0.2
78.53465	0.2
78.95773	23.8
78.98450	0.7
79.95609	0.6
80.96387	6.2
94.97962	1.6
95.81580	0.2
96.96832	0.5
97.02749	0.2
103.47944	0.2
106.98005	0.3
122.97440	0.4
125.02273	0.4
134.97467	0.4
134.98424	0.3
148.99034	0.6
152.98479	0.7
152.99480	3.5
160.59338	0.2
164.98526	1.3
168.04208	3.4
174.65555	0.2
177.75290	0.2
182.99522	0.3
194.05699	0.2
206.99541	0.3
224.06879	9.5
225.00705	1.7
242.07913	2.6
261.22189	0.5
262.22519	0.3
279.23270	100.0
280.23630	9.3
439.16663	0.2
504.30939	57.6
505.31250	8.3
579.19031	0.5
579.28424	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	579.1715
Annotation	Naringin chalcone
Peak:m/z	Relative Intensity
55.23354	0.5
57.03315	0.8
59.01248	4.9
63.02276	3.1
65.00195	15.8
69.03313	0.5
69.75149	2.2
71.01259	2.1
73.02832	0.6
77.80089	0.5
81.03338	2.2
83.01257	8.1
83.01709	0.7
85.02830	1.0
87.00749	0.5
89.02331	0.8
93.03332	6.9
96.95894	0.9
101.02328	1.1
105.79478	0.5
107.01270	25.2
108.02079	1.4
108.71719	0.5
111.00816	0.5
113.02312	0.7
119.04915	49.0
120.05256	1.7
121.02844	1.1
123.04401	2.8
125.02335	5.1
125.52218	0.5
133.02847	0.6
136.01537	1.5
137.02327	1.1
143.04906	1.7
145.02852	5.5
149.02348	1.1
151.00272	100.0
152.00577	3.4
161.04553	0.8
161.05980	1.4
164.01048	1.9
165.01842	4.4
165.79109	0.5
166.02650	3.2
169.01317	2.2
175.00227	1.6
177.01842	8.1
181.04990	3.1
185.06073	2.7
187.03928	3.9
190.02673	1.0
191.05521	2.2
193.01352	2.0
193.04845	0.6
196.00043	1.1
203.07077	0.7
205.01329	1.2
205.04951	1.5
214.06197	0.5
227.07091	2.7
229.05159	0.5
235.02467	1.7
270.05280	0.9
271.06107	53.8
272.06479	3.9
295.04953	0.4
313.07254	2.8
325.14606	0.8
329.10535	0.5
339.07187	0.8
343.15631	0.7
361.16458	1.0
373.08966	1.2
387.10474	0.6
417.15613	3.9
459.11557	17.2
460.11920	1.4
519.31250	0.7
550.06061	0.5
579.17114	73.5
580.17493	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	577.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05717	1.2
59.01249	11.4
59.11758	1.4
69.06657	1.3
70.87385	2.2
70.87754	2.4
71.01241	4.1
71.64055	1.1
78.95793	1.7
89.02311	3.1
101.02317	2.9
136.75931	1.3
144.53258	1.2
161.04456	1.9
183.08398	1.4
253.09319	12.0
277.21924	1.3
281.24850	100.0
282.25162	9.3
485.20114	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	53.8
59.21834	3.0
60.53674	3.1
61.24837	3.2
70.08354	8.1
70.08755	7.9
71.01257	4.1
78.95771	3.7
89.02292	8.2
91.03854	21.6
119.08096	3.4
152.99551	3.3
224.71419	3.2
253.09253	15.0
269.84558	3.2
281.24832	100.0
282.25241	8.3
307.30032	20.2
317.62930	3.4
348.34299	3.2
351.28955	12.5
369.30026	10.9
398.14792	3.9
415.39023	3.4
425.32730	13.6
443.33792	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	578.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	2.6
61.98701	100.0
62.04761	0.3
67.02224	0.3
69.32229	2.7
70.95445	0.3
71.01289	0.4
78.95798	0.9
80.96395	0.5
89.02344	0.6
96.62463	0.4
96.95879	2.4
98.20566	0.5
101.02324	0.5
127.53860	0.3
167.70921	0.3
172.72974	0.3
194.93610	0.4
228.89944	0.3
245.04308	0.4
253.09232	0.7
254.09470	0.6
255.09868	1.0
256.10022	0.4
260.90051	0.3
279.23294	6.1
280.23624	9.1
281.23889	5.7
282.24203	2.5
343.00833	0.3
386.12021	0.3
579.28516	1.1
600.15979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51089	0.2
55.01751	1.0
57.03321	2.0
58.00467	2.2
59.01249	100.0
60.01573	0.9
69.03321	0.5
71.01250	43.8
71.06698	0.4
72.01587	0.8
72.99176	2.4
73.02817	13.2
75.00742	1.6
83.01250	3.9
84.02055	0.2
85.02820	10.2
87.00751	3.3
87.79157	0.2
89.02314	36.2
90.02675	0.6
93.03329	0.3
95.01261	3.6
96.95879	0.4
97.02831	0.6
98.02393	0.2
99.00748	1.3
99.04389	0.8
101.02319	25.1
102.02637	0.2
105.01812	1.1
107.03422	0.2
113.02327	25.7
114.02654	0.7
117.69926	0.2
119.03387	14.9
120.03737	0.4
125.02323	1.3
126.02591	0.2
127.03882	0.2
128.94774	0.2
129.01793	0.4
131.03389	2.8
135.04388	0.3
138.05487	1.8
139.05794	0.6
139.58969	0.2
143.02335	0.4
143.03398	4.2
147.02818	0.4
149.04431	2.4
161.02368	0.4
161.04457	6.6
161.13245	0.7
162.04840	0.2
165.03957	5.6
173.04491	0.5
179.05530	7.1
180.05722	0.2
191.05553	1.3
205.12251	1.7
221.06589	0.2
249.11345	1.3
282.10065	0.2
351.28909	0.2
355.21106	0.6
384.08270	0.2
385.08173	0.3
429.17737	1.1
435.80881	0.2
475.21527	0.3
517.26508	18.2
518.26868	2.9
535.27582	13.6
536.21497	0.2
536.28076	2.1
577.20898	3.7
577.28674	1.4
578.21375	0.7
578.29327	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.8
57.03323	3.5
58.00459	4.2
59.01249	100.0
60.01587	0.8
61.98697	3.4
69.03324	2.5
69.96598	3.4
71.01252	62.4
71.04890	1.2
72.01595	0.8
72.89740	0.7
72.99167	7.5
73.02818	24.5
73.85100	0.7
75.00760	1.6
81.03331	1.4
83.01261	9.2
83.04909	2.7
83.35217	0.7
85.02818	22.7
85.99962	1.1
86.03178	0.9
87.00748	9.8
87.04408	2.9
89.02315	52.3
90.02660	0.9
93.03352	3.2
95.01283	3.2
96.95895	2.8
97.02820	4.4
97.06500	1.7
99.00734	3.6
99.04398	6.3
101.02319	59.4
102.02621	1.4
103.03891	13.3
107.04942	1.3
109.02831	1.5
109.06506	2.5
111.00770	0.8
111.04420	1.4
113.02327	21.3
115.03861	3.9
119.03390	19.0
119.04948	0.7
121.06509	0.9
123.00801	1.0
123.04395	1.4
124.01627	0.9
125.02341	6.7
125.05949	0.8
127.03938	1.3
131.03384	8.6
132.04471	1.8
133.02835	0.8
134.03595	0.8
134.05994	1.2
135.04408	2.0
136.01588	1.0
137.02357	3.6
138.03156	1.9
143.03406	10.7
145.04968	4.1
149.02528	0.9
149.04465	17.4
150.04831	1.0
151.03978	1.4
152.04707	1.1
153.05458	0.7
159.02917	2.1
159.11752	2.8
161.02374	1.1
161.04465	7.4
161.09662	0.9
163.06026	44.2
165.04115	0.8
165.05501	2.2
167.03552	1.0
167.07129	0.8
173.04475	3.8
175.03896	0.9
177.12852	2.7
179.03398	1.4
179.05569	6.9
179.07039	1.2
189.03999	0.8
190.02650	1.3
191.03784	0.8
191.05516	8.8
191.07117	1.0
191.14418	1.2
193.04901	0.9
203.05440	0.9
203.10670	3.4
205.05237	1.3
205.07086	13.1
221.11783	7.2
223.06216	0.9
247.08130	1.2
265.10925	21.2
266.11151	1.1
285.13290	1.1
289.09448	0.7
307.10355	1.6
311.14020	0.9
355.25150	0.8
358.14249	1.8
367.41699	0.8
371.20682	18.1
371.25000	1.1
372.21286	1.3
373.12888	2.5
373.16843	6.1
373.26147	1.5
374.16986	1.2
401.17990	1.2
432.54648	0.8
445.17081	19.2
446.17633	2.9
517.26257	56.2
518.26770	8.6
535.30243	1.1
545.17926	2.0
577.21448	14.3
577.32086	7.6
578.21570	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	577.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98914	0.9
57.03309	2.2
57.78893	0.8
58.00454	0.9
58.42105	0.8
59.01249	16.6
59.08852	0.8
61.98716	2.3
69.03361	1.0
69.24589	2.0
69.24917	10.8
71.01260	4.8
71.55796	0.8
73.02818	4.2
78.95752	1.3
83.01268	1.5
85.02820	2.5
87.00739	2.3
89.02313	3.1
93.03319	2.6
96.95891	3.1
97.06419	1.1
98.20579	2.2
101.02333	3.0
105.07311	1.0
113.02331	1.7
118.28273	0.9
125.09617	3.5
127.11118	1.7
149.04520	1.3
155.10646	1.1
157.12225	2.1
171.10147	6.4
173.04507	3.8
185.11783	4.4
191.05540	4.8
199.13409	1.1
237.30367	1.3
261.52594	0.9
311.22357	2.6
329.23309	100.0
330.23590	9.7
343.24899	2.2
355.24747	1.7
371.24667	2.2
373.25906	3.0
517.30682	1.6
533.29431	2.6
577.32208	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18394	0.5
59.01245	1.3
59.58968	0.5
61.45390	0.4
63.96101	1.2
69.03317	0.7
69.41283	4.2
71.01246	7.2
72.66694	0.4
73.02813	2.3
78.76597	0.5
78.98454	6.7
79.95602	11.0
80.96387	73.6
81.03325	1.3
85.02830	2.2
87.00741	2.6
94.97367	1.0
94.97958	16.2
95.01279	0.6
96.95847	1.1
97.02806	1.5
99.45506	0.5
101.02291	2.4
106.97961	3.6
113.02320	0.5
122.54626	0.5
122.97468	4.5
125.02323	2.3
127.03883	1.2
134.97473	5.1
136.99037	1.3
148.99052	6.6
151.32587	0.5
152.98546	7.0
164.98532	11.6
167.00035	0.5
182.99600	1.9
191.47548	0.5
206.99721	3.1
225.00690	15.5
243.01715	1.7
277.21799	2.6
299.04391	2.2
372.84564	0.6
577.26837	100.0
578.27277	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	577.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23027	0.3
55.01756	1.4
56.25536	0.3
57.03326	1.1
58.00463	1.8
59.01249	100.0
60.01579	0.8
69.03326	0.9
69.57310	1.5
69.57742	0.6
71.01250	45.5
72.01615	0.3
72.99175	3.1
73.02816	17.5
75.00736	1.5
81.03304	0.4
83.01257	5.6
83.59904	0.3
85.02820	11.8
86.03142	0.4
87.00748	2.9
89.02315	30.8
90.02617	0.6
93.03317	0.8
95.01260	3.9
96.93352	0.2
96.95876	1.0
97.02805	0.7
99.00748	1.4
99.04358	0.3
101.02320	25.4
102.02676	0.4
102.38831	0.3
113.02327	29.4
114.02664	0.8
115.03852	0.3
119.03384	12.6
120.03709	0.3
125.02351	1.4
129.01794	0.4
131.03392	2.5
133.02849	0.5
134.99205	0.3
135.04364	1.0
143.02357	0.3
143.03392	4.2
146.99301	0.3
149.02409	0.4
149.04463	2.4
155.03325	0.7
159.57625	0.3
161.04465	8.2
161.13203	0.3
162.04619	0.3
163.04097	0.3
165.03983	3.6
173.04494	1.7
179.05525	6.3
187.00250	0.3
191.03973	0.3
191.05540	3.5
192.05940	0.3
203.05347	0.3
205.12181	0.8
221.06528	0.4
223.05945	0.3
249.11090	0.7
342.52313	0.3
353.13568	0.4
355.20923	1.1
373.22049	0.3
397.39777	0.3
429.17746	1.4
445.20703	0.3
459.98843	0.3
475.21143	0.6
517.26483	27.2
518.26855	4.7
535.27600	19.3
535.35132	0.7
536.27905	3.1
545.16766	0.8
577.21008	1.8
577.29303	1.4
577.77814	0.3
578.20575	0.4
578.28699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98697	1.7
55.01751	2.9
57.03315	3.7
57.55471	1.2
58.00475	2.4
59.01250	100.0
60.01571	1.8
67.01756	1.5
69.03316	3.2
71.01257	58.7
71.58958	2.7
72.99183	6.8
73.02820	9.0
75.00740	12.3
79.05386	2.4
81.03320	1.9
83.01254	4.6
83.04897	4.2
85.02815	15.7
86.21928	1.4
87.00764	7.4
89.02316	59.4
91.73821	1.4
93.03321	4.6
93.68170	1.5
95.01238	3.5
95.04882	2.2
96.95879	5.1
97.02831	6.9
97.06503	2.8
99.00726	2.2
99.04381	14.7
101.02319	30.7
107.04897	2.8
109.06447	3.4
113.02328	25.8
118.08920	1.3
119.03400	19.1
121.02808	1.7
123.00808	1.5
123.04416	3.0
123.08051	4.6
125.02307	3.1
125.05955	2.3
131.03380	5.4
134.03625	1.5
135.04398	3.4
137.02359	2.0
143.03381	3.1
149.04463	43.6
151.11189	1.5
159.11678	5.4
161.02367	1.6
161.04475	6.3
161.09595	1.5
161.13229	1.9
165.03970	7.7
167.07016	6.2
173.04468	6.2
173.76825	1.7
177.12711	7.0
179.03384	1.6
179.05498	11.5
191.04001	1.3
191.05553	11.7
192.05914	1.9
193.06068	1.4
193.12244	1.6
203.10690	4.4
205.12280	6.8
221.06615	2.7
221.11804	17.4
223.13290	2.3
249.11296	6.2
253.19153	1.8
265.10815	43.2
266.11148	2.9
269.04556	2.9
282.05200	1.7
283.05057	2.5
285.44696	1.8
347.13861	2.5
383.07660	3.5
384.08023	5.4
385.08286	9.1
401.18036	2.1
429.17676	5.6
445.17029	32.2
446.17419	4.2
517.29718	1.7
535.27649	6.4
577.21204	39.2
577.29108	6.6
578.21545	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	577.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	100.0
59.56607	7.0
59.67566	5.6
66.71938	6.0
70.35956	5.7
71.01257	10.6
71.57748	9.9
73.02776	8.2
75.84496	6.0
76.27525	5.8
78.33131	6.2
94.97253	6.8
96.95888	12.3
117.55041	5.8
126.68384	6.5
149.56885	6.0
168.10243	10.2
180.40738	6.7
191.05551	12.6
213.12303	10.2
221.54529	7.2
231.13449	16.6
259.08163	11.1
268.32983	6.9
329.27917	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	577.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	39.6
60.01583	0.4
60.99178	0.3
61.98706	0.4
85.02824	0.3
87.13074	0.2
89.41651	0.2
93.03311	0.6
98.19745	0.4
99.47503	0.2
106.04116	1.2
107.04926	0.9
108.02078	0.5
132.02071	0.3
133.02850	0.5
134.03651	0.5
135.04408	0.3
138.03198	0.2
142.52966	0.2
145.02849	0.3
147.04428	0.2
147.08037	2.0
149.05975	50.5
150.06328	2.5
150.07469	0.3
160.01573	0.3
161.02356	3.4
162.03140	2.1
163.07579	0.3
173.04433	0.8
174.99345	0.2
175.03914	0.9
176.04665	2.1
177.01881	0.5
177.05484	6.2
178.02589	0.4
178.05890	0.3
191.05589	0.4
191.07080	1.7
193.04953	0.7
209.08121	100.0
210.08450	5.4
223.09708	6.2
224.10088	0.4
225.20172	0.2
229.70572	0.2
250.42368	0.2
325.10806	0.3
336.08008	0.2
338.07999	0.6
353.10297	2.0
367.11572	0.5
385.12930	0.9
415.15262	0.2
427.13745	0.4
480.25253	0.2
577.20923	3.1
577.29822	0.5
578.21124	0.5
588.46887	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	576.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	20.7
60.01595	0.3
61.98692	0.1
71.01274	0.3
71.29606	0.2
72.66949	0.1
78.95773	7.3
83.04854	0.2
96.96848	0.1
104.14255	0.1
104.25847	0.1
106.26273	0.1
120.12574	0.1
121.61179	0.1
127.07566	0.3
131.36475	0.1
143.53693	0.1
146.59370	0.1
152.99472	1.7
168.04216	1.8
176.43188	0.1
186.77666	0.1
224.06859	0.9
233.22714	0.5
242.07941	3.5
259.20706	0.6
275.20087	0.5
277.21698	100.0
278.22043	9.1
454.26755	0.1
502.29385	31.6
503.29715	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	576.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00140	0.4
58.03551	0.4
59.01250	28.7
63.96120	0.7
70.03191	1.9
70.40878	0.4
71.01237	2.2
73.02817	0.6
74.06930	0.4
78.95774	28.2
78.98457	1.5
79.95607	1.9
80.96388	16.9
80.96814	0.2
80.96891	0.4
83.04871	0.4
85.02813	0.7
87.00719	0.8
87.69799	0.4
91.25986	0.4
94.97959	3.7
98.20450	0.5
101.02325	1.0
106.97937	1.1
122.97455	1.2
122.98347	0.7
125.02338	0.9
134.97444	1.1
148.99063	1.5
152.98482	1.0
152.99487	3.1
164.98541	3.2
168.04227	4.5
182.99586	0.7
206.99599	0.7
224.06863	11.8
224.56386	0.4
225.00690	5.0
242.04405	0.4
242.07889	3.0
259.20673	0.9
275.20013	0.5
277.21701	100.0
278.22034	9.0
502.29382	71.6
503.29758	10.6
577.26831	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	577.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01722	0.2
57.03319	9.0
59.01249	5.2
61.98702	0.4
63.02255	0.6
65.00194	1.0
68.94796	0.2
71.01251	2.8
71.04912	0.2
71.22213	0.5
73.02806	1.0
75.00771	0.2
81.03327	2.1
83.01251	4.8
85.02827	0.9
87.00736	0.5
89.02299	0.7
93.03341	0.7
95.01311	0.3
95.04900	0.5
96.95893	0.9
97.02843	1.4
99.00739	0.3
99.04392	0.3
101.02311	1.5
105.03375	0.4
107.01250	1.6
108.02075	0.2
109.02851	0.5
111.04400	0.4
113.02325	0.7
118.89561	0.2
119.01275	0.2
121.02827	1.0
123.00761	0.3
123.04412	3.6
124.01523	0.6
125.02331	100.0
126.02681	2.7
126.90401	0.5
133.02863	0.2
135.04402	0.6
137.02310	0.6
138.03098	0.3
139.03899	3.3
146.02681	0.2
147.00731	0.2
147.04457	0.4
149.02336	11.1
149.47360	0.2
150.02815	0.4
151.00264	2.1
151.03874	0.4
161.02229	0.3
163.03912	0.6
164.04739	1.5
165.01884	0.5
165.05460	0.4
167.03398	14.1
168.03773	0.7
169.01320	0.5
171.10239	0.3
173.04448	1.1
175.00276	2.3
176.01071	0.8
179.03467	1.0
179.06976	0.3
181.05009	0.6
190.02631	6.1
191.03436	8.5
191.05486	1.0
192.03824	0.6
193.01390	0.2
200.92738	0.2
205.05003	6.3
206.05580	0.5
208.03687	0.3
209.04483	19.5
210.04898	1.0
215.12782	0.3
221.08168	0.3
223.06039	2.5
233.04494	3.7
234.04890	0.2
251.05650	1.5
265.07184	0.6
267.64719	0.2
273.31241	0.2
299.01877	0.6
307.79398	0.2
325.09225	1.6
329.06531	0.4
352.07928	0.2
353.08640	1.1
355.24976	0.7
367.10330	4.1
368.10495	0.3
373.16638	0.5
373.25946	2.5
415.16064	0.3
460.90079	0.2
473.27249	0.4
488.13211	0.3
493.13510	7.0
494.13864	0.9
517.29657	0.9
531.33264	0.2
533.29443	0.4
535.14655	2.9
535.31232	0.8
536.14734	0.5
559.14447	0.6
576.31268	0.6
577.15594	6.2
577.32172	5.4
578.16028	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01223	2.4
69.03325	12.0
70.60673	4.3
71.01241	1.7
90.52552	1.4
97.06454	2.9
103.19950	1.5
123.08034	2.0
125.09584	4.7
133.34454	1.5
149.09579	2.6
151.11156	6.3
153.12785	2.3
161.09610	12.2
179.10681	39.6
180.11006	2.3
197.11755	100.0
198.12044	5.8
209.06876	1.4
223.09653	6.5
241.10782	16.4
277.21701	75.0
278.22037	5.9
297.13431	12.1
310.49533	1.5
315.14520	22.4
316.14767	1.8
328.99243	1.5
530.29242	1.5
575.35822	75.4
576.36005	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	576.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01889	0.2
59.01250	3.1
60.01582	0.7
61.01670	0.3
61.98701	100.0
71.01250	0.3
89.02317	0.4
90.75533	0.2
98.20541	0.7
101.02335	0.3
177.75237	0.2
227.58174	0.2
229.60658	0.3
253.09439	0.8
254.09703	0.8
255.09793	1.1
256.10065	0.3
277.21683	4.9
277.24417	0.4
278.22061	8.7
279.22330	5.1
280.22656	2.9
342.22034	0.3
421.61261	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.9
60.01581	0.1
61.01673	0.3
61.98700	100.0
62.98400	0.2
69.29857	1.7
71.01262	0.5
89.02332	0.3
89.60796	0.1
94.40902	0.1
101.02334	0.3
113.02332	0.2
124.36370	0.2
171.25609	0.2
231.97096	0.1
253.09279	0.7
254.09564	0.7
255.09599	0.9
256.10098	0.3
277.21695	3.7
278.22067	6.6
279.22305	4.0
280.22589	2.3
465.15756	0.2
508.30624	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44831	0.4
51.06308	0.4
55.01761	1.2
56.20330	0.4
57.03327	1.8
58.00461	0.8
59.01250	100.0
60.01584	1.5
60.99185	1.1
61.98706	0.6
69.03330	0.9
71.01254	13.2
71.04867	0.5
71.58040	0.7
71.58432	0.5
72.99198	1.1
73.02832	3.9
74.82135	0.4
75.00750	0.6
77.51236	0.4
78.95780	1.2
79.20688	0.4
81.03356	0.7
82.14331	0.4
83.01255	4.2
83.04925	0.5
85.02820	7.8
85.99990	0.6
87.00764	2.0
87.04394	2.9
88.98666	3.0
89.02334	1.8
93.03357	0.8
95.01273	1.9
96.95919	2.2
97.02837	0.9
99.00734	2.3
101.02319	5.9
102.56404	0.4
103.77599	0.5
111.00797	0.9
112.01563	1.3
113.02337	5.5
115.32601	0.4
119.03410	0.5
123.04369	0.8
124.01520	0.8
125.02323	2.1
126.31930	0.4
126.84574	0.4
129.01801	0.5
141.12779	1.4
143.03412	1.2
148.90944	0.8
152.99463	1.5
153.12782	1.7
157.12247	0.6
161.04469	1.7
167.03409	3.4
167.14265	0.6
169.12270	1.4
171.13849	2.3
173.04521	1.8
183.13832	0.7
185.11832	1.2
191.03928	0.4
191.05556	3.0
201.14931	1.7
281.20041	0.4
311.22336	1.7
325.27673	1.1
327.28970	0.8
371.24268	4.1
371.28094	6.6
372.24506	0.7
372.28635	0.6
413.25055	0.5
434.16013	0.5
467.30124	0.8
485.31284	1.4
489.13406	1.8
497.31171	0.4
515.32233	91.8
516.32581	14.2
533.33276	24.1
534.33606	3.0
575.35193	2.6
576.28955	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57239	0.2
55.01757	1.0
57.03316	1.4
58.00469	2.2
59.01246	100.0
60.01574	0.9
69.03311	0.6
71.01248	44.5
72.01582	0.6
72.87520	0.2
72.99170	2.2
73.02814	9.6
75.00740	0.3
80.23761	0.2
83.01261	3.6
84.02042	0.3
85.02814	11.6
86.03199	0.2
87.00747	3.2
89.02311	40.2
90.02645	0.5
93.03349	0.5
95.01257	3.8
95.93777	0.2
96.95907	0.3
97.02835	0.7
98.19291	0.2
98.20486	0.5
99.00754	1.6
100.71693	0.3
101.02314	27.4
102.02657	0.5
105.03308	0.5
111.04374	0.3
112.01553	0.3
113.02322	35.8
114.02658	0.6
119.03383	19.1
120.03687	0.3
124.01562	0.3
125.02316	1.0
131.03381	3.1
133.02834	2.9
134.03549	0.7
135.04372	1.1
137.02347	0.5
139.00183	0.3
139.03923	0.3
143.03386	5.7
149.02380	0.4
149.04449	2.6
155.03381	0.6
156.24646	0.2
159.02898	0.2
161.04453	12.8
162.04828	0.5
164.04660	0.4
173.04456	1.1
177.01836	2.3
178.02606	1.6
179.03453	0.7
179.05519	12.8
179.06969	0.8
180.05824	0.4
191.05510	1.7
192.61848	0.2
201.72946	0.2
353.08554	0.5
353.19492	0.3
357.09653	2.2
358.10123	0.4
383.07498	0.3
460.79575	0.2
468.31586	0.3
515.24915	10.4
516.25177	1.5
531.14911	0.3
533.25995	7.3
534.26288	1.1
575.26251	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.1
58.00459	3.2
59.01248	100.0
60.01598	1.1
69.03331	1.9
71.01250	30.8
71.57759	1.6
72.01580	0.8
72.99184	5.9
73.02816	37.5
75.00763	0.8
83.01272	1.5
85.02823	15.7
85.99978	1.5
87.00742	9.2
87.04405	3.3
87.04926	0.5
89.02314	28.6
91.01698	0.8
93.03350	1.7
96.95911	0.8
97.00964	0.6
97.02834	1.1
99.00761	1.1
99.04367	1.2
99.12390	0.6
101.02318	63.4
102.02663	1.2
103.03885	25.8
107.81155	0.7
109.02807	2.0
113.02319	3.6
115.03872	6.6
119.03384	13.6
125.02339	3.0
127.03940	3.2
131.03395	9.1
133.04971	0.8
135.04424	0.7
137.09608	2.7
137.22989	0.6
143.03383	13.1
145.02890	1.2
145.04971	7.3
146.03615	2.5
147.04434	6.1
161.04436	1.1
163.06023	96.2
164.06352	2.7
173.02286	1.1
191.05527	18.7
201.23326	0.7
205.07101	21.3
225.05472	1.1
229.01369	4.1
235.08148	1.2
237.05525	0.8
244.00038	1.0
253.05103	2.7
263.03448	1.0
264.04086	1.2
265.04965	2.1
265.09250	5.4
279.06519	1.2
279.41705	0.7
281.04556	13.4
282.05215	3.1
283.06024	1.3
291.02982	0.7
293.04669	1.3
295.10251	0.7
296.06900	7.3
297.07574	3.5
307.10138	1.0
309.03998	2.7
311.09311	4.9
313.10825	1.5
323.05573	0.7
324.06290	2.3
325.11313	1.0
339.08743	3.7
353.03152	1.1
368.05283	1.3
383.07712	50.2
384.08060	5.0
402.50348	0.7
428.93674	0.7
604.33752	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23016	0.2
55.01759	0.9
57.03318	1.3
58.00466	3.2
59.01248	100.0
60.01577	1.2
67.01729	0.3
68.99669	0.2
69.03338	1.2
70.24368	0.8
70.24710	0.2
71.01250	64.2
72.01596	0.9
72.99178	4.6
73.02816	21.9
74.03162	0.2
75.00752	0.7
78.95799	0.3
81.03331	0.3
83.01257	7.2
85.02819	13.0
87.00748	3.2
89.02313	53.3
90.02664	0.7
93.03346	0.6
95.00701	0.4
95.01259	4.3
96.95885	0.8
97.02829	0.8
98.19855	0.3
99.00736	0.7
99.04391	0.4
101.02318	41.8
102.02667	0.7
107.03397	0.2
111.04430	0.3
113.02325	31.0
114.02648	0.8
119.03385	18.8
120.03703	0.3
125.02316	1.6
131.03387	4.8
133.02832	0.8
134.03568	0.2
135.04416	0.3
137.02310	0.5
139.00301	0.2
143.03398	4.8
147.02876	0.2
147.04427	0.4
148.48050	0.2
149.02473	0.2
149.04459	4.6
155.03371	0.8
161.04459	8.5
162.04805	0.3
173.04404	0.9
177.01805	0.4
178.02533	0.2
179.03256	0.5
179.05525	7.6
180.05832	0.3
183.84056	0.2
191.05527	4.1
200.43054	0.2
203.05411	0.2
209.40292	0.2
221.06581	0.8
271.02487	0.2
281.04510	0.5
283.06274	0.3
296.07040	0.3
309.04077	0.4
339.08652	0.7
343.54169	0.2
357.09802	0.3
383.07672	1.9
384.07397	0.3
515.28333	0.2
523.71893	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.9
67.01743	0.3
69.03322	0.3
71.01261	1.5
71.28528	0.4
73.02786	0.3
85.02829	3.9
87.00763	1.0
89.02302	1.3
93.03340	3.0
96.95892	2.5
96.96864	0.3
98.70610	0.3
101.02312	1.1
106.52811	0.2
109.02837	1.5
111.04415	0.6
113.02328	0.8
119.03399	0.6
119.04864	0.3
121.02789	0.2
125.02369	0.4
127.03893	0.7
129.03354	0.9
133.02844	1.1
135.04387	0.8
137.02322	0.7
145.02829	2.0
145.63243	0.3
146.03629	4.2
147.04425	9.9
148.04770	0.5
149.04318	0.3
155.03395	0.5
157.02858	0.7
159.04437	0.7
161.02335	1.3
162.03099	0.8
171.02890	0.4
173.02319	0.8
173.04477	4.8
174.03069	0.4
174.04713	0.3
175.03946	0.8
176.04617	0.6
177.01842	0.6
177.80345	0.3
178.02644	0.4
179.05692	0.3
181.06554	0.4
185.02353	0.6
189.05528	0.6
191.05542	26.4
192.05884	1.0
196.32251	0.3
197.05977	0.5
209.06027	1.3
214.99881	0.5
225.05511	2.0
228.00639	0.8
229.01387	8.8
230.01717	0.7
235.04019	0.9
237.05540	1.9
239.03476	0.8
244.00133	1.7
253.05029	4.8
254.05562	0.6
255.02913	0.6
259.02313	0.4
263.03470	2.6
263.63138	0.3
264.04218	1.5
265.05026	3.4
266.05698	0.4
267.03058	0.3
267.06555	0.4
269.04449	0.7
270.05359	0.7
279.06677	1.2
280.03793	1.2
280.07196	0.7
281.04550	26.4
282.05109	4.0
283.06076	1.2
291.03021	0.8
292.03717	1.0
293.04602	2.6
295.02948	0.3
295.06131	1.2
296.06891	13.5
297.07544	4.7
298.08310	1.1
306.05276	0.3
307.06110	0.8
308.03217	0.6
309.04025	5.9
310.04474	0.7
311.09250	10.6
312.09586	1.1
313.10818	2.3
323.05618	1.0
324.06363	4.3
325.06760	0.6
329.10297	0.7
335.01987	0.4
339.08728	8.9
340.08969	0.7
352.05658	0.4
353.02945	1.0
355.08035	0.5
357.09943	1.8
367.04688	0.4
368.05280	2.1
383.07709	100.0
384.08081	10.7
401.08878	0.7
420.10568	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.4
57.82810	0.3
58.00462	0.8
59.01248	13.3
63.60538	0.4
67.01738	0.4
70.98457	0.5
70.98779	0.6
71.01249	5.2
72.99166	1.4
73.02823	4.0
83.01242	0.5
85.02823	9.1
87.00751	2.9
89.02306	4.4
93.03338	3.3
96.95912	0.7
99.00777	0.4
101.02322	6.9
103.03893	3.2
103.82962	0.3
109.02838	1.6
111.04408	0.5
113.02335	1.9
115.03886	0.7
119.03383	1.6
119.04876	0.4
121.02847	0.6
125.02338	0.7
126.15093	0.4
127.03895	1.6
131.03375	1.2
133.43967	0.3
134.95842	0.3
135.04361	0.4
137.02313	0.8
138.77646	0.3
143.03358	1.6
145.02835	1.1
145.04944	0.8
146.03596	1.7
147.04411	2.6
149.04405	0.6
157.02884	1.0
161.02403	0.8
163.06017	8.0
173.02425	0.5
173.04445	1.8
175.03937	0.7
179.05583	0.8
181.06538	0.5
185.02348	1.0
191.05534	42.5
192.05869	1.5
197.05951	0.6
205.07100	1.8
209.06013	1.4
221.06502	0.7
225.05447	2.8
228.00636	0.9
228.97859	0.4
229.01382	9.1
230.01923	0.7
231.97647	0.4
232.03146	0.4
235.03938	1.3
236.04732	0.5
237.05531	2.7
239.03432	0.5
242.99321	0.5
244.00107	1.7
253.04996	5.1
254.05392	0.5
259.02328	0.5
263.03394	3.3
264.04312	2.3
265.05048	3.8
265.09302	0.5
269.04510	0.9
270.05402	0.7
278.05685	0.5
279.06570	1.1
280.03830	1.0
280.07257	0.8
281.04529	26.6
282.05173	4.3
283.06152	0.8
291.02972	0.7
292.03754	1.1
293.04572	3.3
295.06085	1.2
296.06876	14.3
297.07559	4.8
298.08072	0.5
306.05225	0.4
307.06107	0.7
308.03415	0.4
309.04071	5.8
311.09247	12.1
312.09595	1.1
313.10764	0.9
323.05460	1.0
324.06311	4.7
325.06848	0.5
329.10373	0.7
338.07803	0.4
339.08731	9.2
340.09286	1.2
353.02930	0.8
357.09930	0.8
361.16391	0.9
366.89984	0.4
367.04123	0.4
368.05331	2.1
383.07690	100.0
384.08011	9.6
384.12549	0.7
401.08737	0.5
424.63913	0.4
441.17755	0.4
515.29016	0.6
522.77185	0.4
575.13574	0.6
575.29089	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89820	0.7
57.03315	1.4
59.01252	27.2
61.58607	0.6
69.03313	1.1
71.01257	16.0
71.04890	0.6
71.06666	1.4
71.76113	0.9
72.99158	1.6
73.02818	5.0
75.00691	0.6
76.50157	0.7
77.86985	0.6
78.95746	1.0
83.01250	2.4
83.04872	1.2
85.02825	12.0
87.00748	3.0
89.02316	8.4
93.03349	7.4
95.01241	1.8
96.95889	11.2
99.00727	1.1
99.04373	0.9
101.02322	8.6
105.03342	1.3
109.02840	2.7
111.04420	2.7
113.02322	6.3
114.52331	0.7
115.11447	0.6
119.03400	3.7
121.02783	1.0
123.00721	0.8
125.02329	2.3
127.03914	1.9
129.03276	1.2
131.03337	1.5
133.02835	8.5
135.04413	5.0
137.02319	2.0
143.03354	1.4
145.02847	3.7
145.04907	0.6
146.03644	4.9
147.04422	15.3
149.02319	1.7
149.04515	1.2
155.03387	2.7
157.02864	1.0
160.01416	1.1
161.02362	2.8
161.04465	3.0
162.03113	1.9
163.06020	1.2
173.02261	1.0
173.04472	9.8
174.03131	0.8
175.03967	1.5
176.04698	0.8
177.01855	2.9
178.02599	1.3
179.03430	4.2
179.05513	1.9
191.05539	59.9
192.05899	2.9
203.05481	1.6
205.04971	1.2
205.12358	1.1
208.03685	3.8
209.05960	1.0
211.04083	0.8
211.13280	2.4
213.98468	0.7
223.06088	1.8
225.05443	1.9
228.00659	1.0
229.01401	8.4
235.04019	1.5
237.05518	2.6
244.00162	1.6
249.11171	0.9
253.05023	4.4
253.09253	0.8
259.02628	0.8
263.03500	2.8
264.04333	1.2
265.05099	4.6
266.05548	1.1
279.06384	1.0
280.03662	1.1
281.04553	20.1
281.07355	0.7
282.05145	3.3
283.06070	1.2
291.03033	1.4
292.03876	0.9
293.04501	3.0
295.06134	1.3
296.06863	11.7
297.07715	4.9
298.08417	1.2
309.04034	6.5
311.09259	10.1
312.09879	1.0
313.10849	5.3
314.11093	0.7
324.06274	4.1
329.10519	0.8
337.03381	1.1
339.08664	8.1
353.02811	0.8
357.09753	2.3
358.09775	0.9
368.05286	2.4
383.07709	100.0
384.08105	10.7
401.08710	10.2
402.09091	1.6
429.17715	1.3
429.47900	0.7
443.23804	0.9
515.28326	2.2
533.29327	0.9
574.29639	1.0
575.13708	3.9
575.31439	4.7
576.14001	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70146	1.3
57.36454	1.3
59.01249	100.0
60.01569	2.2
61.37130	1.2
61.98677	3.5
63.52608	1.2
64.58203	1.4
67.96227	1.2
68.22976	1.2
70.64429	4.3
71.01247	16.3
72.99179	1.8
73.02815	8.8
77.82819	1.2
83.01250	3.0
85.02801	3.7
85.34403	1.4
87.00742	2.0
89.02316	9.6
90.28670	1.4
96.95879	4.7
101.02319	7.6
113.01553	1.7
113.02299	8.9
119.03406	3.8
135.04393	1.3
149.05933	2.5
161.04460	2.6
169.88379	1.3
209.08107	2.6
210.08447	2.0
280.63934	1.4
576.76538	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	569.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85022	0.3
59.01249	100.0
60.01584	1.2
69.54904	1.9
69.55330	0.6
70.15915	0.3
71.01268	0.6
73.02852	0.3
87.00745	0.3
98.20579	0.4
101.02324	0.8
139.22191	0.3
230.27069	0.4
342.67249	0.3
442.46796	0.4
509.30902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19513	0.8
57.03329	1.0
59.00946	1.3
59.01248	24.6
59.93438	0.7
65.75311	0.7
70.18366	0.6
71.01253	7.5
73.02812	1.9
83.01280	0.9
85.02814	1.3
87.00757	1.2
89.02309	4.3
96.95913	0.7
99.00803	0.9
99.11985	0.8
101.02315	6.2
113.02322	2.8
119.03407	1.8
129.06877	0.9
132.31841	0.7
159.16397	0.7
161.04472	2.4
170.31183	1.0
173.04472	1.0
174.27802	0.7
206.05028	0.8
217.00188	1.6
231.17589	1.4
232.97397	1.7
247.17036	1.1
253.09267	15.0
275.16510	100.0
276.16830	9.8
282.35022	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2886
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
56.60592	0.4
56.94327	0.5
57.28796	0.5
62.64884	0.4
70.35452	1.1
70.35851	0.9
74.42958	0.5
77.04948	0.5
78.95772	87.9
90.93195	0.6
96.96834	16.5
98.19939	0.6
147.70068	0.5
150.97929	1.0
152.99480	82.4
153.99692	0.8
171.00504	1.2
193.42981	0.6
196.24925	0.5
223.00032	2.4
241.01134	36.6
242.01552	1.0
242.89102	0.8
255.23248	86.0
256.23569	6.4
259.02145	0.8
315.04828	10.9
334.93817	0.8
351.20776	0.5
381.32336	0.6
391.22470	6.5
392.23193	0.6
409.23569	1.8
571.28845	100.0
572.29163	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	567.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84768	1.9
59.01248	100.0
62.97466	1.7
63.97181	2.0
71.01252	13.0
71.25353	1.6
72.99187	2.1
73.02817	2.8
75.00716	1.6
78.95748	2.4
80.91521	3.4
83.04951	1.8
85.02820	2.6
89.02300	6.4
96.95875	2.9
101.02312	7.2
105.95141	1.6
113.02311	6.0
119.03338	2.7
121.02840	2.3
136.01567	4.4
137.02304	2.1
141.00465	2.9
141.01585	52.1
141.02626	3.6
142.01953	2.7
149.02274	1.9
149.05945	8.2
151.00218	2.2
151.03867	7.4
153.01564	1.9
162.28253	1.5
166.02588	5.7
173.04428	2.3
181.04970	4.3
188.37383	1.8
191.05371	2.6
209.08110	11.2
210.08485	2.1
268.03616	2.3
269.04614	3.1
283.06070	7.0
297.07510	2.2
319.22665	3.2
324.46893	2.1
357.13354	7.1
387.14529	9.4
399.14517	1.9
421.20764	6.2
481.23633	6.9
513.59552	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
61.90231	2.4
61.98700	10.9
71.01246	16.3
71.58685	3.4
73.02834	4.3
78.95759	3.6
83.01278	3.3
85.02840	3.0
86.34203	2.7
89.02318	5.0
91.91441	2.2
96.95872	6.1
101.02350	5.3
113.02337	9.5
126.19867	2.6
141.01628	3.5
149.05959	8.1
155.95917	2.2
165.01874	4.0
173.04361	2.5
209.08081	13.5
401.15891	2.4
463.26965	4.9
481.28052	3.5
535.19714	2.9
558.29950	3.1
567.12579	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	565.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46524	0.4
52.92435	0.3
59.01225	0.5
71.20843	0.8
78.95776	13.7
96.96817	1.0
120.95307	0.4
136.94856	0.9
144.59166	0.4
152.99489	15.7
161.64748	0.3
167.18677	0.3
171.00545	1.4
188.19658	0.4
192.97513	1.1
227.03226	3.2
245.04317	1.6
249.00246	1.2
255.23264	100.0
256.23611	7.6
267.01294	1.6
359.18600	0.4
483.27286	49.4
484.27597	5.4
505.24060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41235	2.9
51.04679	2.9
55.70645	2.7
59.01247	100.0
65.39715	2.7
69.28150	9.2
69.28565	23.3
71.01255	5.4
78.91754	8.3
80.91556	11.7
82.95287	7.8
88.62069	2.8
94.97095	2.9
96.95896	6.0
116.98328	2.8
135.04387	3.7
146.03690	3.7
146.93802	6.8
149.05972	25.5
153.78947	2.7
157.70074	2.7
161.02318	5.4
161.05952	6.3
176.04732	4.1
179.03355	7.0
188.51492	2.9
194.05757	5.1
201.96112	9.0
203.95982	10.6
209.08134	89.1
210.08496	4.0
217.00256	5.3
293.21188	9.7
565.28070	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	565.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28414	0.5
55.01749	1.3
57.01655	0.7
57.03324	1.7
58.00472	1.1
59.01249	100.0
60.01578	1.6
61.98700	3.9
67.01762	0.8
67.10981	0.7
69.03331	2.6
69.46358	5.4
71.01249	22.1
72.99178	1.9
73.02821	5.0
75.00773	0.9
78.95780	1.2
81.03320	1.2
83.01254	3.9
83.04924	0.7
85.02824	8.1
87.00756	5.0
89.02294	4.1
91.03864	3.6
93.03342	3.2
95.01275	2.0
96.95904	2.6
97.02842	2.6
99.00773	1.5
99.92519	0.6
101.02316	9.2
106.09854	0.5
106.99123	0.6
109.02837	0.8
111.04415	0.7
113.02322	5.8
113.09599	1.1
117.92789	0.7
119.03378	1.3
121.02917	0.6
124.01557	2.9
125.02332	5.5
125.85573	0.6
133.02882	1.1
134.03648	1.4
135.04451	1.3
137.02354	1.1
141.01637	2.4
143.03450	1.7
145.06535	1.1
147.04434	4.0
149.02322	0.9
149.05975	1.6
160.01578	1.0
161.02377	1.0
161.04430	1.0
162.06953	0.6
169.84351	0.7
173.04475	5.1
173.05881	0.8
175.03944	0.8
177.01956	0.9
178.02589	2.1
179.03362	1.1
189.05528	1.5
191.03493	2.1
191.05600	7.8
192.05936	1.3
209.08159	0.8
211.13319	1.1
217.76888	0.5
253.09125	0.8
269.21167	5.9
275.09113	0.7
287.22260	33.9
288.22684	2.7
299.22351	1.2
301.24011	0.9
311.22400	0.8
315.21927	1.0
329.09836	0.8
329.17319	0.7
329.23297	4.7
330.23581	0.9
341.23422	0.7
345.17230	1.1
346.17645	1.1
347.17621	2.1
361.23792	1.8
373.16025	1.6
413.25424	8.0
431.26453	63.1
432.26859	6.5
449.27579	25.3
450.28232	2.6
461.30841	0.8
473.27554	16.5
473.33960	1.0
474.28189	2.4
491.28607	32.7
492.29037	4.3
505.33401	2.6
523.31909	1.0
535.11719	0.7
565.22351	1.9
565.32855	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07518	0.7
59.01252	13.6
68.83282	0.7
71.01244	9.5
71.57891	0.9
71.58295	1.2
72.99184	1.5
73.02811	4.0
74.71143	0.7
78.95744	0.7
83.01256	1.9
84.82439	0.8
85.02808	3.3
87.00757	5.2
88.00288	1.7
89.02325	3.7
93.03365	1.8
95.01245	0.9
96.95883	6.5
101.02328	5.5
109.02828	0.9
111.00805	0.8
113.02308	3.1
119.03385	1.2
122.05977	3.3
125.02338	1.6
132.04442	6.2
135.04381	1.8
136.01544	0.9
137.02298	2.1
139.07515	0.8
147.03102	1.8
149.02335	1.3
149.04436	1.7
150.05475	1.8
158.02370	2.8
160.03940	5.0
161.02388	1.1
161.04578	1.2
162.05481	2.2
165.05447	0.8
173.04492	3.6
174.05530	1.5
176.03461	4.4
176.07037	1.4
179.03311	1.8
183.09085	0.9
184.07632	1.1
186.09221	0.8
190.05006	12.9
191.05539	8.1
193.05081	1.0
197.04657	0.9
198.04240	2.7
204.03003	1.1
209.07066	1.2
210.09180	1.3
211.06693	0.9
211.08701	2.0
211.13374	1.0
212.05568	2.0
212.07321	1.5
212.10690	1.7
213.06563	1.8
215.11807	2.4
224.07214	1.8
224.09489	3.9
225.06610	2.4
226.07385	3.3
227.08130	5.8
228.08760	1.3
237.10258	1.6
238.08784	1.2
239.04422	1.1
239.08176	3.1
239.11855	14.2
240.10448	3.7
241.09790	7.4
250.07448	2.4
252.05357	3.2
253.06131	15.8
253.09792	2.7
254.03218	2.9
254.06805	1.5
255.07680	7.0
255.11427	4.3
256.08173	0.9
265.09842	5.3
266.08127	1.4
267.07715	10.1
268.08533	8.6
269.08966	1.2
271.06921	1.1
281.09277	10.5
282.09988	1.3
283.10858	56.3
284.11227	4.9
287.10303	4.2
291.07953	1.1
293.61761	0.8
299.10367	2.7
309.08774	24.8
310.09067	3.4
313.11786	1.6
315.13525	1.6
327.09854	21.1
328.10031	1.4
331.09290	1.1
341.11417	8.7
351.47122	0.8
353.07840	2.9
359.12424	1.6
371.08838	22.9
372.09006	2.6
385.10391	23.3
386.10651	1.8
401.13269	1.3
403.11349	35.0
404.11740	3.6
433.20706	9.1
445.12302	2.4
475.13739	1.0
505.14664	9.9
506.14948	1.7
533.14136	9.0
534.14020	1.0
565.16693	100.0
565.27356	4.2
566.17078	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	565.083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19698	0.8
59.01250	7.7
59.10618	0.7
65.00191	2.1
65.40674	0.7
71.01273	4.5
73.02821	2.3
78.93826	0.7
80.28935	0.7
83.01263	1.3
85.02837	2.1
89.02300	1.4
95.01283	1.7
96.00196	0.8
96.95895	3.7
99.00761	1.0
101.02333	3.2
107.01311	1.9
109.02837	1.9
109.99985	11.8
111.00792	4.4
113.02375	0.9
121.02788	0.9
123.00792	1.9
125.02338	1.8
133.02829	0.8
136.98636	1.8
137.99527	4.6
139.00259	14.1
149.02402	0.7
149.04483	0.7
151.00291	9.1
151.03871	0.9
152.01060	3.0
155.04852	1.0
157.02820	1.1
163.00351	1.2
164.01068	1.8
165.98985	15.6
166.99792	5.7
169.01367	1.0
173.04504	0.8
175.04002	1.5
178.99799	11.3
180.00436	1.2
183.04375	1.2
185.11797	1.1
188.04704	0.9
189.01970	0.8
191.05528	1.9
193.01430	0.9
193.98492	1.4
194.99287	2.3
198.03235	1.0
199.03954	3.0
201.01866	2.9
203.03439	1.7
206.99239	1.1
214.02734	1.5
215.03430	2.5
216.04076	1.3
226.02708	1.2
227.03415	4.5
231.03026	1.7
242.02135	2.8
243.02934	7.4
244.03632	2.1
245.04495	1.0
255.03041	3.6
259.02417	2.4
261.04245	1.2
270.01779	7.0
271.02460	44.9
272.03064	5.0
287.01974	20.8
288.02499	4.6
289.03510	0.9
298.01151	0.9
299.01950	32.2
300.02347	3.4
315.01273	1.6
316.02222	100.0
317.02936	38.0
318.03329	2.6
361.16309	1.0
389.18188	1.9
403.11465	0.9
414.83298	0.9
433.20694	2.1
479.08215	10.5
480.08456	0.9
521.09332	95.0
522.09692	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	565.0477
Annotation	UDP-D-glucose
Peak:m/z	Relative Intensity
53.80602	0.6
55.04859	0.7
67.92136	0.6
71.28606	1.6
78.95774	100.0
89.78938	0.6
96.96837	33.5
111.01875	8.3
120.96882	2.4
138.97919	3.3
150.97894	2.8
153.35484	0.6
156.10326	0.6
158.92455	13.7
174.97887	1.0
176.93535	1.1
192.98985	1.0
211.00038	3.5
241.01144	8.7
272.95718	4.1
280.02155	1.5
305.01782	0.9
320.97812	2.1
323.02826	69.9
324.03125	3.8
384.98358	5.8
402.99515	1.7
507.20462	0.7
565.04694	23.2
566.05493	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00193	1.2
55.01738	1.1
57.03320	1.7
59.01249	40.3
60.01580	2.1
61.01683	1.8
61.98699	15.1
65.00197	3.1
69.03321	1.7
70.01649	1.5
71.01253	29.0
71.58109	1.6
72.01575	2.3
72.99180	4.1
73.02819	9.3
74.02380	3.1
78.95748	1.1
83.01260	2.6
83.83288	1.2
85.02817	7.1
87.00745	4.0
89.02309	33.8
89.02823	2.0
90.02674	4.5
91.02762	3.7
93.03323	3.0
95.01270	3.1
95.31425	1.2
96.95889	23.8
99.00784	3.7
99.04385	2.1
101.02328	14.2
102.02646	2.0
103.02742	1.8
103.03850	1.5
107.01260	2.3
109.02863	2.8
109.99976	8.0
111.00777	5.2
111.04380	1.3
113.02346	8.4
114.02664	1.2
119.03396	8.6
120.03749	1.3
121.02886	1.5
121.03823	2.2
123.00774	4.7
124.01553	1.2
125.02352	3.4
128.80223	1.3
131.03413	3.8
133.02908	1.5
133.03842	1.2
134.03621	3.5
135.04358	1.3
136.01509	1.6
136.98669	2.4
137.02295	3.9
137.99472	4.2
139.00261	14.1
139.03825	1.3
143.03365	1.5
143.04733	1.3
148.01672	1.5
149.02425	1.5
149.04454	32.5
149.05693	1.1
150.04796	11.5
151.00301	10.2
151.03889	2.0
151.04916	12.8
152.01067	5.2
152.05197	3.3
153.05487	1.2
161.02341	2.9
161.04358	1.3
161.13188	1.7
162.13583	2.7
163.00349	1.8
164.01115	2.2
165.01788	1.7
165.99007	14.0
166.99806	7.9
167.10770	1.4
169.01315	1.9
173.04512	3.0
175.03877	1.8
176.04601	1.4
178.99753	15.1
179.05534	2.9
181.04858	2.0
187.03862	1.5
189.01823	1.5
191.05545	6.2
192.04189	2.1
192.05821	1.6
193.04939	1.9
193.98531	1.7
194.00861	1.6
194.99248	2.0
199.03954	3.9
201.01974	4.2
201.11269	1.5
203.03418	2.3
205.12337	5.5
206.12569	6.4
207.06654	2.8
207.12886	2.9
209.08057	1.7
214.02638	2.0
215.03436	2.0
227.03464	3.5
231.02792	1.8
242.02161	2.8
243.02997	6.7
244.03629	2.7
250.11673	3.8
251.12390	4.0
252.13091	2.2
255.02905	3.8
259.02426	4.6
270.01666	5.7
271.02466	48.3
272.03107	4.6
279.74008	1.5
287.01965	22.0
288.02429	3.8
298.01154	1.7
299.01923	40.6
300.02362	4.6
315.01495	3.5
316.02194	94.4
317.02917	37.1
388.19510	1.5
389.18045	6.5
403.13910	4.4
429.28290	1.3
430.17984	1.6
431.18497	3.1
432.18713	7.0
433.20502	8.0
459.26239	1.5
479.08191	7.7
505.26526	10.9
521.09308	100.0
521.25781	4.3
522.09869	12.4
535.17737	1.2
553.57794	1.5
564.22778	14.6
565.22266	6.1
565.30627	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	563.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33839	1.5
50.93806	1.4
59.01253	1.8
71.58549	3.2
77.91149	1.5
78.95773	52.2
94.26830	1.7
96.96803	3.7
136.94861	3.1
152.99487	65.9
171.00548	21.4
178.95944	2.4
210.98517	2.7
227.03264	5.0
245.04291	100.0
246.04643	2.6
253.21704	51.4
254.22112	4.7
267.01175	14.6
274.26144	1.6
310.63086	1.6
327.03476	4.5
481.25687	93.4
482.26126	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	563.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50951	0.6
59.01249	15.0
71.01255	3.5
71.58208	1.2
78.95788	3.6
80.54608	0.7
85.02784	0.9
89.02308	3.3
101.02301	3.9
113.02319	1.3
119.03414	0.7
152.99487	4.5
161.04367	0.7
171.10162	0.8
235.08168	2.2
245.04195	2.5
253.09258	13.6
253.21654	1.5
254.09528	0.9
267.23270	100.0
268.23596	10.2
279.23303	1.3
280.23480	1.7
281.24304	1.1
481.25812	4.9
482.26035	1.2
566.61493	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65548	0.5
55.01738	1.0
57.03297	0.7
58.00452	3.4
58.52944	0.5
59.01248	67.0
59.98388	1.4
66.14233	0.7
69.03338	1.0
71.01250	38.2
71.35137	0.9
72.01597	0.6
72.99166	2.0
73.02817	10.5
74.56911	0.5
76.92535	0.6
83.01239	3.8
85.02819	9.0
87.00743	2.0
89.02312	40.0
89.68439	0.6
93.03301	0.7
95.01267	2.7
99.04388	45.3
100.04724	1.1
101.02317	21.6
102.02659	0.6
103.03887	1.0
111.04401	1.6
113.02325	13.4
115.84208	0.5
119.03381	10.3
123.97531	0.6
131.03391	5.1
143.03465	1.4
145.74554	0.7
149.04449	38.7
150.04800	1.4
160.05176	1.0
161.04462	2.4
173.04486	1.2
179.05551	2.1
187.03894	2.2
189.05530	1.6
189.12769	9.6
190.06296	0.8
191.05495	2.0
205.08632	1.2
207.13835	56.0
208.14166	3.2
227.05841	0.6
233.11784	1.4
251.12846	100.0
252.13210	7.7
269.13965	2.5
296.10452	0.8
307.69806	0.6
311.13025	0.7
341.13840	5.0
345.17053	1.9
383.17093	1.9
431.19171	96.3
432.19440	9.1
524.55658	0.7
563.23358	48.4
564.23602	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65548	0.5
55.01738	1.0
57.03297	0.7
58.00452	3.4
58.52944	0.5
59.01248	67.0
59.98388	1.4
66.14233	0.7
69.03338	1.0
71.01250	38.2
71.35137	0.9
72.01597	0.6
72.99166	2.0
73.02817	10.5
74.56911	0.5
76.92535	0.6
83.01239	3.8
85.02819	9.0
87.00743	2.0
89.02312	40.0
89.68439	0.6
93.03301	0.7
95.01267	2.7
99.04388	45.3
100.04724	1.1
101.02317	21.6
102.02659	0.6
103.03887	1.0
111.04401	1.6
113.02325	13.4
115.84208	0.5
119.03381	10.3
123.97531	0.6
131.03391	5.1
143.03465	1.4
145.74554	0.7
149.04449	38.7
150.04800	1.4
160.05176	1.0
161.04462	2.4
173.04486	1.2
179.05551	2.1
187.03894	2.2
189.05530	1.6
189.12769	9.6
190.06296	0.8
191.05495	2.0
205.08632	1.2
207.13835	56.0
208.14166	3.2
227.05841	0.6
233.11784	1.4
251.12846	100.0
252.13210	7.7
269.13965	2.5
296.10452	0.8
307.69806	0.6
311.13025	0.7
341.13840	5.0
345.17053	1.9
383.17093	1.9
431.19171	96.3
432.19440	9.1
524.55658	0.7
563.23358	48.4
564.23602	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07809	1.1
52.24373	1.0
55.01744	1.4
57.03314	1.6
58.00465	1.8
58.09171	1.0
59.01251	58.1
60.01564	1.0
71.01251	27.0
72.99194	1.6
73.02811	1.8
83.01245	1.4
84.72070	1.0
85.02831	5.0
87.00761	2.0
89.02320	29.6
93.03362	1.3
95.01274	1.8
96.95871	1.3
99.04389	17.2
101.02322	13.0
111.04413	1.0
113.02322	8.8
119.03393	11.6
121.06483	2.1
129.79280	1.1
131.03430	1.6
133.02837	2.6
135.04379	1.3
143.03412	1.5
149.04420	2.2
173.04375	1.4
177.01907	1.7
178.02135	1.3
179.05498	3.5
187.04008	1.5
189.12785	3.7
191.05577	2.1
207.13849	20.6
208.14183	2.2
251.12863	100.0
252.13142	6.9
255.03006	1.7
269.13986	2.1
271.02438	3.5
300.02798	4.2
301.03314	1.3
345.17203	1.4
383.16977	2.4
384.12018	1.3
431.19199	83.1
432.19586	7.3
519.11414	3.2
563.23407	60.2
564.23749	7.0
580.91235	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.1
67.39106	0.5
69.55204	3.5
74.82393	0.6
78.95773	8.7
79.95631	0.5
85.06456	2.0
93.05053	0.5
96.95869	0.7
98.20607	1.1
111.04477	0.5
140.01039	3.2
152.12305	0.7
152.99481	0.8
165.12814	0.9
181.12273	0.9
199.13310	9.2
214.04761	3.5
261.18387	0.8
279.19629	12.2
279.22525	1.0
347.25812	7.4
363.25476	1.0
365.26935	100.0
366.27240	11.3
395.28262	0.8
562.22815	1.3
562.31482	21.2
562.40094	1.3
563.31769	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	563.104
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
57.03309	0.9
59.01252	18.9
61.98696	3.5
65.00187	1.5
71.00951	0.7
71.01256	8.4
71.59025	1.1
73.02805	2.1
77.24801	0.8
78.95744	1.1
83.01250	1.6
83.04903	0.9
85.02810	3.1
87.00742	2.4
89.02312	2.8
93.03335	4.6
95.01248	1.0
96.95883	0.8
101.02306	3.2
109.02834	3.4
113.02328	3.7
119.03394	1.1
121.02839	4.8
125.02340	1.3
133.02826	3.8
134.03654	4.2
135.04445	1.3
137.02309	2.6
147.00777	0.8
149.02339	1.2
151.00284	1.4
155.03397	1.4
161.04495	1.5
163.00266	0.9
163.03769	0.9
165.01842	10.8
171.10103	0.9
172.05237	1.3
173.04497	8.5
173.05914	0.9
175.03922	1.0
177.01903	1.9
178.02679	1.6
179.03412	0.9
187.03857	0.7
191.05527	8.5
193.01321	2.6
199.03929	3.3
201.02057	0.9
211.13295	3.9
215.03342	1.8
226.02679	2.0
227.03336	4.2
228.03979	1.0
242.02179	0.8
243.02963	6.8
253.09367	0.9
254.02155	2.8
255.02950	1.9
269.04483	1.8
270.01474	1.1
271.02463	69.6
272.02789	5.5
283.13358	1.9
285.04120	2.1
287.05597	1.2
299.01953	100.0
300.02502	14.0
301.02814	0.9
301.14438	0.9
309.14948	1.9
314.04300	90.4
315.05032	52.2
316.05402	3.2
327.15958	4.0
327.21722	3.0
345.16995	10.6
346.17374	1.4
371.15015	7.5
383.94916	0.8
389.16019	2.4
398.36984	0.8
431.22702	1.2
477.10498	5.1
497.27536	1.0
498.80154	0.8
503.32123	5.7
519.11432	79.6
520.11890	9.2
521.33136	2.5
562.29260	1.6
563.21259	2.3
563.32813	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	561.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.1
58.00463	1.0
59.01251	13.3
61.98693	0.9
68.46986	0.4
69.03313	1.1
69.23748	3.2
71.01248	6.0
71.04878	0.8
73.02818	2.1
75.00737	0.6
75.35328	0.3
75.76190	0.3
79.84676	0.3
79.95644	0.4
83.01234	0.6
83.04884	0.6
85.02815	2.4
87.00746	0.4
87.04388	1.1
89.02310	1.5
93.03359	0.6
95.01270	0.6
96.95891	14.2
96.96824	0.7
97.02807	0.4
97.06476	1.1
99.00751	0.4
99.08034	0.6
101.02317	4.0
110.93298	0.4
113.02345	1.9
115.68962	0.4
118.43292	0.3
118.94094	1.0
125.02341	0.8
125.09608	0.4
135.04384	0.6
139.11156	0.9
141.12720	0.7
143.03433	0.4
143.04942	0.7
151.11194	0.4
153.12833	0.3
157.12299	1.7
160.84068	1.2
161.04543	0.6
161.05974	1.5
162.03122	0.8
169.12228	2.4
171.13754	0.5
173.04514	1.0
177.05466	0.8
178.96170	2.9
181.12202	0.4
183.13898	0.4
185.11737	2.4
187.03943	1.0
191.05553	1.0
199.13353	0.7
215.12828	1.0
216.92146	0.4
251.20229	0.7
295.22958	0.6
316.09763	0.8
321.24341	0.9
339.25412	5.8
344.09232	1.3
355.21130	0.5
355.24890	2.4
357.26437	100.0
358.26764	11.7
365.73105	0.5
371.27966	3.8
388.08115	0.6
399.27448	2.7
411.27444	0.5
441.28592	0.7
475.14178	0.6
501.27097	1.2
517.30530	1.8
519.18713	1.4
519.31226	0.9
561.32782	7.9
562.32886	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.3
57.03324	2.3
58.00449	2.7
59.01249	96.7
60.01579	1.5
60.99170	1.8
64.88898	1.0
67.01750	3.9
69.03314	2.3
71.01252	45.4
72.99179	3.9
73.02813	12.8
81.03336	1.7
83.01242	4.0
83.04884	3.5
85.02818	17.5
87.00750	7.6
89.02315	41.3
93.03334	22.0
95.01262	2.8
96.45536	1.0
96.95887	4.2
99.00751	3.0
99.04379	3.8
101.02319	29.2
102.02631	1.4
109.02825	1.9
111.04395	4.5
113.02313	19.2
119.03386	16.1
121.02857	1.2
123.04386	1.4
124.90934	1.0
127.03909	1.8
131.03383	4.6
133.02864	11.7
134.03671	1.2
135.04427	7.2
135.11679	2.1
136.01625	5.1
137.02348	2.3
143.03429	2.9
149.04471	23.5
151.03938	6.8
155.07571	1.0
160.01567	7.0
161.02345	12.5
161.04440	4.0
161.13223	3.9
173.04489	17.7
175.04002	1.0
175.62119	0.9
177.01820	5.5
178.02670	2.4
179.03415	2.3
179.05460	3.6
179.10667	14.2
180.11041	1.3
191.05533	100.0
192.05870	4.3
193.04874	2.0
205.12308	11.1
215.05511	4.1
239.89108	1.1
243.77113	1.1
249.11305	14.3
249.14906	4.6
249.41351	1.1
267.15814	1.4
309.07611	1.8
324.09546	1.1
328.47501	1.1
339.12271	3.5
343.17776	1.4
351.07266	8.4
356.71741	1.1
357.13522	6.3
360.96069	1.1
367.10260	1.1
369.09692	18.3
370.09860	1.4
429.21552	86.7
430.22241	7.2
468.40598	1.2
501.30045	2.0
561.25842	20.4
562.25720	3.5
587.41345	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00471	3.5
58.85794	1.3
59.01248	62.1
71.01249	31.8
71.45327	2.0
72.99162	2.5
73.02804	3.0
81.06944	1.9
83.01267	1.5
85.02816	6.3
87.00799	1.5
89.02308	43.2
95.01237	2.9
96.95918	2.3
99.04395	5.8
101.02320	19.7
105.03328	1.8
111.04377	3.0
113.02316	12.7
119.03371	18.3
131.03375	3.9
133.02853	7.3
143.03386	2.7
149.04472	21.1
161.04384	3.4
161.13275	16.7
173.04433	2.4
177.01820	7.4
178.02502	1.8
179.05510	7.7
187.11221	1.4
191.05528	3.4
193.94385	1.3
205.12280	40.9
206.12585	4.8
223.13100	1.7
245.74580	1.3
249.11293	66.5
250.11652	3.9
364.17865	1.9
429.17630	100.0
430.17767	10.6
539.50983	1.7
561.21832	22.1
562.22351	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	561.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.3
58.00482	2.9
59.01250	100.0
63.78178	1.2
69.11926	1.3
70.98586	3.0
71.01253	47.3
72.99182	4.1
73.02815	4.3
81.06965	1.8
83.01259	2.3
85.02824	10.1
87.00751	2.8
89.02316	69.7
93.03329	1.9
95.01246	2.8
99.04387	7.0
101.02322	27.1
111.04388	3.2
113.02327	20.8
113.03062	1.9
119.03388	21.4
131.03386	4.9
133.02823	3.0
134.03659	12.6
135.04475	2.1
137.02391	1.8
143.03398	5.0
149.02493	1.9
149.04465	41.5
149.05957	3.9
150.04793	2.1
151.03902	1.3
151.96344	1.2
161.04475	4.5
161.13298	17.8
162.13550	2.0
164.04781	1.2
170.40126	1.3
173.04477	2.8
175.00375	2.7
177.01869	3.3
178.02611	10.2
179.05521	14.5
187.11226	3.8
190.02650	7.7
191.03416	1.5
193.04982	32.0
194.05367	1.8
205.05008	7.7
205.12265	52.7
206.12659	1.8
223.06059	2.1
249.11288	47.5
250.11656	4.7
299.97363	1.5
353.08978	2.2
367.10394	9.3
370.21472	1.3
381.15390	1.9
385.18839	4.6
429.17517	83.7
430.17850	9.6
561.21997	44.6
562.22107	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	561.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13836	0.8
55.01751	0.8
57.03319	1.2
58.00463	2.6
59.01251	64.0
69.03356	0.7
69.22634	0.7
69.41280	6.9
69.41609	1.3
71.01254	37.7
72.99178	2.5
73.02814	6.7
79.05389	0.8
83.01260	1.5
85.02826	6.1
87.00728	4.1
89.02317	78.3
90.02665	1.1
93.62581	0.7
95.01261	1.7
99.04395	4.3
101.02322	15.9
103.03899	3.0
113.02340	12.9
119.03386	14.1
131.03389	11.6
143.03391	2.8
149.04466	100.0
149.25641	0.9
150.04782	2.9
161.04471	2.6
161.13263	14.3
179.05557	8.4
187.11185	1.9
205.12294	26.9
206.12637	1.5
249.11302	20.5
250.11794	1.5
370.47964	0.7
381.15448	1.3
385.18768	2.1
429.17651	20.9
430.17978	2.9
561.13092	1.4
561.21857	30.0
562.22162	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	561.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.9
58.00455	1.3
59.01250	71.1
60.25512	0.9
60.99158	1.2
61.98706	1.1
67.01770	6.6
69.03308	2.5
71.01251	38.2
71.04897	0.9
71.06847	2.6
72.99171	2.5
73.02443	1.3
73.02821	20.0
75.00747	1.4
77.61948	0.8
79.23081	0.9
79.95577	1.0
81.03329	1.6
83.01268	7.6
83.04890	2.8
84.98707	0.9
85.02818	11.3
87.00733	4.4
89.02316	26.3
93.03334	43.4
94.03665	1.8
95.01279	3.0
95.04922	1.3
96.95892	6.4
97.02786	1.0
99.00781	1.5
99.04369	1.3
101.01688	1.6
101.02327	28.2
105.03315	2.1
108.02032	3.7
109.02841	3.1
110.90273	0.9
111.00757	2.0
111.04383	6.9
113.02320	14.4
119.01266	1.4
119.03387	9.9
119.04818	1.1
121.02825	3.2
123.04427	5.1
125.02403	1.7
127.03905	1.3
129.01842	1.3
131.03375	3.2
132.02049	2.2
133.02840	24.6
134.03636	39.3
135.04463	10.1
137.02348	15.0
139.03882	2.2
143.03374	3.0
145.82800	1.0
149.02373	7.5
149.04453	15.9
149.05972	14.4
150.03072	3.5
151.03860	1.7
155.03406	5.9
160.01526	3.4
161.02394	7.9
161.04428	6.0
161.13252	2.2
164.04716	4.5
165.05348	1.3
173.04468	100.0
174.04796	8.1
175.00305	8.8
175.04919	3.3
176.01024	2.6
177.01860	13.5
178.02621	30.5
179.03456	5.4
179.05513	2.5
187.03923	1.4
188.04727	1.4
190.02654	22.0
191.03419	5.1
191.05524	52.6
192.04150	3.3
192.05878	2.8
193.04984	91.7
194.05258	4.7
203.07109	5.8
205.05008	22.4
205.12256	9.0
207.06554	2.0
209.08203	1.6
213.05449	1.3
221.06456	1.4
223.05954	6.9
224.06313	1.8
225.07687	1.1
225.11263	2.2
249.11307	8.9
267.12219	1.0
279.06677	2.2
294.08685	1.3
309.11359	6.6
326.79630	1.0
337.08881	1.0
339.12323	6.4
345.78976	1.0
351.07297	8.5
352.07736	2.2
353.08777	7.9
357.19391	1.0
367.10306	29.4
368.10712	2.0
369.09695	11.8
370.10049	1.6
385.18494	1.5
387.10745	3.3
387.15146	1.2
397.11554	1.5
398.11493	2.5
399.12036	4.9
429.17294	8.1
430.17676	1.3
444.75516	1.0
473.34335	1.2
497.29953	1.0
501.30478	2.5
561.14587	10.7
561.22437	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	561.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.0
58.00467	2.5
59.01251	100.0
60.01592	1.2
60.27016	0.6
65.38091	0.7
69.03324	0.7
71.01253	47.5
71.38177	1.5
72.01595	1.0
72.99186	3.5
73.02814	7.0
79.71272	0.7
81.06949	1.0
81.20979	0.8
81.34150	0.6
83.01266	2.5
83.04888	1.1
85.02820	8.1
87.00764	3.5
87.75423	0.7
89.02316	72.9
90.02658	0.7
95.01264	3.6
95.39719	0.7
99.04397	6.0
101.02321	29.3
101.07168	0.6
103.03901	1.0
111.04375	3.4
113.01519	1.0
113.02322	19.0
119.03389	25.9
120.03825	0.8
125.02332	1.0
131.03397	8.4
136.01591	1.2
143.03401	3.8
149.04459	64.8
150.04785	1.6
151.03888	2.5
161.04457	6.7
161.13261	16.3
173.04482	0.8
179.05515	14.9
180.05881	0.9
187.11179	2.8
191.05565	1.5
199.23381	0.7
204.84966	0.8
205.12274	51.0
206.12671	3.4
229.12137	0.8
235.27765	0.8
249.11288	48.3
250.11555	3.6
266.49637	0.7
277.63989	0.7
343.17502	1.2
357.13342	2.1
381.15674	3.7
385.18692	4.1
429.17633	58.0
430.17789	6.2
561.21869	67.3
562.22235	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	561.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.6
59.01248	12.2
59.53632	0.3
61.98701	0.7
65.00213	0.4
70.97005	0.9
71.01250	6.8
72.99161	0.5
73.02821	2.2
76.56304	0.3
77.81498	0.3
79.82918	0.3
83.01269	0.9
83.46574	0.3
85.02816	2.9
87.00717	0.5
89.02319	3.2
89.03880	0.4
91.05392	0.4
93.03340	2.8
96.95889	0.8
99.00742	0.6
101.02322	4.9
107.37436	0.3
109.02885	0.3
111.00823	0.3
113.02319	2.4
117.03329	0.5
119.03396	1.9
119.04855	0.6
121.02832	10.9
125.02346	0.4
132.02063	0.8
134.03639	0.4
135.04419	2.5
137.02341	0.9
143.03381	0.4
147.04408	2.4
149.02339	56.1
150.02675	1.9
151.03967	0.4
152.01074	3.9
153.09094	0.4
161.04459	1.5
163.03899	4.0
164.04692	35.0
165.01883	1.6
165.05029	1.3
166.37411	0.3
167.03369	0.6
169.04977	1.6
173.04422	1.2
175.00259	1.9
179.05475	0.7
179.07014	5.4
180.07346	0.4
190.02628	5.4
191.03271	0.3
191.03830	0.5
191.05533	4.7
193.01338	11.4
193.04936	0.7
194.01732	0.8
200.14127	0.3
205.04984	7.2
208.03697	24.6
209.04065	1.3
211.13277	0.4
214.06329	0.4
217.31203	0.3
221.06708	0.4
223.06052	100.0
224.06393	5.6
253.09200	0.8
307.19019	0.4
325.14413	1.0
325.20090	1.6
337.05350	0.5
337.09259	7.3
338.09512	1.1
341.27017	1.0
343.15433	2.0
357.26486	0.8
369.13388	2.0
387.14084	0.6
399.23914	1.7
500.29370	0.5
501.30652	2.9
519.31329	1.7
546.36194	0.4
560.32098	0.4
561.19293	0.6
561.31476	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	561.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89840	1.1
57.03311	1.5
59.01249	41.9
60.01587	1.1
61.35814	1.1
61.98713	6.0
61.98970	1.1
62.04934	1.0
65.37521	1.0
66.40101	1.0
69.03306	1.1
70.43027	4.8
71.01248	20.8
72.99191	2.2
73.02825	6.3
73.56289	1.1
79.95609	1.5
80.96381	1.1
83.01262	3.0
83.04868	1.3
85.02814	7.2
87.00747	3.4
89.02332	12.4
91.01747	1.2
93.03342	6.6
95.01254	2.7
96.95877	4.6
97.95813	1.2
99.00746	1.8
101.02316	12.9
111.00769	1.6
111.04340	1.5
113.02338	10.8
119.01235	2.2
119.03383	4.3
119.04877	1.3
120.45961	1.2
121.02827	5.8
121.13293	1.0
123.04426	1.3
124.77968	1.1
125.02333	1.8
131.03378	2.1
133.02853	15.2
134.03635	92.7
135.04309	3.4
135.80104	1.3
137.02347	15.8
139.03905	5.8
139.35811	1.1
147.00735	1.9
147.04390	1.2
148.01575	2.8
149.02338	10.3
149.04440	5.0
149.05960	27.8
150.03128	12.2
153.01848	2.7
161.02321	2.8
161.04437	3.1
161.05785	1.4
162.04802	1.1
163.03894	1.9
164.04710	7.0
165.01848	1.2
165.05417	4.6
166.62617	1.2
173.04478	7.4
175.00278	14.4
176.01059	36.1
177.01697	4.8
178.02637	58.2
179.03062	3.4
179.05479	1.4
179.07014	1.5
184.03293	1.3
189.01755	1.4
190.02643	40.1
191.03389	45.2
191.05467	13.3
192.04187	34.4
193.04980	100.0
194.02100	4.4
194.05295	4.5
205.05005	44.3
205.12070	1.4
206.05472	1.3
207.02881	1.5
207.06575	19.8
208.03659	2.9
208.07010	1.3
209.04451	10.8
223.06046	10.2
239.94267	1.2
240.04135	1.8
249.11250	1.8
251.05566	4.9
278.44354	1.1
293.06543	1.5
295.11188	1.4
297.14731	1.7
307.13489	1.2
325.10602	1.2
325.14368	5.4
329.57196	1.2
343.15479	5.9
351.12018	1.5
353.08755	81.4
354.09146	5.8
357.26678	1.7
367.10300	43.9
368.10510	3.2
369.13452	7.8
370.13535	1.3
387.14413	2.7
456.55627	1.4
500.29361	2.0
501.30646	8.3
519.31891	2.8
561.15997	41.1
561.28253	6.0
562.16461	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	559.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	16.9
64.90405	0.7
70.02505	0.8
70.27100	2.9
71.01265	3.5
73.02830	0.9
78.34305	0.8
78.95782	1.8
79.54819	0.9
84.66454	0.8
85.02834	1.1
86.63247	0.8
87.00765	1.1
88.04655	0.8
89.02339	3.4
101.02321	3.6
113.02345	1.8
119.03400	1.1
121.61437	1.0
121.67868	0.9
142.45610	0.9
152.99577	0.9
159.21568	0.8
161.49133	0.9
219.96968	1.0
235.08238	2.1
238.86839	0.8
253.09241	16.9
263.20148	100.0
264.20471	9.8
285.94675	0.9
436.63794	0.9
513.52368	0.9
552.28186	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.312
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30990	0.3
59.01248	21.2
61.98692	1.7
62.74762	0.3
70.00929	0.8
70.01348	1.2
71.01254	3.3
73.02810	1.0
78.95757	1.2
83.04874	0.3
85.02820	1.0
86.97617	0.4
87.00733	0.8
89.02316	3.2
90.84042	0.5
98.19843	0.5
101.02322	3.7
104.74492	0.4
113.02317	1.5
119.03374	0.9
125.02312	0.4
161.04456	1.2
179.05493	0.7
188.69061	0.4
235.08151	1.9
253.09264	17.1
254.09505	0.9
263.20132	100.0
264.20477	8.8
277.21689	0.8
366.08826	0.4
474.26334	0.7
513.82294	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76906	0.5
59.01245	1.4
61.98703	0.6
63.10529	0.6
63.34391	0.5
70.38599	0.5
70.49150	0.6
71.49845	0.8
78.95779	20.3
80.79412	0.6
82.74586	0.5
96.96842	0.9
97.66032	0.6
140.01096	3.0
152.99487	9.1
186.86385	0.8
196.03687	3.9
214.04839	3.7
237.75299	0.6
279.23282	100.0
280.23581	8.9
306.77267	0.6
425.33868	0.7
476.27847	26.0
477.28098	3.4
498.25333	0.7
558.21411	1.2
559.26648	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.4
57.03313	0.9
59.01248	10.2
60.99178	0.3
65.03848	0.3
67.01755	4.2
69.03320	0.8
70.51900	0.8
71.01254	6.6
72.99165	0.5
73.02820	1.7
78.95760	0.2
81.03336	0.8
83.01238	0.9
83.04906	1.1
85.02824	2.3
87.00762	0.5
89.02309	2.4
89.08567	0.2
93.03329	22.0
94.03671	0.9
95.01288	0.3
96.95915	0.3
99.00760	0.4
99.04399	0.3
99.76610	0.2
101.02319	3.0
108.02046	0.2
109.02839	0.9
111.00742	1.0
111.04406	4.5
113.02332	2.7
119.03373	1.3
119.04945	0.3
121.02827	1.0
125.02301	0.3
127.03905	0.4
129.01814	1.3
133.02844	0.7
135.04422	1.0
137.02335	4.5
138.02733	0.2
143.03430	0.3
147.02913	0.4
147.04398	1.1
149.02351	10.2
149.04330	0.4
150.02661	0.3
155.03419	4.0
159.02937	0.3
161.02359	1.7
161.04472	0.8
164.04704	8.6
165.05017	0.6
173.04466	100.0
174.04803	3.2
179.03418	0.8
179.05502	0.7
179.07033	0.9
187.11217	0.3
191.03783	0.4
191.05511	2.2
198.30602	0.2
205.12271	0.3
223.06056	15.0
224.06371	0.9
225.07541	0.2
246.91394	0.2
249.11304	0.6
289.09402	0.2
290.41843	0.2
335.07822	0.4
397.11359	28.8
398.11679	3.1
429.17691	0.8
499.29202	0.8
517.29980	0.3
559.29431	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.2
63.02257	0.6
69.62591	2.6
69.63006	0.7
71.01247	1.5
73.02804	0.8
78.95748	0.5
81.03320	1.1
85.02821	0.8
87.00732	0.4
88.58078	0.4
89.02312	0.8
93.03330	0.7
96.95900	1.7
101.02337	0.7
119.03434	0.5
121.02766	0.5
123.04440	0.5
133.19597	0.5
135.04446	0.7
145.02896	0.7
145.65445	0.4
147.04407	1.9
149.02332	1.2
155.03477	0.5
163.06058	0.7
169.62755	0.4
173.04453	1.2
190.02650	0.8
191.03427	100.0
192.03763	5.1
206.50696	0.5
233.04536	1.1
237.16299	0.5
344.37592	0.5
383.03781	0.5
389.70538	0.5
499.14603	7.7
500.15289	1.0
532.97052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.7
57.03317	0.8
58.00457	0.6
59.01250	28.9
60.01570	0.4
61.98682	0.2
69.03322	0.4
70.64140	0.5
70.64479	0.3
70.96291	0.2
71.01254	12.0
71.04886	0.8
72.01591	0.3
72.99181	1.0
73.02816	7.1
74.59861	0.3
75.00766	0.3
81.03304	0.3
83.01251	2.0
83.01676	0.3
83.04896	0.3
85.02821	4.1
87.00758	1.9
87.04364	0.3
89.02322	3.6
93.03342	0.6
95.01265	0.7
96.95912	0.5
97.02821	0.5
97.06451	0.5
99.00762	1.0
101.02321	8.1
111.04374	0.3
113.02338	3.6
113.05910	0.2
119.03396	0.9
123.08040	0.9
125.02325	0.7
125.09617	2.8
127.11192	0.4
131.03397	0.4
132.98068	0.3
139.11189	0.5
141.09067	0.6
143.03358	0.7
143.10678	0.6
153.09097	0.9
155.10641	0.6
161.04437	0.7
163.05998	2.0
167.14319	0.3
170.99658	0.4
171.08746	0.5
171.10188	8.9
172.10559	0.4
173.04448	1.5
183.13835	0.4
185.11757	0.9
191.05545	0.6
195.13860	0.8
197.11778	0.3
198.99292	0.3
199.13304	0.7
200.10576	0.3
211.13147	0.3
217.00261	0.6
243.15862	0.2
259.01291	0.3
277.25281	0.2
293.24683	0.3
301.21521	0.3
309.24487	0.4
319.22821	0.4
321.24365	1.3
337.23849	7.4
338.24219	0.8
339.25369	31.9
340.25812	3.0
355.24887	8.1
356.25266	0.8
385.26218	0.3
413.14957	1.3
451.20831	0.2
457.13724	0.3
499.29120	5.7
500.29825	0.8
515.28546	0.8
517.22351	0.5
517.30139	8.2
518.30377	1.2
541.30286	0.6
559.31195	100.0
560.31537	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	556.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	5.2
71.01260	3.7
80.75626	0.7
80.91185	0.7
83.01270	0.8
83.69624	0.7
89.02326	3.9
98.20664	1.2
101.02318	2.6
113.02332	1.3
119.03365	1.3
161.04414	1.8
229.94365	0.8
235.08171	1.9
238.25052	0.7
253.09244	15.8
277.21713	100.0
278.22043	10.0
398.08234	0.8
557.26941	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42291	0.9
59.01243	4.6
61.40372	0.9
62.67482	0.9
71.01241	2.0
71.58553	1.4
89.02296	2.6
93.21243	0.9
94.11564	0.8
101.02310	3.1
113.02284	1.8
116.12328	0.9
118.89278	0.9
152.03578	1.1
216.99960	0.9
235.08211	2.3
253.09283	15.5
277.21713	100.0
278.22107	9.9
279.23309	1.4
335.81210	0.9
336.32117	1.1
504.31049	1.4
541.46582	1.0
556.28467	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	557.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30078	1.5
59.65368	1.7
60.42079	1.6
70.02856	7.4
71.01285	1.6
71.56873	1.9
72.00770	21.2
72.99184	2.6
73.02799	3.0
78.95770	2.0
79.57401	1.6
82.02873	3.6
86.02370	5.1
87.00748	1.6
87.13361	1.6
94.02827	1.7
96.04429	9.3
96.94286	1.9
96.96886	1.6
98.02372	7.6
99.00761	4.2
106.06518	2.6
122.06052	3.3
124.03902	2.1
124.07574	4.8
128.03455	2.6
134.06046	2.3
136.03775	1.6
138.05524	3.2
143.04526	5.2
144.02930	31.5
150.05379	2.1
161.05595	2.0
167.08177	7.6
179.03418	2.5
179.08147	3.7
180.06641	2.9
191.05534	3.1
206.55812	1.6
241.08263	24.3
259.09341	100.0
260.09598	5.6
299.77203	1.8
340.14252	1.9
343.60690	1.6
359.94397	1.7
388.00681	2.1
421.14557	2.5
434.38275	1.9
505.59976	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	22.4
70.64719	0.4
70.65055	0.2
71.01254	0.3
75.35938	0.2
78.95773	18.2
80.96390	1.2
94.97934	0.3
96.95847	0.2
96.96883	0.3
122.98420	0.4
150.93813	0.2
152.98317	0.3
152.99481	2.7
164.98560	0.2
168.04219	3.1
187.85915	0.2
198.53900	0.2
224.06870	8.1
225.00713	0.5
225.07098	0.2
237.22160	0.2
242.07915	1.8
255.23254	100.0
256.23605	7.9
256.26376	0.4
385.24368	0.2
480.30911	55.8
481.31235	7.4
555.28357	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	554.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49100	0.3
59.01249	17.4
78.95772	6.4
152.99501	1.5
164.47266	0.4
168.04216	0.9
174.99185	0.7
217.00272	1.5
224.06816	0.8
242.07924	2.0
255.23256	100.0
256.23572	7.0
277.21661	0.4
449.72684	0.4
480.30927	28.4
481.31454	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	556.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27503	0.6
56.46638	0.8
59.01239	2.7
70.10516	2.7
71.01231	0.6
78.95773	23.1
83.04868	0.8
103.85195	0.6
106.90520	0.6
115.43667	0.6
125.09550	0.8
140.01070	3.0
152.99492	5.7
163.33044	0.6
171.00529	1.1
196.03738	5.1
214.04762	3.9
217.00281	1.4
277.21710	100.0
278.22046	10.3
297.80884	0.7
474.26236	31.3
475.26367	4.2
516.53937	0.7
531.89447	0.7
556.25311	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	552.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52790	0.2
53.37896	0.2
54.49749	0.2
57.48528	0.2
57.62965	0.2
59.01257	1.3
60.21915	0.2
71.01244	0.3
71.49865	0.2
75.37423	0.2
78.95308	0.4
78.95771	7.3
106.10566	0.2
108.91808	0.3
127.07629	0.2
152.99483	1.5
168.04230	1.7
174.93483	0.2
224.06897	0.8
233.22704	0.4
242.07947	3.1
259.20514	0.5
275.20139	0.5
277.21701	100.0
278.18985	0.5
278.22040	8.3
336.78229	0.2
338.16370	0.2
393.29483	0.2
408.22403	0.2
432.59225	0.2
436.37201	0.2
502.29382	32.8
503.29657	4.5
506.85117	0.2
579.14691	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70652	0.2
57.29091	0.2
59.01246	2.0
63.34494	0.2
70.60885	0.4
71.01245	0.5
78.95776	5.7
79.95590	0.3
80.96378	2.0
82.23998	0.2
94.97958	0.4
95.95545	0.2
96.95916	0.3
96.96895	0.2
111.26494	0.2
114.88146	0.2
125.09682	0.2
142.87451	0.2
152.99506	1.0
164.98453	0.3
168.04216	1.2
174.99156	0.2
197.02248	0.2
217.00258	0.7
224.06883	0.9
241.21710	0.2
242.07922	2.5
261.22198	0.2
277.21701	0.5
279.23276	100.0
280.23624	8.4
399.57315	0.3
453.28476	0.5
504.30960	28.9
505.31311	4.1
554.27014	2.4
554.44904	0.2
555.27094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87232	0.3
55.84624	0.4
59.01240	2.9
70.87942	1.0
78.01207	0.3
78.95776	27.6
80.96379	0.7
83.55856	0.3
96.96838	0.5
98.20612	0.4
101.86147	0.3
115.98772	0.4
152.29381	0.4
152.99515	3.0
168.04216	3.9
217.00201	1.2
224.06888	8.4
242.07941	2.2
277.21735	0.8
279.23276	100.0
280.23636	10.2
453.29041	0.4
493.68738	0.4
504.30948	66.8
505.31277	7.6
542.79590	0.4
554.27264	0.6
555.16705	0.7
557.20038	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	0.3
59.01247	16.5
69.61288	2.7
71.01250	3.0
73.02818	1.1
78.95763	0.6
85.02813	0.6
87.00727	0.7
89.02292	2.3
93.34897	0.3
101.02325	2.8
103.53016	0.3
113.02312	1.3
119.03369	0.9
131.26031	0.3
133.04945	0.5
152.99481	0.5
155.38609	0.4
161.04431	1.0
235.08200	2.4
241.17488	0.4
253.09253	13.1
254.09340	0.7
255.23253	100.0
256.23608	9.3
269.15402	0.4
491.32278	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35400	0.4
59.01243	3.9
61.97702	0.5
63.34292	0.4
69.58566	1.6
69.58997	1.6
74.97368	0.4
78.95772	31.4
81.04669	0.5
93.72536	0.4
98.19788	0.9
122.98347	0.5
139.29553	0.4
152.99487	4.7
168.04233	4.7
180.61787	0.5
214.49080	0.4
224.06876	12.3
233.22763	0.8
242.07877	2.9
253.21643	5.4
259.20618	0.7
275.20160	0.6
277.21704	100.0
278.22052	9.6
279.68637	0.4
359.30307	0.5
478.29193	1.3
502.29379	79.7
503.29669	10.0
556.96899	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88017	1.6
57.03328	3.8
59.01250	43.2
64.63868	1.4
69.03337	1.6
71.01250	21.8
71.58149	2.1
72.99165	3.5
73.02818	10.9
83.01232	4.7
85.02820	8.3
87.00743	1.4
89.02315	13.7
93.03337	7.0
95.01268	1.9
96.95880	3.7
99.00788	1.7
101.02319	12.1
111.04400	2.2
113.02312	5.6
115.00220	3.3
119.03363	4.5
121.02836	6.4
122.03605	5.3
129.05489	1.8
131.03375	1.8
133.01320	7.9
134.03658	2.7
135.04385	4.2
136.75964	1.7
137.02316	1.9
139.03703	1.4
149.01202	2.6
149.02339	32.2
149.04318	3.1
149.05988	2.5
150.03136	41.1
151.03647	2.5
152.01027	5.9
161.69617	1.4
163.03889	5.6
163.06020	2.7
164.04712	14.1
165.01842	2.8
165.05489	48.4
166.02672	1.6
166.05797	1.6
169.05038	1.7
171.10226	1.4
173.04446	3.9
175.03888	1.8
177.01901	2.5
179.03458	2.2
179.07024	2.7
180.04179	3.6
191.03604	1.4
191.05490	5.2
193.01340	13.8
195.06551	42.1
196.06946	1.8
208.03690	23.3
209.08112	4.6
214.00252	1.4
215.12910	1.6
223.06070	78.1
224.06335	4.2
271.02264	3.0
272.03046	2.2
273.02954	2.4
277.20132	1.4
300.02817	1.8
301.03186	2.7
302.03271	4.2
303.04034	1.9
359.24457	2.9
371.11392	8.5
371.24271	2.4
389.25366	1.6
392.73126	1.6
419.13669	4.2
419.22546	2.6
491.28625	2.3
507.10312	4.3
521.29645	5.5
533.29602	5.6
550.29077	2.0
551.22540	16.6
551.30597	100.0
552.23468	3.0
552.30975	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	549.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73881	0.3
56.94262	0.3
59.01246	12.6
71.01250	2.4
71.58311	0.3
73.02843	0.6
76.69846	0.3
78.95770	2.0
85.02834	0.6
89.02309	2.0
95.01240	0.5
97.77905	0.4
101.02320	2.3
113.02290	1.2
116.86510	0.4
119.03368	0.6
136.95436	0.4
152.99484	1.4
161.04424	1.2
235.08199	2.0
245.04338	0.6
253.09282	9.9
253.21696	100.0
254.22098	6.8
287.07422	0.4
300.02338	0.4
374.99536	0.4
481.25943	0.7
489.30807	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	8.2
59.01255	17.8
68.63448	3.7
71.01255	11.3
71.57874	4.1
83.01281	8.6
85.02812	7.8
87.00758	4.0
89.02334	10.0
93.03334	6.6
96.95889	8.6
101.02322	8.2
107.01267	10.3
109.02825	3.8
113.02311	3.6
121.02839	7.2
123.04423	4.8
125.02336	97.7
134.03665	8.8
135.04378	5.8
137.02345	5.3
139.03909	4.7
148.03835	3.2
149.02344	16.6
150.03093	6.6
151.00273	29.1
151.03926	6.3
153.01830	27.9
161.05873	3.4
165.01804	4.4
165.05501	7.7
167.03386	3.9
173.04497	8.0
175.03908	12.4
177.01846	15.7
178.02638	4.9
178.99707	18.8
181.01349	11.5
181.05058	4.1
183.60095	3.5
189.05435	6.1
191.05508	18.3
192.87526	3.5
193.04984	19.1
199.03789	4.1
241.05061	3.2
275.05618	24.8
285.04037	45.6
299.05600	9.6
303.05109	100.0
304.05316	9.3
332.70358	4.1
383.06128	7.8
385.07980	6.4
417.01962	3.5
551.17981	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	549.296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07413	0.1
59.01254	0.5
59.45949	0.1
59.85027	0.1
69.40191	0.8
71.01250	0.2
73.02845	0.1
76.31519	0.1
78.95775	2.0
79.95605	1.9
83.04900	0.1
85.02805	0.1
93.03344	0.1
96.33274	0.1
96.95889	100.0
96.96769	4.1
97.95825	0.3
98.02327	0.7
98.95482	0.1
113.02262	0.1
119.03397	0.1
151.00233	0.2
154.95938	0.1
156.47978	0.1
157.08414	0.1
173.04498	0.1
178.02521	0.1
178.98340	0.1
191.05539	0.2
192.76067	0.1
206.26917	0.1
243.02866	0.2
246.58850	0.1
255.02974	0.5
271.02420	1.1
272.02567	0.1
300.02759	1.9
301.03439	0.6
333.31543	0.1
369.03766	0.1
463.08768	0.2
490.34204	0.5
505.09885	1.3
506.10156	0.1
549.29382	0.2
560.53558	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	549.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10967	0.5
51.85373	0.4
57.99356	0.4
59.01248	59.8
60.01593	1.0
61.98700	5.9
69.03326	0.4
70.92208	0.6
70.92555	1.0
71.01240	3.3
73.02825	1.9
75.00729	0.5
82.27545	0.5
83.01278	0.8
85.02850	1.0
89.02340	0.6
93.03332	1.5
96.95869	0.5
97.02825	0.7
101.02319	2.8
106.04120	0.8
107.04915	1.0
108.02051	1.0
113.02335	1.1
117.82170	0.4
119.04902	0.5
121.02829	1.0
123.04382	0.7
133.02866	0.5
134.22746	0.4
137.02364	0.4
139.03885	3.7
143.04893	1.5
147.08011	2.1
149.05978	55.1
150.06322	2.0
151.03894	0.6
152.99519	0.4
159.04517	0.8
160.05194	0.6
161.04462	0.5
171.04385	2.1
172.05202	0.5
173.04453	3.1
173.05899	0.8
181.12265	0.6
183.04431	0.8
187.03862	2.4
187.07568	0.5
187.89519	0.5
188.04678	4.0
191.05528	0.7
191.07042	0.6
196.66240	0.5
199.03923	3.9
200.04619	0.5
201.05553	1.4
202.06259	0.9
202.42850	0.4
203.07057	9.6
209.08125	100.0
210.08464	4.9
213.14932	0.6
223.09645	1.1
227.03435	23.1
227.91145	0.5
228.03902	1.8
229.05019	6.9
229.08540	2.0
230.09415	1.6
231.10176	0.5
241.05096	0.5
242.05792	27.0
243.06380	3.5
244.07428	2.8
255.02827	0.6
255.06555	0.8
257.08154	35.2
258.08456	2.0
270.08853	1.6
271.02509	1.4
273.07498	0.8
300.02682	1.5
301.03574	0.7
325.10773	3.1
339.12369	3.7
346.50018	0.5
371.14792	0.5
387.20132	1.2
399.14819	2.2
452.16666	0.6
489.34232	0.5
505.09949	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85129	0.7
57.03316	0.8
59.01249	23.9
59.55818	0.6
61.98704	5.0
67.01755	4.2
68.61576	0.9
69.03336	1.2
71.01244	6.2
71.58639	1.3
73.02817	2.3
74.02344	1.0
78.95750	1.2
83.01252	1.3
83.04907	1.4
85.02818	2.3
87.00771	0.7
89.02329	1.0
93.03338	23.7
96.95888	0.8
101.02307	2.1
109.02843	1.0
110.83588	0.7
111.00768	1.7
111.04411	5.2
113.02316	1.6
121.02845	0.8
133.02808	1.0
135.04401	1.6
137.02357	4.9
145.31062	0.8
149.05962	3.8
155.03413	4.2
161.02319	1.6
161.05974	0.9
173.04466	100.0
174.04793	2.9
179.03436	1.0
183.13849	3.5
187.07426	1.2
191.05560	1.5
195.13815	4.0
201.05505	1.4
201.09100	1.1
202.06268	1.7
203.07069	0.9
206.02188	0.7
209.08142	6.9
213.14902	22.3
214.15211	1.7
217.00272	0.9
227.03387	1.3
229.08722	2.0
230.09366	2.3
237.96022	0.7
242.05794	1.5
255.03085	1.1
257.08130	2.0
271.02524	2.3
300.02747	3.2
301.03461	1.3
315.97232	0.8
326.79742	0.8
351.08585	0.8
374.99084	0.7
387.20236	50.7
388.20627	5.5
413.32254	0.8
452.16800	2.0
505.10153	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	549.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20116	0.4
57.94500	0.3
58.28880	0.3
59.01258	1.3
65.00201	1.4
71.07320	0.8
89.02297	0.4
91.01794	0.4
91.36146	0.4
96.95913	0.9
107.01256	1.9
108.02097	1.2
109.02872	1.1
113.67964	0.3
116.92777	0.7
121.02864	1.4
124.01570	0.4
135.00786	0.6
137.02383	0.4
148.01599	1.1
149.04549	0.4
151.00272	9.4
152.00644	0.4
161.52467	0.4
163.00279	2.0
169.01324	0.6
173.04507	0.3
178.99779	5.3
191.05511	0.5
199.03822	0.6
211.03944	0.5
215.03481	0.4
216.04208	0.5
226.02647	0.9
227.03441	2.6
243.02956	8.4
244.03548	0.9
245.04510	0.7
254.02243	1.7
255.02966	22.3
256.03412	2.3
271.02466	46.4
272.02921	5.5
273.03827	0.7
283.02405	1.1
299.02063	1.9
300.02722	100.0
301.03415	34.8
302.03824	2.6
343.03903	0.4
431.87711	0.4
444.98438	0.4
461.25449	0.4
463.08997	3.3
464.09323	0.4
505.09848	44.2
506.10208	7.1
550.12769	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.3
64.61639	0.9
71.38217	1.0
71.38565	1.1
74.26488	0.8
80.08665	0.9
93.41979	0.8
107.01259	1.8
109.62985	1.2
149.04463	1.8
151.00299	7.3
163.00272	1.6
169.01274	1.5
171.12726	0.8
178.99721	3.4
190.76460	0.9
191.68460	0.8
211.03903	1.0
227.03497	1.8
243.02917	6.9
249.53735	0.9
254.02046	1.6
255.02934	17.8
256.03220	1.1
271.02463	40.2
272.02957	5.3
273.03864	1.3
299.01996	1.6
300.02731	100.0
301.03412	30.9
302.03824	2.2
362.35959	1.0
460.47305	1.0
463.08823	5.3
505.09845	46.9
506.10168	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	549.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82957	0.2
54.32044	0.2
57.21248	0.2
58.54488	0.2
59.01254	0.4
69.28001	0.8
69.28429	1.4
77.03836	1.6
78.95744	0.3
93.03338	0.4
98.19765	0.5
121.02837	100.0
122.03168	4.0
145.30661	0.2
147.04443	0.3
152.99480	0.3
165.01834	51.3
166.02159	2.0
180.05717	0.6
181.06511	2.5
182.06761	0.2
186.96922	0.3
197.06021	2.6
207.04463	0.8
207.08070	0.5
223.03915	0.3
225.05554	1.4
251.07191	0.3
257.09573	0.6
313.07236	1.4
334.07413	1.0
337.13290	0.2
353.80649	0.2
357.06186	0.8
383.07715	0.5
417.09769	2.3
492.06207	1.0
505.11368	1.7
506.11835	0.3
509.29556	0.2
538.26855	0.3
549.10339	25.0
550.10657	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77228	0.3
58.88748	0.3
63.02256	0.6
63.07245	0.3
65.00175	0.4
71.35874	0.6
74.92164	0.3
96.08028	0.4
96.95885	9.3
107.01250	1.8
108.02036	0.7
109.02816	0.7
121.02818	1.0
130.03297	0.4
144.98293	0.3
148.01556	1.1
151.00261	6.7
163.00252	1.8
168.26804	0.4
178.99773	4.7
211.03891	0.8
227.03365	2.1
229.04961	0.6
243.02939	5.4
244.03455	0.5
245.04533	0.6
254.02184	1.7
255.02943	16.9
256.03403	1.6
271.02454	35.0
272.02982	3.6
273.03986	0.9
283.02396	1.3
299.01962	1.1
300.02719	100.0
301.03409	33.4
302.03842	2.0
320.57779	0.3
429.53464	0.4
445.07928	0.7
463.02792	0.7
463.08844	9.6
464.09082	1.0
505.09854	68.3
506.10150	9.2
554.56915	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.6
57.03311	3.7
58.00465	2.9
59.01252	56.4
67.01768	1.8
69.03316	2.2
71.01253	74.0
71.15437	3.4
72.99184	6.0
73.02820	10.4
81.03364	1.8
81.29486	1.2
83.01273	7.7
83.35336	1.3
85.02823	40.4
87.00745	5.8
89.02315	47.2
93.03310	6.3
95.01244	10.8
96.95891	11.5
97.02816	3.6
97.06475	2.6
99.00761	7.1
101.02328	44.7
102.02641	1.4
106.39622	1.6
109.02847	2.9
113.02332	59.1
119.03397	17.5
125.02348	3.2
130.05000	1.2
131.03406	3.1
135.04411	4.2
136.05159	2.3
138.06799	7.9
139.07545	3.4
143.03416	7.3
143.04366	1.4
145.02834	2.1
149.02428	1.7
149.04431	3.2
151.07533	6.9
152.08340	12.4
153.09125	27.0
159.03001	1.6
159.04391	2.8
161.02380	2.0
161.04466	29.4
161.05792	1.6
163.11253	2.3
173.04475	3.9
179.03401	4.0
179.05534	10.7
187.03967	3.7
190.09903	1.7
191.05524	19.2
192.05869	1.6
196.16769	1.3
205.05014	2.9
205.12256	22.7
223.06029	3.0
223.13402	8.5
263.05591	1.7
265.07141	1.4
283.11847	3.2
300.75900	1.3
323.09827	14.7
373.08966	2.6
385.18704	20.5
386.18924	2.9
415.16028	3.8
547.16370	3.3
547.23962	100.0
548.24292	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	547.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	20.5
71.01240	3.6
71.58178	1.2
78.95781	1.7
85.46124	1.0
89.02310	2.6
101.02284	3.2
103.90889	1.0
119.03418	0.9
152.99461	2.3
161.04333	1.5
164.93860	1.0
191.05429	1.1
217.00287	1.0
233.19101	1.2
251.20125	100.0
252.20546	7.5
253.09244	13.2
536.10120	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.7
59.01251	18.2
61.98677	0.7
65.26599	0.6
65.88311	0.7
66.06837	0.6
71.01241	2.1
71.58010	0.7
73.02817	1.0
74.48299	0.9
78.21032	0.7
78.95765	1.4
85.02811	1.1
87.54948	0.7
89.02318	3.0
96.95957	0.9
101.02311	2.4
108.28619	0.7
113.02323	1.6
114.89967	0.7
118.37556	0.7
121.95235	0.7
152.99464	1.9
161.04417	0.8
181.98206	0.7
235.08379	1.7
251.20129	100.0
252.20464	8.3
253.09253	13.0
424.75592	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80019	9.2
59.01245	100.0
60.63802	7.9
61.98703	12.9
65.40559	8.7
69.19283	8.3
71.01256	22.6
71.58570	12.2
78.95768	13.3
85.02836	9.8
87.00719	14.1
93.03330	21.1
101.02336	20.5
108.01994	9.1
111.46053	9.9
149.05914	14.5
173.04512	18.6
209.08075	32.1
253.09242	17.6
275.16486	29.2
311.22141	32.1
527.72223	10.5
540.38538	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	545.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65695	0.7
59.01247	23.4
59.12556	0.6
60.52358	0.8
71.01244	2.6
71.58025	0.8
71.58449	1.6
87.00731	0.9
89.02287	3.7
91.62916	0.8
101.01714	0.8
101.02329	3.5
113.02315	2.4
117.99922	0.8
119.03364	1.7
145.02823	2.4
161.04404	1.0
191.05531	0.9
217.00252	3.0
235.08189	1.8
249.18562	100.0
250.18927	7.3
253.09225	17.1
299.00586	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05946	0.2
57.03322	9.9
57.74392	0.2
59.01249	5.4
61.98700	0.2
63.02265	0.7
65.00182	1.1
65.83344	0.3
69.03336	0.5
70.85968	0.2
70.86312	0.6
71.01258	2.3
73.02837	0.6
75.00697	0.3
81.03326	1.8
83.01259	4.1
85.02828	0.8
87.00756	0.7
89.02307	1.0
93.03335	1.6
95.04900	0.4
96.95885	1.8
97.02840	1.5
99.00768	0.5
99.04426	0.3
101.02340	1.3
107.01277	1.8
108.02055	0.4
109.02856	0.5
111.04379	0.4
113.02335	0.8
115.90857	0.2
121.02817	1.5
121.06480	0.3
123.00767	0.4
123.04412	4.8
124.01578	0.5
125.02335	100.0
126.02663	2.6
132.02054	1.2
133.02824	0.6
134.03644	2.9
135.04431	1.5
137.02364	0.8
139.03906	3.2
147.04381	0.5
149.02341	10.7
149.04335	0.5
149.05934	0.4
150.02719	0.4
151.00264	2.0
160.01570	6.7
161.02359	1.7
163.03934	0.7
165.01845	0.8
165.05432	0.3
166.02591	0.2
167.03412	17.6
168.03772	0.5
169.01292	0.6
173.04494	1.7
174.41017	0.2
175.00240	0.3
175.03929	7.0
176.04599	0.4
177.01889	0.4
178.02556	0.3
179.03438	1.9
181.04984	0.4
190.02641	0.3
191.03436	16.5
191.05414	1.0
191.07101	0.6
192.03835	0.9
193.04980	2.3
205.05028	0.4
209.04492	16.1
210.04779	0.8
221.04578	0.3
223.06111	0.7
224.06268	0.3
233.04543	3.4
235.06114	0.8
251.05539	1.3
261.05447	0.2
263.05624	0.3
265.07120	0.4
295.08176	1.9
301.34619	0.3
303.37131	0.2
307.67621	0.2
318.41684	0.2
323.07669	0.6
328.13132	1.0
337.09247	4.6
338.09650	0.5
343.15457	3.3
343.21423	0.4
367.10287	0.3
393.92615	0.2
415.19821	0.7
450.04807	0.3
463.12451	7.6
464.12921	0.9
505.13632	4.2
506.13666	0.6
529.13361	1.4
547.14502	5.4
547.28839	0.9
548.14960	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.8
57.03313	2.2
58.00456	3.0
59.01249	69.7
60.01555	1.2
61.58464	0.9
71.01251	58.9
72.01573	1.0
72.99173	5.6
73.02824	4.3
81.06953	2.0
83.01248	2.4
85.02823	8.3
87.00741	3.6
89.02311	52.0
93.03326	3.2
95.01244	2.5
96.95893	4.0
99.00740	1.5
99.04383	6.7
101.02319	26.1
109.02849	1.2
111.04390	4.1
113.02322	18.1
115.00253	25.2
116.00578	1.1
119.03381	23.4
120.35888	0.8
123.04315	0.8
125.02342	2.0
130.08630	1.0
131.03377	2.9
133.01320	11.9
133.02823	1.1
135.04411	4.1
137.02296	1.7
143.03404	5.5
147.04364	1.2
149.04462	4.9
151.00266	0.9
151.07457	1.2
161.02380	1.6
161.04431	6.4
161.13271	17.3
162.13538	1.1
165.05312	0.9
173.04509	7.1
175.03911	1.3
179.03413	1.9
179.05534	17.9
179.07074	0.6
179.09286	0.7
185.08200	0.8
187.11200	3.5
191.03828	1.3
191.05533	8.9
193.04900	1.4
205.12268	49.8
206.12613	2.9
207.10049	0.8
249.11290	57.5
250.11621	5.0
279.15955	0.9
303.52164	0.9
327.15790	0.9
337.09488	1.1
353.06549	2.8
360.92599	0.9
385.18481	4.1
413.18073	1.7
424.89771	0.8
424.98203	0.8
429.17621	100.0
430.17978	12.6
501.34531	1.3
545.18756	2.5
545.26544	3.8
565.41412	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62276	1.5
56.58693	1.5
57.03326	1.6
58.00463	3.3
59.01250	80.3
71.01250	65.2
71.57985	1.6
71.58476	2.3
72.99184	5.0
73.02821	5.3
76.20345	1.6
83.01245	2.7
85.02812	16.9
87.00745	6.1
89.02315	59.9
90.02620	2.1
91.75307	1.6
93.03336	7.8
95.01276	4.7
96.95876	22.0
99.04391	6.2
101.02304	24.0
108.01971	1.6
109.02885	4.5
111.04408	3.1
113.02313	19.1
115.00248	28.7
119.03389	22.0
119.04886	1.5
125.02361	1.9
125.73951	1.7
127.03903	3.0
131.03391	5.2
133.01329	10.2
135.04414	4.1
137.02290	2.1
143.03372	5.7
146.03601	7.4
147.04411	10.4
149.04463	3.9
159.04364	2.2
160.01558	2.7
161.02419	2.4
161.04486	6.6
161.13251	20.1
173.04454	10.3
175.03879	3.8
179.03439	2.1
179.03952	2.3
179.05531	17.0
179.07010	3.1
187.11221	4.2
191.03748	2.4
191.05533	49.8
192.05925	3.4
205.12265	46.2
206.12805	2.2
212.43176	1.7
223.13443	3.1
229.01276	9.0
230.01823	2.1
237.05667	4.0
249.05591	4.4
249.11282	63.8
250.06204	2.1
250.11636	3.1
252.04253	1.7
265.05035	10.6
266.05798	38.6
267.06430	7.7
267.12424	1.9
268.07031	1.9
277.05005	4.0
281.08206	17.0
283.09558	3.5
283.94809	1.9
284.03232	1.9
293.04593	4.1
294.05359	9.9
306.07556	2.3
309.07739	11.4
327.08658	4.3
338.04028	1.8
353.06635	100.0
354.06989	14.1
356.49039	1.9
371.07718	2.0
371.15958	2.0
385.18698	3.8
429.17621	84.4
430.17795	12.5
545.18616	2.7
545.26038	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	26.5
61.98712	5.8
69.55820	0.9
71.01247	13.8
71.07405	1.8
72.99194	2.0
73.02822	8.7
75.00694	0.9
81.03340	1.4
83.01262	2.1
83.04887	1.8
85.02827	9.0
87.00746	3.7
89.02319	8.3
93.03323	5.0
95.01219	1.0
96.95891	7.0
99.00755	1.2
99.04404	1.3
101.02313	9.2
109.02813	2.9
111.04423	1.6
113.02299	4.3
115.00231	2.7
119.03373	3.3
119.04900	1.0
122.06123	0.9
123.04392	1.3
127.03886	1.3
128.03317	0.9
129.03334	1.1
132.04422	3.2
133.01328	1.1
133.02817	2.3
134.03580	1.3
134.06030	2.0
135.04401	3.0
137.02304	1.3
145.02837	2.8
145.54910	0.9
146.03648	5.4
147.04417	12.0
149.04422	1.4
151.00215	2.0
155.03418	1.5
157.02838	1.2
159.04388	2.3
161.02303	1.5
161.04433	2.3
163.79320	0.8
164.04648	1.2
173.04498	6.8
175.03899	1.6
177.01865	1.4
178.99695	1.6
179.03381	3.1
179.05533	1.4
179.07062	1.6
184.59319	0.9
191.03754	1.8
191.05534	45.7
192.04169	0.9
192.05858	2.3
205.12256	4.0
209.05977	2.0
221.06107	2.8
223.13382	2.1
224.04770	1.1
225.05417	0.9
229.01401	8.5
233.15410	1.1
237.05530	3.5
238.06273	3.3
239.03316	0.8
239.07043	1.4
240.04120	1.8
243.09840	2.9
248.04698	1.3
249.05431	4.7
249.11293	3.7
250.06230	2.5
251.03400	1.0
251.07051	2.4
252.04257	2.2
265.05035	12.8
266.05817	41.3
267.06509	11.5
267.12354	3.9
268.07263	2.6
271.02554	1.7
276.04330	1.9
277.05170	4.3
277.07919	0.8
279.11401	1.3
281.08160	18.0
282.08508	1.4
283.09787	2.8
293.04510	5.2
294.05298	11.3
295.06085	11.3
296.06451	1.6
299.01996	2.7
299.09311	1.1
300.02545	2.7
300.09366	0.9
301.03448	1.7
309.04291	1.9
309.07648	13.3
310.08038	1.2
319.02472	1.0
321.04065	1.6
323.10452	1.1
325.02756	1.2
325.06940	1.5
327.08862	5.1
330.86862	1.1
337.03445	1.0
338.04150	2.0
339.04980	8.3
347.14951	2.8
352.82507	0.9
353.06641	100.0
354.06979	10.4
365.04062	1.6
371.07840	1.5
429.17612	5.7
463.08737	1.4
480.18390	0.9
545.10602	1.2
545.18933	5.5
545.25592	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	543.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55503	0.9
59.01249	100.0
60.01594	0.8
60.96388	0.9
71.03593	0.9
71.58580	1.3
75.80327	0.8
78.95756	1.0
80.97338	1.0
100.31957	0.8
115.43164	0.9
131.03429	1.3
178.88208	0.9
213.14909	2.8
357.29974	1.2
522.24445	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83798	0.8
54.07031	0.8
57.05898	0.8
59.01235	4.0
65.00183	4.4
71.01258	2.6
73.02827	1.0
83.01252	2.5
85.02815	1.5
89.02322	1.4
92.54424	0.8
93.03337	1.5
95.65554	0.8
95.70910	0.8
98.19800	3.6
99.04424	0.9
101.02320	1.4
101.73205	0.8
107.01257	7.2
109.02869	1.5
119.03362	1.0
121.02855	2.1
124.01516	1.1
125.02323	4.2
133.01326	1.7
133.02806	0.9
135.00700	1.2
145.02823	1.0
147.00795	1.4
147.03178	1.6
150.99115	1.8
151.00267	25.0
152.00986	2.7
158.02194	1.0
160.03908	4.2
161.02316	5.3
163.00262	2.5
169.01328	3.6
170.02377	1.2
171.04436	1.0
173.04494	1.9
175.03891	2.0
178.99791	15.6
183.04448	1.1
185.02397	1.4
186.01852	1.7
187.00197	1.2
187.02614	3.6
188.03354	1.6
191.05580	4.8
199.03951	4.9
203.03528	1.2
205.12267	1.2
211.04036	1.3
214.01237	1.2
215.03404	2.3
227.03494	6.5
228.04332	1.1
230.46704	1.5
241.05049	1.6
243.02953	10.5
245.04437	1.5
249.11131	1.3
251.03574	1.1
255.02930	11.2
256.03561	2.6
266.05981	2.1
267.02960	3.4
268.03809	0.9
269.04395	1.0
271.02457	30.6
272.03146	13.4
273.03827	3.3
276.98639	0.9
282.04178	1.6
283.02493	3.9
284.03165	1.9
285.03955	2.5
293.03061	0.9
294.04050	7.4
295.02411	11.6
296.03003	1.5
297.03748	1.4
299.01935	83.8
300.02612	22.5
301.03494	19.6
302.03732	1.9
310.03595	6.5
312.02621	3.4
313.03406	8.1
314.04211	2.8
322.03513	16.3
323.03967	2.3
324.05023	2.9
339.03790	56.8
340.04562	45.3
341.04681	3.1
353.06635	8.5
364.04175	1.3
429.17090	1.4
477.10394	9.9
478.10519	1.5
480.35538	1.1
484.08942	1.0
502.09897	6.7
503.09064	2.2
504.08997	15.5
505.09525	2.6
517.09601	2.4
544.10907	100.0
545.11298	13.1
545.19043	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.2
57.03325	1.5
58.00464	0.9
59.01247	100.0
60.01590	1.2
61.98712	0.5
68.99702	0.3
69.03331	0.6
71.01249	28.8
71.04870	0.4
71.12223	0.3
71.35487	0.7
71.35863	0.4
72.01647	0.5
72.99183	1.3
73.02816	8.6
75.00714	0.4
81.03325	0.4
83.01250	3.5
83.35654	0.3
85.02818	10.5
85.99963	0.4
87.00751	2.1
87.04386	3.3
88.04738	0.3
89.02311	15.9
90.02701	0.3
93.03345	0.7
95.01250	3.6
96.95893	1.2
97.02859	1.0
99.00747	2.6
99.04373	0.4
101.02321	18.0
101.70837	0.3
102.02673	0.5
104.10825	0.3
109.02847	0.4
111.00774	0.4
112.01572	0.3
113.02322	18.8
114.02660	0.5
119.03389	6.9
119.29442	0.3
123.44337	0.3
125.02324	1.5
131.03429	1.0
133.02863	0.4
135.04453	0.3
143.03406	2.6
145.04994	0.4
149.04436	0.7
159.02936	1.0
161.04442	7.7
163.06102	0.4
173.04510	0.7
179.05513	2.7
179.06848	0.4
191.05598	1.1
249.14948	0.8
321.24017	0.4
339.25488	1.2
435.28320	0.3
447.27731	1.0
455.29932	0.4
457.87939	0.3
465.28461	1.6
466.29428	0.3
483.29581	23.4
484.29956	3.5
501.30679	12.5
502.31079	2.2
511.13776	0.3
543.31879	1.4
544.32007	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53094	0.7
56.40450	0.6
59.01250	67.0
69.88103	1.1
69.88458	3.4
70.70042	0.6
71.01254	1.5
77.94143	0.6
78.95760	1.6
89.02332	3.2
91.89465	0.8
98.20582	0.7
103.00197	0.7
149.04449	2.0
152.99532	0.9
160.84067	0.7
162.83771	1.2
167.01083	0.7
223.08157	4.5
255.23282	2.7
277.21713	100.0
278.22031	6.6
298.83859	0.7
478.69678	0.7
543.22705	0.7
543.31866	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50100	0.9
54.78145	1.0
59.01250	100.0
71.01251	2.2
71.37852	1.3
71.38187	1.1
78.95770	9.7
80.96403	1.6
82.56004	0.9
89.02324	1.6
96.95894	6.6
110.98418	2.2
127.03959	0.9
129.95129	0.9
131.03300	1.1
160.84047	1.8
162.83870	2.6
167.01060	3.2
173.04401	1.1
178.94226	1.2
223.08092	5.4
277.21704	88.3
278.22043	7.6
304.09894	1.1
356.68192	1.0
443.48868	1.4
445.23621	2.0
543.20190	3.4
543.27368	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	541.3015
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
55.01758	0.5
57.03328	0.6
58.00465	1.0
59.01248	100.0
60.01581	1.0
61.98692	0.1
69.03323	0.4
71.01250	24.1
71.11957	0.1
71.12282	0.2
72.01601	0.3
72.99187	1.2
73.02814	9.3
74.03150	0.1
75.00746	0.3
75.56398	0.1
81.03339	0.1
83.01252	2.8
83.01707	0.2
83.04900	0.2
83.70950	0.1
85.02822	5.6
87.00742	1.1
89.02313	21.0
90.02651	0.3
95.01261	2.0
96.95886	0.1
97.02834	0.4
99.00742	0.6
101.02319	14.8
102.02644	0.2
113.02325	16.8
114.02651	0.4
119.03384	8.9
125.02325	0.5
125.09453	0.1
131.03377	1.6
143.03403	2.5
147.02893	0.1
149.04453	1.3
161.04456	4.6
169.89667	0.1
173.04437	0.3
179.05524	4.4
180.05785	0.2
191.05490	0.3
191.19408	0.1
221.06596	0.1
251.16365	0.2
251.54276	0.1
254.76884	0.1
283.20700	0.2
319.22659	0.3
337.23810	0.2
470.54123	0.1
481.28061	2.2
482.28094	0.3
499.29095	2.0
541.30573	0.2
554.14447	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	541.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90877	1.2
59.01251	8.8
60.99168	15.0
66.24559	1.2
69.34389	12.8
71.01244	3.7
72.99164	2.6
81.03299	1.7
83.04876	3.0
85.02807	2.1
87.83409	1.4
88.00280	7.5
88.98673	100.0
89.02308	13.4
93.03319	2.4
96.95884	4.7
98.10228	1.4
101.02331	2.9
113.02299	2.2
135.04407	2.6
137.02269	2.4
151.00172	1.4
159.67996	1.3
173.04382	4.4
179.03374	2.7
191.03493	1.6
191.05476	6.4
205.23994	1.5
269.51111	1.5
321.70908	1.8
355.60913	1.8
449.31226	3.2
465.30798	2.3
481.33414	3.2
542.09174	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	543.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.7
57.03350	0.6
59.01247	4.8
68.99685	2.6
71.01250	4.8
71.58156	0.8
72.99184	0.9
73.02807	1.4
75.00779	0.9
75.96452	0.7
78.11659	0.5
80.60896	0.8
82.59901	0.5
83.01251	5.4
85.02820	5.7
87.00755	2.2
89.02319	1.9
91.05376	0.8
93.03342	2.5
95.01292	1.1
96.95885	4.1
97.02835	0.7
99.00730	3.5
101.02327	2.0
109.02869	0.7
111.00755	1.6
113.02325	4.6
113.99469	8.5
115.00281	3.5
117.03327	0.9
119.04903	9.5
120.05270	0.7
121.02838	12.7
123.04435	0.7
125.02366	0.6
127.00266	1.5
129.01840	1.2
132.02042	1.9
134.03679	1.1
135.04398	1.9
137.02368	1.1
139.00249	1.7
144.86365	0.6
145.02844	1.0
147.04405	6.2
149.02341	85.5
150.02737	2.6
157.01332	3.7
157.12538	0.7
163.03928	9.9
164.04692	59.4
165.05042	2.2
169.01251	0.9
173.04463	2.6
174.01576	4.5
175.02487	1.3
175.03856	0.9
179.03416	1.5
179.07004	4.8
179.56642	0.7
191.03525	1.3
191.05516	2.9
193.04900	0.8
208.03728	1.5
215.78603	0.6
223.06055	64.1
224.06483	3.1
249.07643	0.8
249.11330	0.8
265.07269	1.2
277.05606	14.0
319.06607	1.3
325.09473	0.9
337.07733	100.0
338.04117	0.9
338.08054	6.3
368.01532	0.7
380.06882	0.8
411.12817	0.8
543.13470	42.0
544.13770	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	539.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00446	1.8
59.01250	34.7
62.89828	1.8
71.00889	3.3
71.01249	43.1
71.27739	3.2
71.28078	2.9
72.99175	3.2
75.89766	1.9
78.95766	6.7
85.02821	7.6
87.00761	10.6
89.02317	61.1
89.19539	2.0
96.96807	3.4
99.00787	3.0
101.02316	24.1
104.85551	1.9
106.37601	2.1
110.52992	2.0
113.02337	23.1
116.91636	2.0
118.84573	2.0
119.03372	9.4
141.19356	2.0
143.03354	5.4
143.04446	2.7
149.04491	4.0
159.02946	2.1
161.04408	8.7
179.05521	35.6
193.16460	2.2
221.06602	10.5
282.98935	2.1
323.09845	9.8
341.10803	4.4
362.17694	2.7
377.08566	8.7
503.16180	100.0
504.16336	9.8
539.13776	71.5
540.14453	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	539.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29950	0.2
57.03313	0.3
59.01250	6.8
60.01580	0.2
61.98674	0.3
70.60094	0.2
71.01254	2.4
71.58090	0.3
72.99162	0.2
73.02810	0.9
78.71269	0.2
78.91740	0.3
78.95792	0.4
81.03344	0.2
83.01240	0.7
85.02857	0.9
85.03290	0.2
87.00732	0.4
89.02316	1.5
90.21529	0.2
93.03323	0.5
96.95877	0.8
98.02311	0.2
99.00742	0.2
101.02320	1.5
108.02069	1.0
109.02841	1.0
110.02229	0.2
113.02367	0.9
119.03418	0.3
121.02798	0.3
123.04450	0.3
125.02353	0.2
129.07056	0.4
134.03635	0.3
135.04401	0.7
137.02385	0.3
141.01610	0.3
143.03362	0.2
144.05637	0.3
149.02385	0.4
149.04436	0.6
152.01062	1.5
153.01790	0.3
155.03400	0.4
161.02350	0.6
161.04460	0.6
165.05457	0.2
167.03358	0.3
172.05196	2.2
173.04507	1.0
173.05974	7.0
174.06313	0.5
177.01765	0.2
179.03418	0.4
187.64168	0.2
188.04645	0.2
191.03688	0.2
191.05525	1.0
208.03674	0.2
211.13293	0.3
215.07077	100.0
216.07426	6.9
223.06146	0.5
328.05768	0.3
331.88315	0.2
361.16382	0.2
479.25290	0.5
497.27182	0.3
538.33344	1.1
539.17456	2.3
539.24774	0.3
539.34033	1.3
557.92596	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3279
Annotation	Virenamide A
Peak:m/z	Relative Intensity
55.01740	0.8
57.03316	1.0
58.00448	0.6
59.01248	34.7
60.01582	0.4
63.22506	0.3
69.03319	0.4
69.12736	0.3
71.01249	13.1
71.58562	0.4
72.99174	1.2
73.02826	2.8
79.24973	0.3
81.03294	0.3
83.01243	1.9
85.02824	4.6
87.00753	2.9
88.98690	0.6
89.02312	8.6
93.03336	0.8
95.01252	0.9
95.44131	0.3
96.95869	0.4
97.02821	0.4
97.06464	0.6
98.02406	0.3
99.00741	1.0
101.02320	7.8
108.16677	0.3
113.02333	5.5
119.03376	2.9
121.83783	0.3
125.02354	0.7
131.03424	0.4
135.04424	0.8
137.09666	0.5
141.01656	0.4
141.12694	0.3
143.03403	0.7
147.08049	1.5
149.04433	0.9
155.10675	0.4
156.62299	0.3
157.12247	0.6
161.02303	0.6
161.04430	1.3
173.04442	1.0
179.05531	1.0
183.13803	0.4
185.11754	0.6
191.05560	1.0
195.13753	0.5
213.14925	4.0
214.15065	0.4
285.07187	0.3
315.19693	0.3
321.13605	0.4
323.09689	0.5
329.23303	1.2
333.20541	0.9
341.10898	4.7
342.11151	0.5
357.26404	5.1
358.26678	0.8
373.26062	0.6
375.27490	17.9
376.27747	1.8
405.21356	0.5
413.64896	0.4
440.41858	0.4
477.24548	0.8
477.30573	0.5
495.25839	0.8
519.31726	2.7
537.32764	100.0
538.33075	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	537.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	65.0
70.87244	1.9
74.80854	0.6
77.03836	0.6
83.04851	0.7
91.03881	1.5
92.23433	0.6
95.04905	1.8
105.03339	9.6
117.03333	0.8
121.02818	1.3
123.04379	1.5
125.09602	1.3
132.02048	5.8
133.02849	41.6
134.03664	10.0
135.04469	4.7
137.02306	2.3
145.06544	0.7
147.04366	1.3
148.05219	1.3
149.02365	0.8
149.05998	1.3
160.01566	30.7
161.02348	21.2
161.05994	1.7
161.88542	0.7
162.02763	1.1
171.10202	5.5
175.03918	79.2
176.04283	3.1
177.01828	2.8
178.02643	1.8
179.03412	3.1
186.03474	0.9
193.04977	6.6
204.11377	0.8
209.11940	0.9
211.13339	1.5
233.15501	1.7
247.09673	1.2
249.14894	3.3
269.21469	0.8
287.22260	10.8
288.22577	1.3
289.14374	2.7
319.15533	2.6
329.17627	0.7
361.20078	1.8
363.25327	1.5
369.24515	0.8
375.21405	1.1
377.27002	3.8
385.23721	1.8
387.25430	2.0
403.24866	1.2
431.24390	7.6
445.25903	21.8
446.26193	3.2
449.25403	2.3
459.27383	5.3
460.28006	0.8
463.26993	36.0
464.27338	4.5
469.19778	0.7
477.28461	7.4
478.28827	1.4
491.26358	0.9
522.28436	2.6
537.30658	100.0
538.30957	13.7
545.60120	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.1
69.88145	2.2
76.18568	0.4
77.03863	0.5
86.06999	0.4
89.02319	0.9
89.03853	0.4
91.03891	1.1
95.04917	2.1
105.03337	9.7
109.31744	0.4
109.99492	0.4
117.03338	0.9
121.02830	0.8
121.29061	0.5
123.04394	1.5
132.02060	5.7
133.02847	44.2
134.03661	10.5
135.04437	4.5
137.02315	3.6
139.03909	1.2
147.04457	0.6
148.05188	1.8
149.02414	0.9
149.05965	1.0
150.90630	0.4
151.03964	0.6
160.01569	33.9
161.02347	20.2
161.03705	1.0
161.04532	0.4
161.05867	2.3
162.02718	1.0
171.04471	0.5
175.03917	80.7
176.04250	4.2
177.01825	2.5
178.02603	1.9
179.03394	2.9
193.04971	6.8
194.02179	0.5
220.12154	0.5
233.08092	0.6
247.09709	1.4
261.11270	0.5
269.21191	0.7
287.22275	12.3
288.22583	0.7
289.14389	3.4
299.16617	0.5
319.15564	2.1
329.17435	0.8
343.19049	0.6
347.18570	0.6
359.22464	0.5
361.20267	2.1
362.24622	0.8
363.25375	2.6
364.25629	0.6
369.24326	1.0
375.21536	0.7
377.26868	3.7
387.25516	0.9
389.23138	0.7
430.23550	0.6
431.24292	10.1
432.24783	1.1
445.25922	25.5
446.25986	3.4
449.25363	1.6
463.27008	36.3
464.27335	5.5
522.28314	1.6
531.59106	0.5
537.30658	100.0
538.30975	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	537.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	6.0
56.17313	1.9
57.03326	8.0
58.00477	4.4
59.01251	92.7
66.56252	2.0
71.01252	79.7
71.58277	3.2
71.58635	2.4
72.99168	5.1
73.02813	24.6
75.00739	2.5
75.82433	2.0
78.95782	2.6
80.47202	1.8
83.01245	14.9
85.02827	39.9
87.00748	8.4
89.02310	24.9
92.04251	2.3
93.03310	4.0
94.09570	2.1
95.01271	8.1
96.95860	2.4
97.02809	4.2
99.00771	9.3
101.02324	69.4
113.02332	35.0
119.03391	8.4
120.01119	3.6
125.02356	4.4
129.09058	2.4
131.03403	3.9
135.04388	3.0
139.00159	1.8
143.03389	3.4
149.04488	5.7
159.02905	6.1
161.02440	3.3
161.04469	33.2
173.04524	4.9
179.03419	2.4
179.05536	3.7
189.09109	2.1
191.05530	6.7
208.03650	2.0
221.06563	2.8
315.17990	19.4
323.09692	2.3
354.59741	2.2
357.26370	3.0
375.20190	3.0
375.27530	11.3
453.10718	2.0
477.23434	100.0
477.30096	4.7
478.23706	13.1
537.25397	34.3
537.32733	73.1
538.25812	4.2
538.33380	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	537.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	3.3
57.03320	4.3
58.00460	3.7
59.01248	85.2
60.01593	2.1
61.98701	2.2
69.03322	1.9
71.01251	49.5
72.99180	5.4
73.02820	15.6
75.00722	1.4
78.95744	1.7
79.17944	1.3
81.03293	2.6
83.01250	9.9
85.02822	18.6
85.06466	2.4
87.00758	6.6
89.02315	31.3
93.03342	3.9
95.01247	3.2
95.11405	1.4
96.95908	4.5
97.02847	2.0
97.90161	1.3
98.19782	3.5
99.00733	7.9
101.02321	35.2
103.03889	4.5
111.00730	2.9
111.04457	1.3
113.02312	16.0
119.03383	11.4
125.02335	4.2
131.03391	6.2
135.04398	4.5
137.02303	1.8
143.03433	2.5
149.04428	5.3
151.00290	1.6
151.11136	1.5
155.14357	7.9
157.12383	1.4
161.02364	3.1
161.04474	3.9
163.06059	10.6
171.45692	1.2
173.04485	7.0
179.03308	1.5
179.05612	1.6
181.15883	3.8
191.03772	1.6
191.05515	9.1
199.13310	16.7
201.14909	6.8
205.07140	2.1
213.14943	1.8
223.17105	1.4
225.15027	6.5
229.64746	1.5
230.24275	1.4
261.09399	1.3
329.23511	1.9
331.17462	1.3
335.07587	1.9
345.19183	3.2
357.26389	4.2
363.20239	7.8
373.25821	1.8
375.27487	12.3
405.21274	100.0
406.21588	10.7
473.55942	1.5
477.23575	5.6
477.30576	6.1
495.25522	1.9
495.31775	2.6
519.31897	2.4
536.31567	1.9
537.25372	44.0
537.32678	73.1
538.26147	7.6
538.32367	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	537.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93109	0.6
55.01755	0.8
57.03314	2.2
58.00459	3.6
59.01249	100.0
60.01589	1.0
69.03327	2.5
69.47597	5.4
71.01250	36.0
72.01599	0.8
72.02047	0.7
72.98831	0.6
72.99181	3.7
73.02818	21.3
81.03340	0.9
83.01254	4.5
83.04858	0.6
85.02819	12.6
85.99995	0.8
87.00756	6.9
87.04411	2.6
89.02316	36.1
90.17771	0.5
93.03369	0.8
95.01280	0.9
95.20193	0.6
97.02853	1.8
99.00772	1.8
99.04409	0.8
101.02321	53.0
102.02683	1.1
103.03884	16.4
104.04206	0.7
109.02837	0.7
113.02317	10.1
113.03032	0.6
115.03901	6.1
119.03386	15.3
119.04224	0.8
125.02353	4.3
127.03904	1.5
131.03387	9.9
134.03697	0.9
143.03403	10.4
145.04962	5.4
149.02449	0.9
149.04472	2.2
161.04491	1.8
163.06032	70.3
164.06412	2.1
179.05615	1.8
181.04982	1.1
191.05556	1.2
193.05009	1.0
205.07115	23.8
206.07579	0.8
225.11348	2.3
235.08255	1.3
243.12183	0.7
251.66734	0.6
265.09247	7.4
310.61356	0.7
316.34021	0.6
331.17654	2.5
332.32300	0.8
349.03397	0.6
398.68503	0.6
405.17215	0.8
436.81360	0.7
477.23456	12.8
478.23816	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	537.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.0
57.03313	1.8
58.00464	2.4
59.01247	94.6
63.02250	0.7
65.00192	2.1
66.83942	0.7
68.93447	0.8
68.99677	0.7
69.03318	1.6
71.01251	36.5
71.58078	1.2
72.65334	0.8
72.99179	5.2
73.02814	24.6
81.03342	0.9
82.41019	0.8
83.01258	2.7
84.62106	0.7
84.85592	0.9
85.02819	14.2
85.99976	1.5
87.00745	8.6
87.04397	3.4
88.01047	0.8
89.02312	34.9
93.03345	3.0
95.01258	2.9
96.95879	13.2
97.02825	0.8
99.00749	1.6
99.04413	1.1
101.02316	59.3
102.02695	1.3
103.03877	22.3
107.01273	1.8
109.02830	2.3
110.00041	0.9
111.00771	1.6
111.04379	0.7
113.02329	7.8
115.03867	5.6
119.03386	14.6
123.00768	1.9
125.02302	5.9
127.03889	2.3
131.03381	10.8
133.02846	1.9
135.04417	2.1
137.02303	2.4
139.00255	3.4
141.01830	0.8
143.03391	12.9
145.04973	7.8
147.00793	0.8
147.04445	0.8
149.02303	1.5
149.04405	1.8
151.00285	6.2
152.01041	1.4
153.01807	1.2
153.98923	0.9
154.99791	2.6
159.04407	0.9
161.04459	2.2
163.06023	100.0
163.45518	0.8
164.06374	2.5
165.01797	1.1
165.98972	1.4
166.99667	0.9
169.01366	2.3
171.04405	0.9
173.04451	2.6
175.03899	1.5
175.07451	0.8
177.01784	1.5
178.99791	4.3
179.03401	2.6
179.05542	2.4
181.98578	1.4
187.03926	2.0
190.02634	0.7
191.03499	4.8
191.05385	4.2
193.01404	1.5
193.04752	0.9
194.99361	1.1
199.03925	0.9
203.03468	2.2
205.07100	27.7
206.07491	0.9
207.03130	0.7
213.01793	0.8
215.03484	1.5
217.01297	1.1
217.05017	0.9
219.03067	1.0
222.98959	1.0
225.11137	1.2
231.02928	1.8
231.13399	1.1
232.03729	1.8
243.03023	3.2
245.00922	1.0
245.04457	1.0
258.01727	1.0
259.02411	1.7
265.09296	8.5
271.02438	4.4
285.11374	0.8
287.01971	8.7
288.02505	2.4
295.10266	0.9
297.00275	1.9
314.00891	1.0
315.01450	20.3
316.01862	2.4
317.03073	0.9
325.11343	1.0
331.17557	1.3
332.01669	6.1
333.02417	2.6
334.02756	0.8
385.07819	1.3
405.12125	1.4
405.17020	1.0
405.25211	1.3
477.23340	11.9
478.24005	1.6
495.08426	0.9
509.09381	0.9
519.08002	1.4
537.08728	12.0
538.09412	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27998	3.5
57.03356	4.1
58.00458	4.6
59.01254	86.8
61.98708	18.2
62.45136	3.6
69.04800	3.9
71.01253	48.8
71.58090	4.6
72.01577	3.3
72.99175	6.5
73.02829	19.3
75.43961	4.1
76.57671	4.1
83.01272	6.6
85.02827	12.7
87.00763	5.9
89.02312	64.5
93.03352	16.4
96.95902	8.7
99.00755	16.0
101.02328	45.8
111.04409	6.3
113.02335	15.2
115.84962	4.3
118.97963	3.9
119.03389	9.2
121.02837	4.2
123.04484	5.5
125.02309	10.9
128.03387	5.3
131.03389	21.6
134.03656	5.2
134.84485	3.6
135.04382	9.2
137.02353	7.9
143.03368	7.4
149.02403	6.7
149.04468	100.0
151.00269	6.0
158.49419	4.0
161.02316	8.0
161.04474	12.4
163.03886	5.6
163.06081	5.1
165.05516	5.2
169.01364	7.5
173.04536	19.0
179.03397	14.5
189.68407	3.6
191.03194	4.7
191.03795	4.7
191.05537	35.7
199.03781	5.1
205.05061	7.2
205.06830	3.8
221.06616	8.1
248.40916	3.9
251.07674	14.9
287.01984	8.7
311.09851	13.5
315.01398	9.4
361.16333	4.9
404.32486	4.1
405.24933	10.6
493.16150	8.8
505.13434	5.6
523.02191	4.8
537.20801	84.4
537.32758	14.6
538.21210	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	3.7
59.01250	72.9
60.01586	5.9
60.99175	10.4
69.03323	3.0
69.38546	6.9
69.38943	22.3
71.01250	47.8
72.01583	4.2
72.99186	5.6
73.02817	5.4
75.87019	3.1
81.03354	2.8
83.01230	5.2
85.02841	17.6
87.00735	3.4
88.98672	47.0
89.02325	41.6
90.02671	5.2
91.02773	3.5
93.03344	16.1
95.01270	8.0
96.95854	6.4
97.02823	8.2
99.00745	3.9
101.02317	23.5
108.02054	12.2
109.02814	15.8
111.04407	7.3
113.02325	22.3
114.02703	3.9
119.01295	4.6
119.03392	13.9
119.04919	7.5
120.03745	4.5
121.02843	42.3
121.06509	4.3
122.03645	19.6
123.00735	6.2
123.04430	19.9
124.01556	12.9
124.04843	3.3
125.02347	7.8
133.02840	8.5
133.06508	8.3
134.03616	12.3
135.04411	32.1
136.01540	6.0
136.05151	10.6
137.02307	26.1
138.03101	12.8
146.03613	31.0
147.04416	22.3
149.02364	8.7
149.04419	4.2
149.05983	9.4
150.03146	12.3
151.03951	24.1
153.01851	10.3
153.05447	5.6
154.02620	9.8
156.18076	3.0
159.04375	5.5
160.05116	6.3
161.04622	6.2
161.05981	27.2
163.03888	12.8
164.04681	30.6
165.05486	47.8
168.04190	9.8
173.04524	16.0
173.05878	5.1
175.03926	7.9
175.07556	5.9
177.04034	3.4
177.05424	14.4
178.02655	7.1
179.03563	15.4
179.05566	7.0
179.07051	100.0
180.04042	3.5
180.07353	3.5
191.03574	4.7
191.05554	23.4
191.07053	6.3
193.05042	15.0
194.05716	3.4
195.06548	5.9
209.08206	4.8
221.07985	5.4
223.06268	4.6
223.09683	8.5
231.85426	3.1
235.09729	3.6
312.10010	3.3
315.12488	5.9
317.79117	3.4
327.12210	5.9
329.14014	10.6
330.10876	3.3
331.11868	4.1
344.12537	5.4
345.13428	13.5
346.14032	12.1
347.14938	17.7
348.15137	5.5
357.14084	4.5
359.14871	6.2
361.16568	99.8
362.16989	17.1
373.14029	3.6
374.71506	3.4
375.10513	4.0
375.14661	9.2
378.13297	6.1
383.07852	4.0
392.14890	35.1
393.15372	27.9
405.24896	3.3
520.16003	3.2
537.15845	3.4
537.27130	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	537.088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37293	0.8
57.03331	0.8
59.01250	11.4
63.02250	1.8
65.00188	4.7
67.01758	1.9
67.40630	0.8
68.99677	1.4
71.01258	7.4
71.58198	1.0
73.02817	3.4
78.36075	0.7
81.03323	1.0
83.01250	3.6
84.45586	0.8
85.02826	1.8
89.02309	3.0
93.03330	1.9
95.01270	3.2
96.99192	2.2
99.00798	1.1
101.02311	4.3
102.28398	0.9
106.00484	1.0
107.01270	5.7
108.02063	1.0
109.02825	5.1
109.99969	3.1
111.00771	3.5
113.02352	1.8
119.04950	1.3
121.02819	1.9
123.00755	5.6
124.01549	1.7
124.98692	2.5
125.02316	3.6
125.99485	0.9
133.02840	2.0
135.00766	2.3
135.04387	2.2
136.98695	2.5
137.02335	3.0
137.99463	1.6
139.00290	9.8
140.01048	1.3
141.01840	1.3
143.04927	1.9
145.02858	1.6
146.18419	0.8
147.04405	1.0
148.01527	1.1
149.02338	4.0
149.04390	1.5
149.99524	1.6
150.99103	1.4
151.00272	18.4
151.03842	0.9
152.00966	2.7
153.01852	1.1
153.98972	1.9
154.99744	6.6
159.04404	4.5
161.02347	2.6
161.04459	1.0
163.00256	3.2
163.03902	1.8
163.05978	0.9
164.01015	1.5
164.98247	1.9
165.01872	3.3
165.99013	3.8
166.99756	3.1
168.00504	2.3
169.01311	3.5
171.04399	2.3
173.02318	1.1
173.04427	2.4
174.03154	1.4
175.03920	2.2
176.00998	1.5
177.01852	3.4
177.98996	2.5
178.99785	15.0
179.03342	1.6
180.00328	1.3
181.01266	1.5
181.98517	3.9
183.04547	0.9
185.02342	1.5
186.56647	0.9
187.03932	7.7
189.01834	3.1
189.05687	1.1
191.03362	2.5
191.05508	1.2
192.00592	1.9
193.01352	4.8
194.99266	3.0
198.03099	1.3
199.03941	4.1
201.01781	1.6
203.03433	10.0
205.01434	1.2
206.99272	1.2
207.02936	1.0
208.00125	0.9
209.00743	1.1
213.01849	2.4
214.02686	1.4
215.03508	6.9
216.04048	1.2
217.01364	4.6
217.04984	1.7
219.02902	3.0
227.03513	1.8
229.01361	1.6
230.02187	1.9
231.02969	12.5
232.03641	3.9
233.04480	3.4
241.01424	1.7
242.02100	1.4
243.02975	10.6
245.00894	3.0
245.04500	2.5
247.02486	1.9
255.02979	1.2
257.00995	1.6
258.01633	2.6
259.02530	9.0
260.03159	2.1
261.03815	2.1
269.00806	2.0
270.18790	1.1
271.02478	12.4
286.01187	4.9
287.01956	45.1
288.02542	7.9
289.03528	3.4
297.00327	5.4
301.03427	2.4
303.01303	3.7
314.00656	1.7
315.01447	100.0
316.01724	9.2
317.03043	1.2
331.00772	1.0
332.01685	24.5
332.05521	1.8
333.02307	10.7
385.07755	1.9
401.07092	1.5
405.12277	1.1
437.10806	1.4
493.09845	1.9
495.07767	2.0
519.08124	3.6
537.08832	38.6
538.09277	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3122
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
55.01748	0.7
56.53814	0.2
57.03316	1.0
58.00468	0.7
58.03885	0.2
59.01248	16.0
69.03304	0.4
71.01251	8.7
71.22389	0.5
72.99178	1.0
73.02806	1.9
75.00730	0.6
76.16311	0.2
83.01258	1.9
85.02818	3.6
87.00750	1.2
87.04398	0.3
89.02314	4.2
90.59769	0.2
93.03336	0.5
95.01276	1.0
96.95881	1.6
97.02831	0.3
99.00745	0.8
101.02315	5.7
108.17989	0.2
111.00767	0.5
113.02322	3.0
119.03393	1.0
121.84112	0.2
123.08020	0.3
124.76548	0.2
125.02325	0.3
125.09577	1.2
127.11224	0.4
129.90504	0.2
131.41452	0.3
135.04384	0.4
136.71144	0.3
137.09596	0.3
141.09067	0.3
149.02280	0.5
153.09085	0.4
155.10635	0.5
161.02290	0.3
161.04449	0.3
164.04733	0.3
167.03424	0.4
171.10170	4.4
173.04468	0.7
179.05568	0.3
183.13768	0.2
191.05563	0.8
198.82768	0.3
201.14787	0.3
227.24422	0.3
327.21860	0.6
331.25049	0.4
335.75363	0.2
337.23831	0.3
343.24918	0.3
355.24814	3.4
356.25122	0.7
371.24652	0.4
373.25912	11.8
374.26007	1.4
387.27448	0.3
392.20709	0.4
415.27209	0.3
475.30002	0.9
486.45117	0.3
493.30374	0.4
517.30145	1.9
535.31201	100.0
536.31555	14.5
537.80475	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	17.6
61.98704	0.4
70.02837	0.3
71.01250	2.3
71.20441	0.4
71.20763	0.6
71.61629	0.3
72.99220	0.3
73.02804	0.7
76.43557	0.3
78.95771	1.4
80.08311	0.4
83.01237	0.4
85.02850	0.3
89.02321	2.0
93.34734	0.3
95.10051	0.4
96.95959	0.3
101.02322	3.0
113.02312	1.0
119.03359	0.6
139.30023	0.3
152.99467	2.5
161.04472	1.0
169.79681	0.4
179.05646	0.4
186.74535	0.3
221.18968	0.6
235.08199	1.5
239.20117	100.0
240.20444	7.4
253.09259	9.4
254.09636	0.5
279.23291	2.3
280.23590	2.2
388.83734	0.4
476.27768	0.7
477.27850	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3124
Annotation	glas#24
Peak:m/z	Relative Intensity
55.01743	1.0
57.03311	0.9
58.00455	1.2
59.01249	28.0
60.01589	0.3
61.98694	0.4
69.03329	0.4
69.29406	1.2
69.29823	1.9
71.01250	14.8
71.04893	0.6
72.99174	1.1
73.02821	3.9
75.00707	0.3
81.03331	1.0
83.01244	3.0
85.02819	5.0
87.00742	4.9
87.04379	0.3
88.03316	0.3
89.02311	6.6
93.03334	0.8
95.01266	0.9
97.02808	0.4
97.06437	0.4
99.00758	1.0
99.92439	0.3
101.02322	8.1
102.02671	0.4
108.09773	0.3
111.00729	0.3
113.02325	5.4
119.03382	2.3
121.02836	0.6
121.10111	0.5
123.04408	6.2
123.76956	0.3
125.02337	1.5
125.09595	0.8
131.03384	0.7
134.03676	0.5
135.04384	0.7
139.11194	0.4
141.12711	0.5
143.03407	0.4
149.02251	0.4
149.04410	0.6
151.00208	0.4
155.10649	0.9
157.08527	0.4
157.12244	0.7
161.04478	1.4
163.03864	0.3
167.03407	17.0
168.03745	0.9
169.12282	0.8
169.28955	0.3
171.10178	1.1
173.04507	0.8
179.03368	0.6
181.04912	0.7
185.11710	1.6
191.03406	3.4
191.05373	0.8
192.03751	0.3
201.11255	0.6
209.04480	1.2
215.12825	4.3
223.05864	0.3
255.02856	0.6
298.04755	0.6
313.07208	0.8
313.23871	0.9
325.23840	0.6
331.17767	0.8
331.24973	1.8
337.23749	0.8
341.23401	0.4
343.24854	2.7
353.08670	0.5
353.23544	0.5
355.24890	9.3
356.25336	1.1
373.25922	15.1
374.26285	1.4
475.28986	1.6
493.22855	1.1
493.30225	2.4
517.29846	0.9
535.31213	100.0
536.31573	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	535.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.8
73.93208	1.5
78.04734	1.3
78.95765	5.5
91.03905	1.3
95.04887	2.4
98.19739	2.6
105.03339	8.3
132.02049	6.2
133.02852	38.3
134.03642	15.0
134.54852	1.2
135.04385	5.1
137.02324	5.0
139.03902	3.0
148.05214	2.2
148.24133	1.6
149.05954	2.2
152.99486	7.5
155.36850	1.4
160.00223	2.2
160.01572	41.8
161.02370	18.9
161.06007	3.6
175.03929	96.6
176.02635	1.5
176.04225	5.7
177.01863	2.6
178.02657	2.7
179.03401	4.6
193.05020	8.7
233.08263	2.8
247.09706	4.1
261.11273	3.0
275.12814	3.4
285.20624	15.8
289.14572	3.6
345.17014	6.3
361.23837	2.3
375.25403	4.9
429.22772	8.7
430.22797	2.2
443.24338	26.9
444.24869	3.4
461.25427	42.2
462.25674	5.3
535.29083	100.0
536.29462	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	535.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49586	3.4
57.03311	5.6
59.01249	100.0
61.98708	5.4
64.56708	2.9
71.01247	32.2
71.07805	5.7
72.99188	7.7
73.02821	12.2
79.92570	2.9
80.13766	2.8
83.01270	5.4
85.02833	13.4
87.00751	14.0
89.02318	11.7
96.95873	5.4
99.00789	3.3
101.02309	23.5
113.02335	9.8
113.09644	3.4
125.02376	4.1
127.11108	3.3
157.12239	3.4
196.85498	3.8
204.16119	3.3
212.09477	3.0
269.20972	5.5
287.22287	38.1
313.23926	7.8
329.23141	5.7
331.24866	56.3
332.25223	4.1
373.55441	3.5
408.27121	3.5
431.26395	21.6
432.26773	5.2
435.74930	3.1
449.27628	41.4
450.28033	6.4
458.72733	3.7
475.28998	11.8
476.29300	4.3
491.28683	87.6
492.28793	12.0
493.30133	20.6
521.26062	3.2
535.31421	91.1
536.31708	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	535.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	20.4
59.99520	8.2
71.50095	10.5
78.95769	68.5
90.32091	8.8
152.99469	100.0
156.97249	7.4
171.67006	8.2
177.29187	10.6
187.79584	8.3
196.29814	8.9
211.54002	9.5
263.20111	11.8
278.21960	20.5
337.74536	8.4
411.09058	9.3
475.26477	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.98693	6.2
69.03331	2.6
71.01256	38.0
71.58414	4.4
71.66878	2.6
72.99165	4.1
73.02815	12.1
82.30923	2.7
83.01210	5.0
85.02840	16.9
87.00727	12.5
89.02319	7.8
93.03333	5.7
96.95896	4.8
99.00757	4.3
101.02308	20.2
113.02328	10.9
119.03371	5.1
124.01524	2.8
125.08396	2.6
127.11146	3.6
133.02885	3.5
135.04353	3.9
147.04370	3.3
149.04396	4.3
149.05809	2.5
155.10768	2.6
161.02324	3.8
173.04430	7.4
191.05545	7.1
269.21252	3.5
287.22308	45.7
313.23737	8.9
330.23438	2.8
331.24838	40.2
431.26535	19.6
449.27444	33.7
450.28015	4.5
475.28772	7.7
491.28595	83.1
492.28931	14.0
493.30368	22.7
535.31506	85.3
536.32202	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	535.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23122	0.4
55.01764	1.5
57.03310	2.1
58.00467	3.5
59.01247	100.0
60.01582	1.3
69.03313	0.9
69.52992	2.0
69.53403	1.4
71.01249	61.6
72.01598	1.0
72.99184	5.3
73.02814	10.8
74.02352	0.6
75.00743	1.0
83.01254	4.7
83.04889	0.5
85.02821	17.1
86.03201	0.5
87.00735	4.3
88.98675	0.7
89.02312	59.1
90.02656	1.2
93.03345	1.3
95.01260	4.6
96.95863	1.0
97.02802	0.7
99.00767	2.1
99.04398	0.6
101.02316	35.2
102.02666	0.8
109.02827	0.5
113.02325	37.9
114.02670	0.8
119.03382	25.7
120.03681	0.6
121.02789	0.5
125.02296	1.6
128.03392	0.5
131.03387	2.9
135.04439	2.3
137.02312	0.8
143.03404	5.2
143.04439	0.8
149.04460	3.3
155.03563	0.5
159.02821	0.6
161.04469	9.4
161.05795	0.8
164.04655	0.6
165.05374	1.0
173.04424	1.8
179.03378	1.0
179.05530	11.7
179.07123	0.7
179.10681	0.8
180.05814	0.4
191.05537	3.3
203.05568	0.5
223.06012	0.7
223.09561	1.0
273.09381	0.5
283.11105	0.4
304.06979	0.4
306.07584	0.5
313.16922	0.5
331.17377	1.0
345.52982	0.4
361.16510	0.5
383.07205	0.5
391.17319	0.9
403.15738	0.7
475.21793	13.3
476.21680	1.3
493.22888	9.6
494.22751	1.3
535.27643	12.3
536.27454	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.2
57.03292	2.2
58.00433	1.0
59.01251	24.3
61.98668	0.9
62.91101	0.5
64.81673	0.4
65.04104	0.4
66.03314	0.8
67.01707	0.5
68.01252	1.0
69.03305	1.1
69.63589	3.6
70.02850	4.2
71.01253	13.2
71.02358	0.7
72.00780	17.5
72.98836	0.4
72.99184	5.2
73.02817	7.0
80.04921	0.4
81.03307	0.6
82.02850	2.4
82.32989	0.5
83.01270	2.7
83.04873	1.3
85.02822	4.5
86.02330	1.8
87.00747	1.2
87.04377	0.8
89.01826	0.5
89.02318	6.1
93.03333	1.2
94.02824	1.4
94.06451	0.6
95.01243	1.3
95.04876	0.5
96.00775	1.2
96.04422	7.0
96.95864	1.6
97.02829	1.2
97.03916	1.2
97.06454	0.7
98.02342	4.9
98.05993	1.0
99.00768	3.9
100.03934	2.7
101.02314	8.4
106.06484	1.5
107.04855	0.8
108.04405	1.9
110.05962	0.5
111.00722	0.5
112.03911	0.8
113.02337	4.5
113.03451	0.8
115.04986	2.2
116.03381	1.6
119.03358	1.8
119.04900	0.5
120.04432	0.6
121.02847	1.1
122.02412	0.6
122.05968	1.8
123.03080	0.6
123.04350	0.6
124.03861	1.3
124.07570	3.2
125.02370	0.6
125.07973	0.6
125.09579	0.6
128.03392	1.4
134.05984	0.6
135.04401	1.5
136.03941	2.0
137.02313	0.8
138.05527	2.4
139.11172	0.6
140.07048	0.8
143.03474	0.8
143.04507	4.4
144.02928	25.1
145.03242	0.9
149.02328	0.9
149.04507	1.0
149.07065	1.0
150.03122	0.7
150.05545	4.3
151.03874	0.9
152.01039	0.7
152.07076	0.6
154.04979	1.2
161.02382	0.8
161.04424	1.0
161.05629	1.2
161.06999	0.6
162.05533	1.1
166.02562	0.6
167.08153	4.4
168.06570	1.9
170.08124	0.6
171.10188	0.8
173.04449	1.4
179.08174	3.0
180.06584	1.8
183.13731	0.6
185.09245	0.6
185.11795	1.4
188.09219	0.6
191.05548	2.5
193.05090	0.7
194.04387	0.6
197.09286	3.0
211.07198	1.4
215.10220	1.2
215.12816	1.1
223.07216	0.8
224.05582	1.1
241.08261	20.1
242.08611	0.6
243.16095	0.6
250.19154	0.6
257.17673	0.6
259.09332	100.0
260.09686	6.1
275.16562	0.8
325.23776	0.8
331.24768	1.0
343.25104	0.6
355.24890	4.7
373.25943	6.6
374.26135	1.1
403.19580	1.5
475.29065	0.9
493.30527	0.8
515.57007	0.6
517.30505	1.7
535.31335	63.9
536.31799	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	535.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35675	1.3
55.01729	1.2
57.03311	1.6
58.00455	3.9
59.01248	100.0
60.60579	1.2
64.50620	1.2
69.03331	1.8
71.01248	56.5
72.99181	3.6
73.02820	9.0
83.01252	4.1
85.02819	14.7
87.00734	4.6
89.02310	74.9
90.02660	2.5
93.03319	1.7
95.01249	5.3
96.95872	2.1
97.02812	1.7
99.00766	1.4
99.04391	5.5
99.05483	1.3
101.02316	29.5
113.02315	23.9
119.03384	30.3
124.05130	1.7
128.03394	3.7
131.03406	6.4
132.04420	1.6
135.04427	3.9
135.11707	2.3
143.03365	4.3
143.04514	3.5
144.04871	1.4
149.04449	52.1
151.00275	1.4
152.01015	1.5
161.04469	8.2
161.09656	3.8
165.75925	1.3
167.03436	2.6
173.04535	2.6
178.99574	1.4
179.03276	1.5
179.05556	14.0
179.10672	43.3
180.11052	1.7
191.05516	5.6
223.09689	53.5
224.09944	3.3
255.02838	3.6
271.02438	5.2
283.10684	3.0
300.02679	11.2
301.03394	5.1
306.07672	5.3
307.07803	6.8
309.08856	2.2
327.09747	3.0
355.13928	3.2
359.17035	3.5
371.08691	2.4
403.11240	6.2
403.16061	22.6
463.08762	7.9
475.21890	12.8
493.22665	8.4
503.16241	1.3
535.20282	75.4
536.20673	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	535.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75719	1.0
59.01247	25.5
68.97221	1.1
69.27432	4.5
69.27864	5.9
71.01250	11.3
72.99157	1.3
73.02821	3.9
75.00751	2.0
80.04965	2.9
83.01281	1.1
85.02837	4.9
87.00750	2.4
89.02314	12.4
93.03355	1.9
94.06456	1.2
95.01299	1.6
95.03632	1.4
96.95853	1.1
98.20639	1.7
99.00787	1.5
101.02311	6.2
104.49672	1.1
106.06511	1.5
113.02317	6.5
119.03380	5.9
122.06028	6.0
124.07568	4.9
125.02302	1.1
131.03401	1.1
132.04449	22.2
133.05231	4.9
134.05984	3.8
135.04401	3.9
146.02458	1.3
147.03178	1.7
148.03931	1.8
149.04460	3.4
149.05852	1.2
150.05521	3.8
158.02341	1.6
160.01767	1.1
160.03963	5.8
161.04457	2.3
163.06033	1.3
165.04225	15.9
166.04587	1.3
173.04483	3.4
175.03976	1.0
176.03447	3.6
176.07068	3.7
177.04279	1.2
177.50801	1.1
179.03378	1.1
179.05576	2.2
186.09276	1.8
187.04854	1.2
187.09782	1.3
190.04993	3.6
191.05559	5.3
194.88422	1.2
209.03261	3.4
211.08817	1.3
211.12352	2.4
212.05762	1.9
212.10674	2.5
213.06612	2.1
214.12274	2.6
215.11824	6.8
223.08627	2.3
224.07443	1.1
224.09453	5.1
226.07393	3.4
227.08231	5.6
229.09695	3.9
238.08875	1.3
239.08434	1.3
239.09503	1.5
239.11844	10.3
240.08617	1.2
240.10297	3.6
240.12320	1.1
241.09750	13.9
248.44980	0.9
253.06181	10.6
253.08665	1.2
253.09833	1.3
254.06905	1.7
255.07829	2.4
255.11372	7.1
256.08545	1.1
257.12927	14.5
265.09656	1.6
266.07623	1.4
267.07593	5.8
268.08530	4.1
281.09354	8.0
283.10864	65.2
284.11206	4.2
299.02078	1.3
301.11926	10.7
302.12036	1.5
309.08813	24.3
310.09061	1.6
327.09863	28.8
328.10196	2.8
331.17560	1.2
340.08981	1.2
345.10870	44.1
345.15073	2.1
346.11026	3.8
353.07907	2.2
359.12433	2.0
371.08813	22.0
372.09052	3.2
400.58887	1.2
403.11484	14.7
403.23386	1.5
404.11935	1.6
415.15005	2.1
459.14154	7.9
491.24557	1.4
503.13074	100.0
504.13455	13.4
535.15796	4.6
535.27814	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34439	0.5
59.01235	0.7
67.02631	0.6
78.95772	32.1
82.78400	0.5
120.42565	0.6
121.99995	1.2
134.98343	0.7
140.01070	5.9
152.99496	8.0
153.99808	0.6
196.03717	14.8
196.89366	1.0
201.46872	0.5
214.04774	2.2
255.23257	100.0
256.21103	0.8
256.23611	8.9
279.23334	2.3
298.96039	0.6
385.79370	0.6
416.48868	0.5
452.27786	50.5
453.28143	7.1
534.26929	3.8
535.28900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.7
58.32670	0.4
59.01251	15.1
61.42074	0.4
62.05725	0.4
65.64565	0.4
67.01757	0.4
71.01248	6.4
73.02814	2.6
78.23106	0.5
80.02550	0.6
81.03368	0.6
83.01273	1.1
85.02833	2.7
85.03275	0.5
87.00755	1.2
89.02315	4.8
91.01780	0.9
93.03334	1.2
95.01276	0.9
98.19827	1.1
99.00784	0.8
101.02311	3.3
106.89185	0.5
108.02050	31.3
109.02889	0.5
111.04353	0.4
113.02330	2.7
119.01263	2.3
119.03403	1.1
121.02854	1.0
123.04411	13.3
125.02349	0.8
132.04416	0.4
133.02872	0.7
134.03639	0.8
135.04398	1.3
137.02354	2.2
138.03136	1.0
139.07668	0.6
143.03433	0.5
147.00771	1.8
147.04454	0.5
148.01524	0.6
149.02362	5.1
149.04483	0.8
150.03133	2.2
151.00243	1.2
152.01054	68.0
153.01382	3.0
161.02390	0.4
161.04466	1.2
163.03870	1.1
164.04700	5.4
165.01834	1.1
165.05450	0.5
166.02626	5.2
167.03407	100.0
168.03734	3.5
173.04474	1.6
175.00281	13.6
176.01042	5.6
177.01778	0.7
179.05533	1.1
179.07050	1.7
181.04962	3.9
185.85136	0.5
186.02948	0.4
189.01903	0.6
190.02634	32.7
191.03372	8.7
191.05446	1.4
193.01364	0.6
193.04938	0.8
194.02295	1.0
194.04358	0.4
195.02809	0.5
205.04999	33.9
206.05354	2.3
207.06656	0.6
208.03683	1.1
209.04503	1.8
209.11314	0.5
223.06082	6.4
247.06219	0.8
251.05621	1.3
343.11493	0.6
352.08002	0.6
353.08768	14.7
354.09143	2.2
358.14130	1.9
367.10330	45.4
368.10614	4.3
373.16559	5.2
403.23547	1.0
415.23325	1.9
433.24527	0.9
475.28937	0.5
491.25058	0.5
493.22885	0.8
503.16080	0.6
535.14771	6.0
535.31628	5.2
536.14856	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83223	0.3
52.25772	0.3
59.01246	0.9
62.58084	0.3
62.96280	0.4
70.25100	1.0
75.11866	0.3
78.95773	59.3
86.12042	0.3
96.95900	0.7
96.96832	6.7
150.97900	1.6
152.99486	100.0
153.99834	1.2
171.00543	3.8
180.89879	0.4
196.89429	4.3
283.35110	0.4
379.28668	1.0
473.93784	0.3
533.16260	0.6
533.28754	6.6
534.28857	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2966
Annotation	fatsicarpain B
Peak:m/z	Relative Intensity
51.63259	0.4
55.01752	1.1
57.03313	1.8
57.61514	0.3
58.00480	0.6
59.01249	27.0
61.98704	0.5
69.47816	1.4
69.48250	1.6
71.01253	12.9
72.99168	0.9
73.02812	3.7
75.00746	0.7
78.58625	0.4
78.83028	0.6
83.01252	2.0
85.02820	5.0
87.00748	1.8
89.02313	8.5
93.03314	1.3
95.01241	1.2
96.95873	1.1
97.06477	0.8
99.00768	0.7
101.02325	8.0
101.78482	0.4
105.03359	0.6
111.00751	0.7
111.04401	0.5
113.02322	4.4
114.30300	0.4
116.92695	0.4
119.03374	1.6
123.04391	1.8
123.08044	0.9
125.02293	0.6
125.09615	2.2
131.03439	0.6
135.04396	0.4
139.07567	0.6
139.11221	0.4
143.03429	0.5
149.02351	1.3
149.04442	3.7
150.03123	0.4
153.09026	0.6
155.10588	0.4
157.08565	2.1
161.04417	0.6
165.05484	8.8
166.05701	0.4
167.03548	0.4
171.10197	5.4
173.04448	0.8
185.11781	1.4
190.02614	1.6
191.03427	0.5
191.05515	2.1
195.06599	0.5
201.11290	1.3
205.04997	1.4
215.12782	0.9
217.00293	0.4
223.06046	0.9
242.34001	0.4
271.02542	0.4
311.22336	1.2
329.23282	0.7
341.23260	1.8
353.23297	5.9
367.10242	2.7
371.24362	15.3
372.24490	1.0
401.21729	1.2
407.93967	0.4
449.14182	0.5
451.33762	0.4
473.27295	1.0
491.28531	1.2
515.28436	1.8
533.29639	100.0
534.30078	14.3
540.01349	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.0
57.03328	0.8
57.15865	0.7
58.00470	4.2
59.01248	100.0
60.01590	1.3
60.19094	0.6
69.53078	5.5
71.01250	68.4
72.99181	6.7
73.02815	4.4
74.92648	0.7
78.07468	0.7
81.03308	0.8
83.01225	3.8
85.02817	15.5
87.00749	5.2
89.02312	94.3
90.02673	1.6
93.03352	3.5
95.01247	3.2
96.95876	3.1
99.00745	1.2
99.04412	0.8
101.02309	36.1
102.02648	0.8
103.03871	1.0
113.02326	24.4
114.02711	1.0
119.03383	36.7
123.04432	0.9
125.02320	1.6
127.03838	1.1
131.03386	5.3
133.02869	0.8
135.04401	8.2
137.02318	1.4
143.03418	6.2
149.04440	3.5
161.02306	1.7
161.04463	6.6
163.05919	1.5
173.04395	2.5
179.03412	3.3
179.05461	18.4
182.46217	0.8
191.05525	48.1
192.05832	2.9
205.06972	1.1
208.80551	0.8
298.52875	0.7
353.08743	4.6
354.08820	0.9
387.20026	2.0
413.21597	5.0
473.23892	3.7
533.12506	3.3
533.25818	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	533.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98332	0.1
57.03318	0.4
58.00467	0.2
59.01248	37.3
59.39210	0.1
60.01582	0.4
61.98689	0.2
62.97369	0.1
64.45558	0.1
69.03329	0.3
70.24773	0.1
71.01249	9.6
71.06940	0.3
71.07294	0.2
72.01598	0.2
72.99194	0.2
73.02818	6.3
83.01259	0.7
83.01704	0.2
85.02823	2.1
87.00753	2.0
89.02312	25.9
90.02663	0.5
91.72736	0.1
93.03345	0.2
95.01269	0.5
97.02886	0.2
99.00755	0.7
99.70499	0.2
101.02325	2.6
103.00247	0.5
103.03890	1.8
104.78341	0.1
112.80051	0.2
113.02325	2.0
113.47957	0.2
119.03381	0.5
122.07167	0.2
131.03391	8.4
143.03404	0.2
149.04453	100.0
150.04776	2.5
159.02899	0.2
161.04462	2.0
173.04431	0.3
177.27022	0.1
181.11009	0.2
216.99884	0.2
237.01012	0.2
315.18088	3.9
316.18488	0.2
329.23276	0.2
357.19150	0.9
533.22113	1.2
533.29907	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.0
57.03328	0.8
57.15865	0.7
58.00470	4.2
59.01248	100.0
60.01590	1.3
60.19094	0.6
69.53078	5.5
71.01250	68.4
72.99181	6.7
73.02815	4.4
74.92648	0.7
78.07468	0.7
81.03308	0.8
83.01225	3.8
85.02817	15.5
87.00749	5.2
89.02312	94.3
90.02673	1.6
93.03352	3.5
95.01247	3.2
96.95876	3.1
99.00745	1.2
99.04412	0.8
101.02309	36.1
102.02648	0.8
103.03871	1.0
113.02326	24.4
114.02711	1.0
119.03383	36.7
123.04432	0.9
125.02320	1.6
127.03838	1.1
131.03386	5.3
133.02869	0.8
135.04401	8.2
137.02318	1.4
143.03418	6.2
149.04440	3.5
161.02306	1.7
161.04463	6.6
163.05919	1.5
173.04395	2.5
179.03412	3.3
179.05461	18.4
182.46217	0.8
191.05525	48.1
192.05832	2.9
205.06972	1.1
208.80551	0.8
298.52875	0.7
353.08743	4.6
354.08820	0.9
387.20026	2.0
413.21597	5.0
473.23892	3.7
533.12506	3.3
533.25818	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	533.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.7
59.01237	1.5
61.37222	0.3
71.01241	1.2
71.57320	0.5
77.72132	0.3
80.52534	0.3
81.03362	0.3
85.02821	9.3
87.00744	3.3
92.50301	0.3
93.03324	3.2
99.04407	0.5
101.02260	0.3
109.02837	1.3
111.04378	1.0
127.03928	2.3
129.01831	1.0
135.04405	1.4
147.02913	0.4
155.03410	0.4
156.96301	0.3
171.02890	0.8
173.04483	0.9
175.02457	0.3
191.05531	100.0
192.05898	3.7
197.04585	0.3
393.62256	0.4
450.13834	0.4
533.13812	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.4
57.03331	0.5
57.89326	0.2
58.00459	0.2
59.01250	44.0
60.01583	0.4
61.98719	0.4
62.84016	0.2
63.15311	0.2
64.72468	0.2
69.03330	0.5
69.29649	1.2
69.30074	0.7
71.01251	10.2
72.99177	0.4
73.02816	6.6
75.00726	0.3
83.01255	0.8
85.02812	2.7
86.43287	0.2
87.00759	2.3
89.02316	28.4
90.02676	0.3
93.03334	0.4
95.01273	0.5
96.95867	0.3
99.00761	0.6
101.02319	3.9
103.00256	0.7
103.03883	1.9
111.04390	0.2
111.96489	0.2
112.81590	0.2
113.02329	2.6
119.03374	0.6
122.16626	0.2
125.02342	0.2
131.03392	7.5
134.03615	0.4
135.04424	0.3
143.03407	0.4
149.04459	100.0
150.04805	2.7
159.02885	0.3
161.02350	0.3
161.04466	1.8
171.10162	0.3
173.04390	1.0
178.02721	0.3
183.90265	0.2
185.11702	0.3
191.05486	1.0
193.04947	0.3
195.05476	0.2
202.08244	0.2
217.00035	0.2
217.03456	0.4
223.05992	0.2
228.03433	0.2
277.81421	0.2
297.14859	0.2
315.18103	4.5
329.23279	0.7
357.19247	1.5
358.19531	0.2
371.24115	0.3
401.21686	0.9
431.22528	0.2
468.75443	0.2
497.27496	0.5
533.22186	2.0
533.29639	4.3
534.29950	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.8
59.01248	31.2
59.36116	0.5
60.01564	0.8
61.98680	1.6
64.38937	0.4
70.35998	1.8
71.01247	9.5
72.99184	1.0
73.02813	4.9
74.02327	0.5
75.00721	2.4
83.01271	2.8
85.02834	4.1
87.00736	1.3
87.04340	0.6
89.02319	3.8
93.03322	1.3
95.01257	0.9
96.95875	1.1
97.06452	0.7
98.19844	0.6
99.00764	0.7
101.02325	7.2
108.02052	7.2
109.02846	0.7
111.00741	1.0
111.04430	0.9
113.02316	3.7
119.03367	1.0
121.02828	0.9
122.03625	5.5
123.00745	0.6
123.04413	9.0
125.02304	0.7
125.09597	1.2
131.03444	0.8
134.03603	1.4
135.00797	0.6
135.04399	3.4
136.01532	2.1
137.02332	1.1
143.03442	0.6
149.02333	2.4
149.05963	1.4
150.03134	13.8
150.52415	0.5
151.03470	0.6
161.02370	0.7
161.04436	1.6
164.01012	1.2
171.10155	1.8
173.04462	1.5
177.01788	1.0
178.02637	16.2
179.03401	4.7
182.02103	1.5
185.11722	3.3
190.02699	0.9
191.05597	3.4
193.04993	100.0
194.05353	4.4
205.04959	2.8
207.06615	1.1
210.01636	18.4
210.03569	1.1
211.01971	0.8
211.13461	0.6
217.00366	0.6
224.03214	1.3
235.06137	1.1
263.60861	0.5
271.02289	0.6
291.82129	0.6
299.05603	0.8
300.79245	0.6
308.69373	0.5
311.22232	1.6
313.07217	0.8
327.21597	0.6
329.10275	43.2
329.23276	1.3
330.10611	3.8
353.23566	1.1
371.24390	0.6
401.21750	2.2
401.25604	1.8
473.27719	1.6
474.30719	1.0
491.28522	2.4
515.28217	2.3
533.29755	25.6
534.30151	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	533.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81389	2.0
54.23703	1.7
57.03340	2.5
59.01249	45.8
61.98723	1.6
65.00191	3.7
70.98240	1.8
70.98571	2.8
71.01248	18.7
72.99200	1.9
73.02821	7.5
75.00747	1.9
77.69987	1.4
78.95856	1.5
81.03335	1.8
83.01263	2.5
83.04910	1.9
85.02829	6.8
87.00745	4.1
89.02313	12.5
91.01768	7.2
93.03352	5.2
95.01263	3.1
96.95903	5.4
98.95472	2.5
101.02313	12.5
105.03317	1.8
108.02050	5.1
109.02830	100.0
110.03232	2.4
111.00786	1.6
111.04410	2.4
113.02353	8.7
116.92770	3.3
119.03349	2.4
119.04893	1.8
121.02815	4.7
123.04418	1.9
125.02343	2.6
131.03365	3.1
132.01987	2.1
133.02847	10.4
134.03407	1.9
135.04410	10.6
137.02348	4.7
145.02850	11.5
146.03636	14.1
147.04431	16.8
149.04471	7.4
150.05548	4.0
151.03911	2.3
159.04459	1.8
160.05161	2.0
161.02379	15.8
161.04451	4.1
161.05910	1.9
162.03104	3.4
164.04671	2.3
165.05376	2.8
173.02359	27.5
173.04469	9.1
174.03151	35.8
174.04660	3.2
175.03873	3.7
176.04715	14.7
177.01878	6.7
178.02258	2.5
179.03394	3.9
179.07034	2.9
188.04703	35.9
189.05502	47.2
190.05803	2.1
191.05504	11.1
191.06960	3.0
193.01401	1.9
193.04747	1.9
197.06140	1.9
203.05374	3.3
203.07085	32.4
205.05045	3.0
227.03438	4.8
227.07045	2.7
229.01448	2.5
229.05031	4.1
237.05319	2.6
241.07513	2.1
253.05104	1.8
255.02995	14.1
255.06566	2.6
255.08971	2.6
256.09747	18.9
265.05072	4.5
281.04794	2.3
281.08362	3.4
282.05310	47.6
283.05997	15.0
284.03275	19.6
285.03912	13.8
296.06876	26.0
297.07642	86.8
298.08310	19.7
309.03577	2.1
311.09183	5.0
313.10822	55.8
314.11069	3.7
353.10168	2.9
357.09763	36.3
358.09738	2.8
371.14612	2.9
383.07666	15.0
401.08759	4.7
427.29138	1.7
489.10272	12.3
489.23099	1.9
533.12262	9.5
533.30212	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	533.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30417	0.5
55.01766	0.4
57.03312	0.6
59.01250	49.5
59.84700	0.4
62.13246	0.4
62.68092	0.5
65.00211	0.7
65.13262	0.4
69.57909	2.8
71.01248	11.2
72.99194	0.9
73.02821	5.3
75.00732	0.6
77.90820	0.5
80.29229	0.4
83.01261	1.1
85.02825	2.9
87.00749	2.0
89.02311	18.2
93.03365	0.5
95.01281	0.7
96.95892	1.1
97.02824	1.0
97.06461	0.8
99.00775	1.1
101.02312	4.2
102.13215	0.4
103.03906	1.2
110.00010	0.6
111.00726	0.5
113.02316	3.0
114.80653	0.4
119.03378	0.7
123.00748	0.6
131.03400	3.7
147.00797	0.6
149.04462	60.8
150.04834	0.7
151.98477	0.5
161.02356	0.6
161.04514	2.2
165.01837	3.7
171.10236	0.6
173.04483	0.7
182.03683	0.6
185.11777	1.2
188.04720	0.6
191.05479	1.0
198.03169	2.3
199.03944	0.7
207.02930	1.0
213.05544	1.3
214.02640	3.5
215.03505	1.1
226.02664	3.8
227.03421	1.0
229.05130	0.7
241.01254	0.7
241.04997	1.5
242.02153	14.6
243.02885	5.5
243.06548	1.1
245.00919	1.6
254.02164	7.7
255.02876	0.7
257.04504	8.0
258.05069	1.0
269.04550	6.0
270.01678	14.5
270.04605	0.8
271.02438	11.3
271.05682	0.7
279.86844	0.4
283.02524	0.6
285.04041	11.7
286.04691	3.1
298.01346	4.3
298.04526	0.9
299.01953	14.5
299.05344	0.8
300.02414	1.2
301.07446	0.7
301.10629	2.2
311.22400	1.5
313.03519	75.1
314.04227	29.8
315.04581	1.9
315.18332	2.4
327.08759	3.9
327.21530	0.5
328.05853	40.9
329.06625	100.0
329.23276	13.8
330.06985	8.0
357.19199	0.9
473.27548	1.3
489.13931	3.4
489.27121	0.5
491.28677	3.8
533.13013	26.7
533.29596	21.5
534.13141	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.13
Annotation	Rhamnazin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.58651	0.4
55.01752	0.9
57.03311	0.9
58.79459	0.5
59.01248	29.0
61.98711	0.6
63.28563	0.4
64.46340	0.5
65.00190	0.9
69.03310	0.7
70.46008	1.8
71.01252	13.3
72.99191	1.1
73.02814	4.6
75.00723	0.6
81.03359	0.6
83.01248	2.0
85.02810	4.8
87.00742	3.6
87.04385	0.5
89.02310	5.9
93.03312	1.2
94.13827	0.5
95.01296	1.3
96.95888	1.3
97.02863	0.8
99.00727	1.3
100.34351	0.6
101.02319	6.7
109.49849	0.5
113.02332	2.9
119.03367	1.3
121.02840	0.7
125.02296	1.3
125.09595	2.1
127.11217	0.6
131.03375	1.2
135.04384	0.6
144.61313	0.5
149.04497	9.5
150.04796	0.7
155.10687	0.7
157.12221	1.1
165.01811	4.8
171.10213	4.0
171.11542	0.8
173.04463	1.8
173.11736	0.6
177.16356	0.6
179.03409	0.8
180.87947	0.6
182.03604	1.0
183.02766	0.6
185.11809	1.0
186.03201	0.7
191.05568	1.7
198.03185	3.2
213.05493	1.2
214.02615	2.8
217.00175	0.8
226.02641	3.4
229.05101	0.7
241.01309	1.5
241.05013	1.9
242.02171	18.3
243.02843	5.0
245.00800	2.3
254.02153	9.8
257.04523	7.8
258.05057	1.1
269.04572	7.9
270.01678	18.9
270.04633	1.1
271.02426	10.4
272.02844	0.6
285.04034	15.6
286.04688	2.3
298.01141	5.6
299.01953	14.5
300.02090	0.8
301.07126	0.8
311.22247	4.0
313.03528	100.0
314.04205	26.4
315.04675	2.0
328.05856	69.1
329.06613	60.0
329.23285	16.4
330.07050	5.3
343.25079	0.8
371.07660	1.0
371.24380	1.9
401.21704	1.6
458.01041	0.5
473.27426	7.6
491.12390	4.9
491.28549	20.7
492.12314	0.7
533.12994	49.8
533.29620	80.2
534.13409	6.2
534.30286	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	533.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14653	1.1
53.55565	1.2
58.26554	1.1
59.01248	7.9
61.76754	1.1
65.74512	1.3
69.50175	1.3
69.57954	8.9
74.86784	1.4
83.01252	2.3
89.87784	1.3
90.39009	1.1
93.03328	1.3
101.02351	2.0
106.97260	1.2
107.01264	2.5
113.02341	2.3
122.39066	1.3
125.05976	2.8
135.00804	1.7
151.00320	2.2
164.01083	1.5
165.09164	1.5
167.03395	1.7
173.04486	1.4
177.68912	1.2
191.05527	2.4
203.75500	1.2
209.04556	1.9
209.08015	2.1
211.04022	1.5
227.03450	29.0
228.03635	2.4
229.04988	4.7
239.03381	1.3
251.09196	3.4
255.02960	67.6
256.03339	8.0
257.04572	1.6
283.02545	1.5
284.03235	100.0
285.03918	33.0
286.04291	2.6
293.10352	11.9
323.11304	9.0
353.12418	2.8
413.14032	1.5
447.09485	3.3
489.10352	79.6
490.10712	12.0
520.61542	1.4
533.18933	2.1
533.29169	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	533.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20471	1.7
57.03326	4.2
58.00470	2.9
59.01250	91.5
59.18215	2.0
60.01575	3.1
65.83553	1.9
69.31578	19.1
71.01254	30.9
72.99170	2.0
73.02825	12.0
75.00758	3.4
83.01263	4.2
83.04905	3.5
85.02835	7.8
87.00766	5.3
89.02319	20.7
90.02690	2.1
93.03326	5.7
95.01301	3.0
96.95898	8.9
97.02821	2.8
97.06476	1.8
98.19790	2.8
99.00800	2.1
99.04414	2.2
101.02328	18.6
108.02053	2.3
109.02851	12.4
111.04407	2.5
113.02333	13.4
119.03385	4.8
121.02896	2.1
123.04359	2.2
125.02322	3.4
127.03872	2.2
131.03384	3.9
134.03667	3.1
135.00780	3.1
135.04437	10.5
136.01576	2.3
137.02342	3.3
149.02374	2.2
149.04446	24.5
150.04799	5.2
151.00266	2.3
151.04907	2.9
152.01180	3.0
159.04422	1.8
161.02356	3.0
161.04485	5.2
163.03941	2.7
165.05537	2.9
166.02681	2.4
167.03445	2.9
173.04509	10.9
174.03143	1.8
175.03947	4.4
179.03481	4.1
179.05545	3.9
181.04994	2.9
190.02661	2.5
191.03619	4.0
191.05554	11.0
193.05055	2.7
200.04489	2.0
205.05144	1.8
223.06142	3.1
223.13327	6.9
224.13751	6.4
227.03442	25.7
229.04977	6.3
255.02975	61.9
256.03418	7.0
256.09790	12.7
257.04391	2.2
268.12634	2.9
269.13977	2.1
283.02548	2.2
284.03253	100.0
285.03964	37.6
341.10172	1.9
353.09128	3.1
353.23282	2.2
361.16678	2.3
371.24490	3.7
400.16809	5.3
401.17468	5.9
447.09421	3.8
489.10355	57.0
490.11130	8.7
532.21185	3.4
532.28650	2.5
533.22040	5.1
533.29883	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	2.7
59.01249	100.0
60.01593	1.2
61.98674	0.7
66.44315	0.6
69.03304	0.7
71.01254	11.2
71.01618	1.2
71.04878	1.6
71.58503	1.1
72.99184	1.1
73.02816	7.5
75.00726	0.9
76.80040	0.7
79.05347	0.6
83.01236	1.0
83.04899	1.1
85.02818	4.0
87.00773	5.1
89.02313	26.7
93.03329	3.6
95.01297	0.8
96.95876	0.8
99.00748	0.9
101.02335	5.4
103.03884	1.9
107.04930	0.9
108.02088	0.7
109.02805	0.9
111.04423	1.1
113.02303	3.8
119.03416	1.9
119.04880	0.9
121.02803	0.8
125.05978	1.0
131.03401	8.3
133.02872	2.4
134.03613	2.6
135.04454	3.2
143.03404	0.8
149.04454	99.6
150.04816	1.4
151.03835	0.8
155.54285	0.6
158.28477	0.7
160.01569	1.4
161.02286	0.9
161.04449	1.7
161.09583	1.0
161.13278	2.1
163.11191	1.2
173.04475	7.3
175.03946	2.1
178.02548	2.0
179.03403	1.6
179.05492	0.9
187.11227	1.2
191.05508	5.4
193.04933	3.8
197.99657	0.7
205.12152	1.7
207.10181	2.0
207.20464	0.6
223.13333	59.8
224.13739	4.2
249.11284	2.1
267.12369	22.2
267.15237	1.1
268.12680	2.2
284.03378	0.8
285.04153	0.7
295.05811	0.7
305.68927	0.7
315.12244	0.6
331.66541	0.7
337.09253	1.4
342.81049	0.8
381.81174	0.7
387.94089	0.8
399.16556	33.1
400.17001	3.8
447.13928	0.7
471.25430	0.8
487.33054	0.8
505.64587	0.9
513.26855	0.8
531.20813	26.3
531.27966	7.0
532.21014	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.5
59.01247	100.0
60.01583	1.1
61.98695	1.1
67.01761	0.8
71.01245	10.8
71.04897	1.4
71.58246	0.9
72.99174	1.4
73.02816	7.1
78.95792	0.9
83.01267	0.9
83.04917	1.4
85.02824	4.8
87.00751	4.6
89.02309	10.4
93.03339	4.8
96.95875	3.1
97.06474	1.1
99.00809	0.7
99.04439	0.6
100.58076	0.7
101.02318	5.5
109.02843	0.7
111.00804	0.8
111.04401	1.0
113.02339	2.4
119.03381	2.1
119.04888	1.6
121.02868	0.7
123.04487	0.9
123.61674	0.6
125.02285	0.8
131.03418	2.9
133.02870	1.0
134.03664	2.2
135.04422	2.5
137.02324	1.5
137.05992	0.9
145.26648	0.6
149.02530	1.4
149.04454	29.4
150.04764	0.7
160.01617	0.8
161.02446	1.2
161.04480	0.9
161.09653	1.2
161.13239	1.6
171.94556	0.8
173.04477	7.6
175.02483	0.7
177.01860	0.7
179.03485	1.2
191.05537	12.9
193.04987	1.7
205.12340	1.5
207.10246	1.3
216.63737	0.7
223.13342	44.8
224.13753	2.3
249.11298	1.0
255.03146	0.9
267.12357	27.8
268.12753	2.0
283.19305	0.8
284.03342	1.3
285.04166	0.9
309.20551	1.1
327.21909	2.5
337.09756	0.7
399.16574	34.9
400.17014	5.1
445.12497	1.9
471.25894	2.1
481.17575	1.0
489.27286	1.6
507.47879	0.7
531.20929	21.4
531.28406	15.8
532.21246	2.5
532.28583	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	530.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.4
67.04805	0.3
70.60909	0.3
70.61230	0.5
74.11643	0.3
75.65319	0.3
78.95774	17.5
96.95885	1.7
104.05484	0.2
113.02371	0.4
122.98346	0.3
140.94525	0.3
152.99489	4.2
168.04204	3.0
191.05504	0.5
192.28981	0.3
224.06868	7.5
225.07076	0.3
226.48100	0.3
242.07887	1.8
244.05275	0.3
254.93639	0.3
255.23257	100.0
256.23608	7.7
279.23175	1.6
280.23633	0.4
368.26254	0.3
387.39639	0.3
448.33243	0.3
480.30923	59.4
481.31247	7.7
530.30225	0.8
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
57.03313	1.2
59.01249	15.9
60.99173	1.0
61.98702	0.6
65.07841	0.3
67.01763	3.9
69.03328	1.5
69.60201	1.0
69.60611	1.7
71.01247	6.3
72.99165	0.5
73.02816	3.3
73.03161	0.5
79.95599	0.5
81.03338	1.4
83.01249	0.9
83.04884	1.4
85.02821	10.3
87.00751	6.2
89.02309	3.0
93.03333	26.7
94.03688	0.6
95.04930	0.5
96.95881	1.4
97.02796	0.6
98.19751	0.5
99.00746	1.0
99.04395	1.0
101.02322	2.7
105.03333	1.7
108.02086	0.4
109.02820	1.9
111.00741	0.7
111.04396	3.8
111.08010	0.4
113.02297	1.7
119.03369	1.0
121.02856	0.6
123.04428	0.8
125.02386	0.5
127.03871	2.4
129.01834	0.7
131.03391	0.5
132.02063	3.8
133.02855	13.2
134.03630	17.3
135.04443	5.9
137.02321	5.6
139.03905	1.5
143.03397	0.6
149.02327	0.8
149.04475	2.9
149.05974	5.7
150.03137	0.6
151.03920	0.6
155.03375	1.4
160.01566	17.0
161.02345	13.8
161.04402	0.8
162.02742	0.7
162.96889	0.4
163.03862	0.5
164.04697	0.4
165.05519	0.8
171.02834	0.6
171.52765	0.4
173.04460	20.4
174.01636	0.4
174.03217	0.7
174.04803	1.0
175.03926	11.6
176.04338	0.6
177.01834	5.8
178.02628	12.5
179.03479	3.1
179.04825	0.6
179.10631	0.5
180.03813	0.4
191.05531	100.0
192.04248	0.8
192.05832	4.2
192.86655	0.5
193.04980	32.4
194.05325	1.4
200.85429	0.3
202.02635	0.5
205.60223	0.4
207.06564	0.5
215.05547	2.5
223.13383	2.8
237.81393	0.4
267.12326	0.9
267.15964	1.6
307.08084	0.5
323.07599	1.5
324.08133	0.5
337.09259	9.8
338.09744	1.1
339.08719	22.8
340.09113	2.3
351.07172	8.1
352.07669	0.5
357.09787	1.7
367.10010	0.5
372.72098	0.4
383.26944	0.4
399.16583	1.8
471.25577	0.6
513.09900	0.5
531.14832	7.9
531.27704	5.4
532.15582	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59409	0.2
55.01749	0.3
57.03307	0.4
58.00466	0.3
59.01247	8.7
69.03318	0.4
70.79115	0.4
70.79460	0.3
71.01250	6.1
72.99181	0.3
73.02804	0.8
83.01250	0.5
85.02805	1.6
87.00753	1.0
89.02305	5.8
93.03363	0.4
95.01286	0.4
97.06475	0.3
99.00751	0.3
101.02312	6.9
102.94454	0.2
111.08027	0.5
113.02312	4.2
113.09559	0.5
119.03371	2.1
120.98266	0.3
125.02321	0.4
143.03389	0.5
149.04366	0.3
152.99536	0.3
161.04442	3.5
167.10696	0.4
177.12700	0.3
179.05580	1.2
179.14293	1.0
179.96190	0.2
183.10117	0.4
191.05519	0.4
195.13828	9.6
196.14371	0.8
205.12238	0.6
205.15932	0.4
211.13281	0.6
223.13310	6.1
224.13783	0.6
228.13560	0.9
231.21153	0.4
253.09241	30.3
254.09572	1.2
256.13150	1.0
265.21698	0.4
275.20151	5.4
276.20468	0.6
293.21198	100.0
294.21539	9.4
393.84689	0.2
447.13742	0.5
492.22101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00457	0.4
59.01250	8.4
59.37609	0.4
59.67178	0.3
64.48759	0.4
71.01250	5.9
72.99197	0.6
73.02817	1.1
78.95773	4.2
83.01257	0.4
85.02836	2.1
86.32415	0.3
87.00748	1.0
89.02323	5.1
93.03323	0.7
95.01249	0.5
99.00777	0.5
101.02322	6.3
113.02332	3.2
119.03400	1.4
121.10144	0.3
124.14801	0.4
143.03397	0.8
149.00008	2.3
161.04466	3.5
167.10651	0.4
171.10138	0.9
172.13608	0.3
173.04488	0.5
174.30446	0.4
177.12770	0.4
179.01048	0.4
179.05536	1.0
179.14410	0.5
181.12289	0.7
191.05460	1.1
195.13829	9.3
196.14319	0.8
205.12244	0.9
211.11363	0.3
211.13330	1.4
223.13365	6.2
228.13551	0.7
250.27304	0.4
253.09256	27.3
254.09575	1.5
256.13089	1.3
275.20151	6.6
276.20322	0.6
291.19666	0.8
292.20108	0.4
293.21216	100.0
294.21530	9.4
395.46509	0.4
447.13437	13.8
448.13748	1.9
492.22388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.5
57.03321	0.5
59.00945	1.0
59.01244	17.8
60.03719	0.5
67.01782	0.6
70.32485	0.4
70.58918	0.4
71.01249	9.1
71.04878	2.1
71.13457	0.9
72.99172	0.8
73.02819	1.8
78.95815	0.4
81.03374	0.4
83.01266	1.2
83.04936	0.8
85.02814	2.1
87.00747	1.6
89.02311	8.1
93.03329	3.8
95.01230	0.8
96.97847	0.4
97.06515	0.5
99.00755	0.8
101.02311	10.2
111.04375	0.8
113.02316	5.3
115.33984	0.5
119.03388	1.7
125.02316	0.4
129.01823	0.5
133.02846	0.8
134.03615	2.5
135.04440	1.9
135.46768	0.4
137.02362	0.6
143.03387	0.7
147.17308	0.4
152.99501	0.7
155.03397	0.6
157.08633	0.8
161.04460	4.5
173.04448	2.8
177.01814	0.5
177.12735	0.9
177.16496	0.5
178.02628	1.2
179.03336	0.4
179.05560	1.8
180.58502	0.5
184.96330	0.4
191.05478	0.6
191.17950	0.9
209.15428	0.7
217.15823	0.6
221.15472	0.8
231.21109	2.4
233.15381	0.6
235.08144	2.0
235.16977	51.5
236.17323	4.5
237.18417	0.6
253.09247	43.3
254.09625	1.7
257.19092	0.8
275.20123	67.8
276.20474	7.3
293.21198	100.0
294.21536	9.7
311.78192	0.4
355.15527	4.0
356.15906	0.8
403.85199	0.4
529.20490	1.2
529.29004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36655	1.2
59.01247	16.3
59.98030	1.1
61.98705	3.0
69.33556	12.3
69.33911	1.5
69.92044	1.2
71.01258	4.8
72.99168	3.1
73.02824	2.7
75.00744	100.0
81.03313	1.7
81.57648	1.1
83.01270	2.2
83.04898	5.2
85.02810	1.9
87.00765	1.7
93.03322	3.4
96.95879	3.8
98.02348	2.9
98.20574	2.3
101.02316	3.4
102.52048	1.6
107.01247	1.2
109.02862	1.6
109.45399	1.2
113.02305	1.9
125.07122	1.3
133.02803	1.2
149.04509	1.3
155.03273	1.5
163.04007	1.2
167.03462	1.8
173.04462	4.6
180.20227	1.3
191.05577	6.7
216.96417	1.5
225.15956	2.4
301.03467	2.8
323.01715	3.7
333.22800	2.6
353.06607	2.4
449.31302	7.3
450.31888	2.0
459.80725	1.6
467.32321	44.3
468.13736	1.5
468.32584	5.4
528.31512	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	529.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.0
58.00463	0.3
59.01249	10.6
60.99152	0.5
61.98698	0.5
65.03822	0.3
67.01759	3.8
69.03316	0.8
71.01251	6.1
71.04887	0.4
71.07263	0.4
71.07583	0.3
72.99191	0.6
73.02822	2.9
78.95771	0.8
80.96372	0.2
81.03333	0.8
81.29144	0.2
83.01257	0.5
83.04884	1.2
85.02821	1.5
87.00733	0.7
89.02312	2.1
93.03334	21.8
94.03679	0.6
95.01254	0.4
96.95884	5.2
97.02787	0.3
97.06458	0.3
99.00807	0.4
99.04399	0.3
101.02315	2.6
107.04915	0.3
108.02002	0.4
109.02831	0.8
111.00784	0.7
111.04403	4.5
113.02332	2.0
116.80448	0.3
117.03357	1.5
119.03378	0.6
121.10134	0.2
127.00328	0.2
127.03893	0.3
129.01920	0.2
131.03406	0.3
133.02814	0.7
134.03627	17.3
135.04471	1.2
137.02344	4.2
139.03900	0.3
143.03279	0.2
143.06992	0.3
149.04509	1.4
149.05931	1.4
155.03389	4.2
161.02390	1.8
161.04469	0.4
173.04466	100.0
174.04800	3.7
175.03809	0.2
178.02620	0.3
179.03415	0.8
179.05487	0.2
191.05493	2.2
193.04985	17.1
194.05324	1.0
213.05518	0.5
220.54872	0.2
221.11795	0.3
225.11215	0.6
307.19058	1.6
335.07806	0.3
355.11987	0.7
367.10306	38.9
368.10611	3.4
469.24417	0.5
481.70267	0.2
485.31058	0.3
529.19421	0.5
529.26038	4.1
530.26910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3067
Annotation	Hythiemoside A
Peak:m/z	Relative Intensity
55.01748	0.2
57.03325	0.4
58.00471	1.1
59.01248	100.0
60.01590	1.1
69.03323	0.3
69.87402	1.0
71.01251	17.2
72.01592	0.4
72.99187	0.9
73.02818	8.7
74.03170	0.2
75.00746	0.3
76.82862	0.2
83.01253	2.3
85.02821	4.9
87.00731	1.1
89.02315	8.9
90.02740	0.2
95.01266	2.0
97.02823	0.4
99.00771	0.5
101.02321	11.3
102.02646	0.3
113.02326	13.2
114.02651	0.4
119.03384	3.5
125.02357	0.5
131.03357	0.9
143.03374	1.3
149.04471	0.5
161.04454	2.6
179.05550	1.7
197.75615	0.2
199.04781	0.2
252.66637	0.2
465.28543	1.0
483.29602	2.8
484.29874	0.3
538.24188	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	97.4
71.57674	76.9
71.58078	100.0
101.05447	64.4
116.76619	53.9
139.10298	63.6
255.23291	60.8
273.69992	64.2
494.53745	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.4
57.03316	0.8
58.00464	0.7
59.01248	100.0
60.01584	1.4
61.43801	0.3
61.98721	0.3
69.03321	0.4
69.94044	0.7
69.94417	1.6
71.01247	17.2
72.99190	0.9
73.02814	4.4
78.95779	0.4
83.01273	1.4
84.84214	0.3
85.02821	6.1
86.03184	0.4
87.00735	0.9
89.02308	9.4
89.02808	0.6
95.01242	2.0
96.95899	0.3
97.02868	0.5
99.00783	0.8
101.02317	8.0
102.02714	0.4
113.02325	14.6
119.03389	3.7
125.02325	0.7
131.03410	0.6
143.03398	1.6
149.04442	0.5
161.04442	2.3
179.05566	1.1
241.76764	0.4
249.17543	0.3
291.19714	0.7
323.26041	0.7
467.30182	8.7
468.30743	1.1
485.31192	5.1
486.31909	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3068
Annotation	Hythiemoside A
Peak:m/z	Relative Intensity
54.12637	0.2
55.01756	0.3
57.03317	0.4
58.00464	0.5
59.01249	100.0
60.01585	1.0
61.98701	0.2
69.03347	0.2
69.31158	1.5
71.01250	11.4
72.99194	0.6
73.02816	4.9
75.00744	0.2
83.01266	1.3
83.04882	0.2
85.02821	2.4
87.00774	0.6
89.02313	6.8
89.48848	0.2
92.55696	0.1
95.01260	1.0
99.00748	0.2
101.02319	6.3
102.96049	0.2
113.02328	6.8
114.02621	0.2
119.03383	2.6
121.02877	0.2
124.63969	0.1
125.02305	0.3
131.03397	0.7
143.03406	0.7
149.04497	0.4
154.69398	0.2
155.03490	0.2
161.04478	1.5
169.98996	0.2
173.04608	0.2
179.05530	0.9
186.20001	0.1
206.59831	0.1
270.85947	0.2
465.28745	0.4
483.29675	1.1
496.62012	0.2
525.30957	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3064
Annotation	Hythiemoside A
Peak:m/z	Relative Intensity
55.01768	0.3
57.03335	0.3
58.00467	0.4
59.01249	100.0
59.54380	0.2
60.01575	1.0
69.03320	0.2
70.33936	0.5
71.01250	8.9
72.99181	0.4
73.02821	1.9
75.00729	0.3
83.01275	0.8
85.02825	3.1
87.00743	0.6
89.02314	6.8
95.01298	0.8
98.19736	0.2
99.00764	0.4
101.02319	5.6
113.02323	6.9
119.03378	2.8
131.03419	0.4
138.73000	0.2
143.03450	0.6
149.04477	0.3
161.04387	1.1
173.04468	0.3
179.05525	0.6
200.36125	0.2
393.25906	0.2
465.28461	1.5
483.29477	2.8
484.30133	0.2
525.31030	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.8
58.00466	0.4
59.01249	100.0
60.01587	1.2
69.03321	0.6
71.01252	12.2
71.58387	0.4
72.99183	0.9
73.02828	3.5
73.18980	0.3
76.30248	0.3
83.01267	1.5
85.02827	4.1
87.00761	1.0
89.02312	7.2
90.97032	1.4
93.03336	0.8
93.62041	0.4
95.01276	1.3
97.02821	0.5
99.00764	0.7
101.02322	6.6
113.02325	9.0
116.92768	0.7
118.96587	0.8
119.03384	2.1
119.35371	0.3
121.02843	1.0
126.88786	0.3
131.03421	0.4
132.98090	3.9
135.04407	0.5
141.01596	0.9
143.03372	0.6
154.50803	0.4
160.97665	0.4
161.04456	1.8
173.04411	0.5
174.99153	10.3
179.05548	0.9
183.13808	3.0
186.99196	0.6
195.13834	1.3
213.14996	1.4
215.02391	0.4
235.06505	0.4
243.05519	0.7
255.09224	0.7
257.10831	1.6
265.07620	0.8
267.09189	0.9
269.10712	1.1
277.07767	0.6
280.70953	0.3
283.08643	1.1
295.08701	0.4
297.10172	5.4
298.10492	0.3
299.11728	13.9
300.12103	0.8
309.10266	0.9
311.11749	30.7
312.12146	2.9
313.09991	0.5
321.24850	0.4
341.09213	0.5
343.10553	1.7
355.10773	0.8
370.46750	0.3
401.20444	0.4
407.24756	0.6
419.20871	0.5
421.22794	3.5
423.24304	5.4
433.22726	2.2
435.24304	6.2
435.30029	0.6
436.24515	0.8
447.23914	2.6
463.23877	1.7
465.25204	35.8
466.25491	4.7
467.23483	1.3
483.29642	3.4
484.30399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04974	0.7
53.45226	0.5
56.78075	0.5
59.01249	6.2
69.86425	2.1
69.86845	1.3
78.95779	0.8
88.00038	0.6
89.47378	0.5
96.95884	1.2
113.09692	0.7
115.41289	0.5
117.03336	1.4
123.04391	0.6
132.02054	0.8
133.02850	22.3
134.03679	5.5
135.04410	13.5
137.02315	3.6
145.53082	0.5
148.05151	0.7
152.99329	0.6
161.02342	100.0
162.02707	3.9
178.02611	0.7
179.03450	4.4
200.87428	0.8
217.00241	1.7
269.21216	1.1
287.22263	11.0
288.22549	1.1
308.14764	0.7
308.77835	0.6
359.01489	0.9
363.25378	9.0
364.25867	0.8
377.63004	0.7
431.24377	35.6
432.24771	6.0
445.22665	2.2
449.25467	10.3
449.85971	0.6
450.25629	1.7
463.23669	2.4
523.29071	70.2
524.29462	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21358	0.3
57.03320	0.5
58.00459	0.5
59.01249	100.0
60.01592	1.0
61.98687	0.4
68.50911	0.2
69.29265	2.6
71.01251	13.4
72.01607	0.3
72.99170	0.4
73.02818	5.9
83.01266	1.6
85.02818	3.4
87.00764	0.7
87.04366	0.3
89.02310	4.7
94.00519	0.2
95.01248	1.2
98.19767	0.5
99.00786	0.8
101.02319	6.9
106.71282	0.3
113.02328	7.9
114.02670	0.3
116.92771	0.5
119.03403	1.3
125.02360	0.4
131.03439	0.5
135.04414	0.3
139.00290	0.3
141.01608	0.4
142.20775	0.2
143.03377	1.3
149.04495	0.4
161.04453	3.7
161.05643	0.3
162.06786	0.4
165.05530	0.7
172.88583	0.2
179.05585	0.6
217.00282	0.4
233.15424	0.5
259.82141	0.3
301.21954	0.3
319.22842	0.8
359.01517	0.4
463.26892	3.0
464.27695	0.3
481.27994	2.5
482.28772	0.4
523.29401	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86927	2.8
52.87223	2.8
55.01761	3.4
57.03323	4.6
59.01250	100.0
67.76640	3.7
71.01254	54.8
71.57999	5.2
72.99175	6.6
73.02823	19.2
81.03355	4.4
83.01257	4.9
85.02831	14.9
87.00751	4.1
89.02319	55.0
93.03356	10.3
95.01252	4.6
96.95890	6.7
97.06465	3.6
99.00748	17.2
101.02327	39.8
109.02827	4.9
111.04408	3.9
113.02324	13.7
119.03391	9.5
121.02827	6.1
122.03609	3.8
125.02324	6.8
131.03395	11.2
133.02849	3.7
134.03647	28.9
135.04240	7.4
135.76793	3.5
136.04117	3.7
136.05151	4.3
137.02373	5.9
138.02716	4.2
149.02333	9.6
149.04459	46.6
149.05711	5.1
150.03134	28.3
151.03557	13.5
152.03654	7.6
155.10713	14.7
161.04448	6.2
165.05489	30.3
166.05809	12.3
167.06001	7.7
173.04475	14.1
178.02594	15.9
179.03131	11.5
179.05438	3.8
180.02974	4.7
187.09465	3.1
191.05530	31.1
192.05899	4.0
193.04955	51.7
194.00900	14.2
194.05325	40.6
195.05389	15.8
195.06627	18.2
196.06834	10.0
197.07080	10.5
199.09773	4.2
229.01192	3.7
251.07637	4.5
300.02664	5.0
319.21149	4.1
331.11734	5.2
343.11917	8.2
361.16605	7.5
391.14090	9.1
391.19638	50.6
392.20071	7.8
404.24026	3.7
424.57980	4.7
463.21381	46.9
464.22058	4.0
478.17123	4.8
481.22549	4.3
523.28595	71.4
524.10211	4.3
524.28400	6.5
525.04712	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	521.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	3.4
61.20259	1.9
72.63337	1.8
78.95788	2.3
86.49079	1.8
86.49617	1.9
96.95894	2.1
98.20592	6.5
105.03362	10.9
132.02049	4.5
133.02846	40.8
134.03596	8.2
135.04468	3.1
137.02361	4.5
148.05145	3.2
160.01570	25.9
161.02350	24.6
161.06001	2.6
175.03922	72.3
176.04268	3.3
177.01814	3.8
178.02548	2.2
179.03354	3.0
192.68974	1.7
193.05013	5.5
230.54666	2.1
255.45386	1.7
271.22873	10.6
299.32816	1.8
303.16049	2.1
331.19101	2.7
344.78836	1.9
345.20706	3.1
359.22137	2.3
361.27646	4.7
415.24854	10.4
429.26382	23.3
430.26950	2.6
433.25867	4.1
447.27518	37.4
448.27625	6.0
506.28696	2.8
521.31128	100.0
522.31525	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	521.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02402	1.1
57.03321	2.7
59.01260	1.4
59.41238	0.8
64.59599	1.0
69.85674	0.8
70.35223	3.4
97.06458	11.6
105.49491	0.8
112.12269	0.8
123.08035	6.0
125.09615	100.0
126.09972	3.9
139.18793	0.8
169.08638	3.3
187.09683	40.6
188.10008	1.4
190.67598	1.0
240.78174	0.9
243.12373	16.8
244.12784	1.6
261.13412	25.7
262.13593	1.5
277.21713	49.8
278.22083	5.5
515.06458	0.8
521.34845	10.5
522.35425	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2188
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
55.01769	1.9
57.03345	1.9
58.00475	0.7
59.01249	28.2
64.91825	0.6
69.03354	0.9
69.71729	1.9
69.72153	2.4
71.01250	23.3
72.01626	0.6
72.99208	2.5
73.02827	5.3
73.03219	0.8
77.20130	0.6
83.01258	4.0
85.02827	9.5
85.03278	0.8
87.00775	2.4
89.02311	8.5
93.03381	1.7
95.01308	2.0
96.95953	0.9
97.02847	0.7
98.19760	0.9
99.00790	2.1
101.02316	16.4
106.82167	0.6
109.02822	5.5
111.00794	1.1
111.04388	0.8
113.02324	6.5
113.02941	0.6
119.03372	3.7
121.02838	13.5
121.03642	0.8
122.03629	11.5
123.04418	2.3
124.01562	1.7
129.03326	1.1
134.03674	1.0
135.04390	3.0
136.05183	0.6
137.02312	3.1
146.03638	0.8
147.04417	6.6
149.04486	1.8
149.05960	1.6
150.03104	1.0
154.02621	1.8
159.02953	1.2
161.04633	1.4
161.06049	3.1
162.06808	1.0
164.04688	1.4
165.05470	25.1
166.05876	0.8
173.04567	1.5
173.05983	1.3
174.06813	0.7
175.07599	1.8
177.05589	1.1
179.07053	7.6
191.05566	1.6
191.07138	1.6
193.04961	0.7
209.11806	0.8
223.09700	0.7
229.14511	0.9
264.15729	0.7
298.12027	1.0
299.12848	0.8
303.91476	0.6
313.14423	2.0
315.12402	2.1
328.13150	2.6
329.13705	1.3
343.15433	4.1
343.21210	1.2
346.14240	7.9
347.14746	2.1
361.16537	83.5
362.16824	9.5
364.68799	0.7
391.19724	7.2
391.26907	2.8
459.34274	0.7
479.24747	1.2
523.21735	100.0
524.22168	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	521.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69454	0.8
59.01236	3.1
70.87875	1.6
77.03839	0.8
78.95760	3.1
79.95590	2.5
80.82993	0.8
89.03806	0.8
91.03884	1.9
95.04878	1.6
95.95107	1.4
96.95876	19.1
97.83587	0.8
105.03339	9.2
121.02866	1.0
132.02046	3.7
133.02844	39.2
134.03664	9.5
135.04416	4.1
137.02347	4.9
139.03915	1.0
147.04343	1.4
148.05151	3.3
149.05965	1.4
150.03133	1.0
152.99484	1.9
160.01553	25.3
161.02351	19.7
161.05943	2.5
162.02834	1.0
171.07986	1.1
175.03911	66.0
176.04230	4.0
177.01720	2.4
178.02567	2.7
179.03302	2.4
193.05009	4.5
229.14236	0.8
233.08002	1.1
247.09622	2.2
260.17542	0.9
261.11298	1.5
271.22787	8.3
272.23007	1.3
282.15936	1.0
283.49991	0.8
289.14365	2.3
303.15851	2.1
317.17618	2.1
327.19623	1.7
331.19022	1.9
345.20639	4.6
346.56305	1.0
347.25934	2.1
358.91006	0.9
359.22293	2.1
361.27228	2.0
415.24805	9.7
429.20959	1.6
429.26425	21.1
430.26620	3.9
433.25873	3.5
447.27487	36.9
448.27975	5.7
506.28662	2.6
521.31409	100.0
522.31781	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	521.26
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79990	0.7
55.01752	1.0
57.03331	1.3
58.00471	2.1
58.29290	0.6
59.01248	100.0
60.01582	2.0
71.01249	33.9
71.07707	1.4
72.99178	5.4
73.02817	22.2
75.00793	0.8
77.42336	0.8
83.01270	3.2
85.02818	10.1
85.99979	1.2
87.00750	6.2
87.04401	2.7
89.02312	29.2
95.01290	1.1
99.00771	1.0
101.02318	55.3
102.02695	1.3
102.69817	0.6
103.03890	18.7
105.24479	0.7
107.40621	0.7
111.00768	1.2
113.02319	7.7
114.02651	0.7
115.03888	4.8
118.14848	0.7
119.03390	17.1
125.02349	3.3
127.03865	1.5
131.03384	9.0
143.03400	11.8
145.04974	4.8
149.04442	0.9
161.04539	1.6
163.06024	71.1
164.06400	2.2
179.05569	3.0
181.04979	0.7
205.07108	24.9
206.07498	1.6
230.39719	0.7
254.65652	0.8
265.09351	6.3
379.39117	0.8
461.24033	17.3
461.30380	1.2
462.24466	2.9
508.58408	0.9
521.33221	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19608	0.8
55.76569	0.8
57.37422	0.7
59.01248	8.9
70.71978	2.3
71.01266	5.6
71.41747	0.9
71.56686	1.2
73.02823	2.4
85.02815	1.4
89.02305	1.8
93.03302	3.9
101.02312	2.2
107.01302	1.0
109.02835	1.7
109.99987	1.6
110.04704	0.8
111.00734	0.9
113.02319	1.2
121.02844	6.5
122.03613	6.2
123.00795	1.2
123.04433	5.8
125.02378	1.0
133.02855	2.2
134.03625	70.8
135.04506	6.9
136.01537	1.4
137.02347	7.2
139.00291	2.6
139.03894	1.8
147.04410	1.1
149.02341	15.3
149.04305	1.4
149.04544	1.3
149.05969	17.0
150.03122	48.4
151.00206	3.6
151.03917	23.2
152.01071	1.9
152.04254	1.1
153.01840	1.1
159.04462	2.0
160.05151	4.2
161.05833	1.9
163.03874	1.2
164.01202	1.0
164.04720	3.6
165.05479	46.7
165.99014	1.6
166.05870	1.9
171.10175	0.8
173.04485	1.4
173.05949	1.2
175.07504	4.2
177.05553	1.2
178.02626	31.0
178.99719	3.7
179.03111	2.2
180.04184	2.5
181.04987	21.9
191.05507	4.5
192.04254	2.2
192.05925	0.8
193.04979	100.0
194.05399	5.8
195.06554	17.9
196.06911	1.6
199.03839	1.0
207.06519	1.5
227.03539	1.0
239.07086	1.4
243.02979	1.8
255.03062	1.1
259.02371	1.5
267.06583	1.7
270.01733	1.3
271.02417	8.5
272.03107	2.4
282.08911	5.6
287.01965	3.4
297.11230	1.5
299.01987	7.1
300.02444	1.2
315.12866	1.1
316.02219	14.1
317.02997	6.6
325.15988	0.8
329.09979	1.3
329.13882	17.3
330.14249	2.6
341.10260	23.1
342.10608	2.6
347.24249	0.9
389.12433	71.4
389.17789	4.4
390.12695	10.7
464.95193	0.8
479.08575	1.2
503.08429	2.5
521.09387	15.7
521.16510	2.0
521.25714	3.1
522.09540	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	95.5
63.89297	22.0
71.57743	28.4
78.95773	41.5
79.95573	23.6
96.00790	27.3
112.88705	24.5
114.91515	24.0
119.36090	22.4
121.37084	21.2
152.99443	31.1
250.67516	25.5
293.20984	31.6
427.90530	26.0
521.25659	45.9
521.32898	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	521.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.1
57.03317	1.8
58.00471	2.2
59.01247	100.0
60.01603	1.1
61.98707	1.3
69.03309	1.1
71.01250	36.4
71.58626	1.3
72.99187	2.3
73.02810	12.7
83.01261	4.3
85.02826	9.8
87.00748	3.2
89.02313	28.4
93.03373	1.9
95.01240	2.0
96.95894	1.4
97.02823	1.2
99.00761	4.4
101.02319	23.5
113.02317	13.0
119.03391	8.8
119.04919	3.6
121.02831	1.3
123.04410	1.3
125.02337	2.5
131.03465	3.2
135.04436	1.6
137.02307	1.2
141.01582	2.6
143.03322	1.3
146.06023	1.5
149.04451	3.0
151.06093	1.2
161.04459	4.0
163.03943	1.8
166.98975	1.0
173.04408	3.2
179.05508	2.3
184.09233	1.2
191.05534	4.5
193.25540	1.2
205.17073	1.1
213.14767	1.4
233.06918	1.1
246.59373	1.1
249.08896	1.2
299.20175	3.5
304.11603	1.0
329.19608	6.5
359.27942	5.5
401.25439	1.5
422.69479	1.2
440.04898	1.2
461.23932	69.5
461.30652	2.3
462.24390	10.3
477.26987	3.3
479.25992	4.1
521.33478	21.7
522.33649	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	521.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.6
59.01253	2.8
69.78664	1.9
71.01246	1.5
72.99194	0.5
73.02816	0.9
77.76817	0.3
83.01234	0.4
85.02827	1.2
87.00734	0.4
89.02311	0.8
90.12684	0.3
93.03347	2.0
95.01282	0.4
98.19862	0.5
101.02339	1.1
103.03899	0.3
106.04108	0.4
106.17982	0.3
107.04861	0.4
108.02064	0.4
109.02798	0.4
111.04352	0.3
113.02330	0.6
117.03354	1.0
119.04926	0.9
121.02840	13.1
122.03654	5.1
123.04424	0.9
124.01561	0.4
125.02354	0.8
131.03384	0.9
132.02019	0.4
133.02859	0.9
134.03627	48.7
134.26595	0.3
135.04510	2.9
137.02332	6.2
139.03912	1.7
147.04390	0.6
149.02345	20.1
149.05977	13.8
150.03123	43.4
151.00342	0.3
151.03824	2.8
152.01054	0.4
153.01851	0.8
162.03049	0.4
163.03949	0.5
164.04695	4.7
165.05478	59.1
166.05804	3.4
173.04529	0.4
178.02625	26.4
179.03026	1.7
179.98973	0.3
180.04161	3.8
181.04974	2.1
191.05545	1.4
193.04982	100.0
194.05328	5.4
195.06551	41.8
196.06943	1.7
197.11766	0.4
205.06563	0.6
221.06046	1.0
223.05867	0.5
223.07761	0.6
233.06055	1.2
234.06786	1.3
235.07680	0.5
238.06366	0.8
239.07074	3.7
249.05380	0.4
250.06349	3.2
251.07034	0.9
253.08594	1.7
254.09409	1.3
265.08719	0.9
267.06656	2.4
268.07028	0.6
274.04819	0.5
282.08960	11.6
283.09399	1.2
289.07034	2.0
297.07901	0.7
297.11267	1.2
298.11386	0.3
299.09332	0.4
304.11526	0.3
309.07925	0.3
313.07278	0.3
317.06699	0.8
326.08020	1.1
331.08145	0.4
341.10275	51.8
342.10596	5.9
359.14926	0.5
389.12442	18.2
389.17801	1.3
390.12848	1.9
521.15582	2.1
522.17029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95684	0.7
57.03306	1.1
59.01245	9.2
60.32803	0.8
60.99157	1.1
69.03310	1.1
69.58718	4.0
69.59134	2.0
71.01262	5.9
72.68336	0.8
75.00729	1.3
83.01258	0.9
85.02808	2.1
88.98666	1.8
89.02301	2.8
93.03322	3.8
95.01266	1.8
96.95892	1.6
101.02311	3.9
109.02843	1.0
111.00778	1.0
113.02294	2.0
119.03384	1.3
121.02836	13.8
122.03642	6.1
123.00744	1.9
124.01575	1.6
125.02306	5.0
131.03380	2.7
133.02847	2.4
134.03629	42.1
134.24841	0.8
135.04352	4.0
137.02338	12.9
138.02943	0.8
139.03864	2.6
144.58763	1.1
147.04402	1.5
149.02338	20.3
149.04730	1.1
149.05966	11.5
150.03128	50.7
151.00259	2.0
151.03679	1.9
152.01079	0.9
152.37460	0.9
153.01785	1.7
159.04489	2.0
160.05196	3.9
161.05963	1.5
163.03912	2.6
164.04683	5.2
165.05479	56.3
166.05772	2.3
173.04428	1.9
175.07571	2.9
177.05589	1.1
178.02629	24.6
178.06172	1.1
178.99748	2.5
179.03226	2.0
180.04169	3.9
181.04926	3.4
191.05536	6.1
192.05940	1.0
193.04980	100.0
194.05374	6.4
195.06544	44.9
196.06908	2.5
201.99271	0.8
221.06175	1.5
230.05901	0.9
239.07117	3.0
250.06322	2.6
251.07054	1.2
252.07959	1.1
253.08444	1.5
254.09779	1.0
267.06616	1.8
282.08990	10.5
283.09299	1.7
289.07236	9.2
297.11331	1.4
313.07181	1.4
315.12299	2.5
317.06586	3.8
329.13950	9.3
330.14191	1.1
341.10281	49.7
342.10568	6.0
359.15192	1.4
362.13763	4.5
377.16037	15.6
378.16159	1.6
389.12399	15.6
389.17996	5.4
390.12936	1.8
412.90796	0.9
493.13232	2.0
503.25397	1.1
521.16669	1.0
521.25787	2.7
524.10547	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39721	0.4
56.97608	0.4
57.03323	0.7
58.86575	0.5
59.01250	9.1
61.98699	0.5
65.00201	0.4
65.64151	0.4
68.99695	0.4
69.03313	1.1
71.01254	5.7
71.58218	0.8
71.97052	0.4
72.99178	0.6
73.02811	3.0
74.02348	0.6
79.01726	0.4
81.03331	1.4
83.01246	1.0
85.02822	3.4
87.00739	0.8
87.06928	0.4
89.02304	3.0
91.01778	0.8
91.25681	0.4
93.03327	2.3
95.01300	2.0
95.04903	0.5
97.02831	0.7
99.00763	0.6
99.04414	0.6
101.02322	3.9
107.01268	0.5
107.04937	0.5
108.02048	64.3
109.02850	24.5
110.03166	0.4
111.04423	0.5
113.02326	3.6
119.01275	1.3
119.03377	1.4
119.04945	0.5
121.02843	2.3
123.00744	2.0
123.04388	0.5
125.02332	1.9
133.02872	0.5
134.03647	0.8
135.00778	1.8
135.04395	1.5
137.02385	1.2
139.03955	0.9
147.00792	1.4
148.01561	1.4
149.02348	6.0
149.04420	1.0
150.03136	2.3
151.00285	0.8
151.03897	1.8
152.01054	66.8
153.01846	22.0
154.02263	1.1
161.02338	1.0
161.04463	0.4
163.03883	2.4
164.04724	3.8
165.01816	2.1
165.05392	1.2
166.02597	0.7
167.03439	1.6
173.04475	1.4
175.00275	9.3
176.01073	10.1
177.01724	1.1
179.03441	1.2
183.02847	0.5
189.01898	0.5
190.02637	23.8
191.03426	17.2
191.05467	1.6
192.03918	0.5
193.05029	0.8
194.02155	1.3
195.02856	0.6
205.05002	16.9
206.05400	0.9
207.02994	0.5
208.03746	0.8
209.04477	2.9
223.06032	2.6
243.02957	1.8
244.03377	0.6
245.03473	1.0
251.05511	0.5
255.02924	0.9
257.04153	1.0
259.83044	0.4
271.02539	2.1
272.02707	0.9
272.06924	0.6
273.03052	1.1
273.07733	0.9
283.02524	0.5
285.03925	1.0
287.04950	0.5
299.01971	3.2
299.18686	0.7
300.02432	2.6
301.02554	3.8
314.04395	1.7
315.07336	19.2
316.01746	0.6
316.04813	3.4
316.08096	0.8
317.05640	1.4
341.13809	0.7
353.08768	5.8
354.08945	0.5
367.10345	1.2
371.24329	1.2
389.17889	0.7
389.25406	6.6
477.14075	2.0
479.11047	0.8
479.24817	0.7
489.10510	1.6
506.10431	0.6
521.12970	100.0
521.26215	3.9
522.13318	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	521.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68040	0.4
56.79244	0.4
57.02125	0.4
59.01252	2.9
69.03339	0.7
69.44494	3.7
71.01252	1.9
73.02814	1.0
75.75605	0.4
85.02828	0.5
87.00734	0.5
89.02315	1.0
93.03322	1.6
101.02296	1.1
103.03908	0.5
113.02324	0.5
117.03340	0.6
121.02818	2.4
122.03624	4.3
131.03412	0.8
133.02856	1.7
134.03621	32.7
135.03882	0.8
136.01544	0.6
137.02333	5.2
139.03880	1.9
149.02342	7.4
149.04602	0.9
149.05962	10.6
150.03123	34.8
151.03551	1.6
158.63506	0.5
164.04686	1.6
165.05476	42.4
166.05840	2.3
173.04494	0.5
178.02618	22.4
178.99805	0.4
179.03041	0.7
180.04204	2.9
181.04932	0.9
190.72647	0.4
191.03957	0.4
191.05528	1.7
193.04980	100.0
194.05296	5.0
195.06549	35.7
196.06892	2.2
264.81815	0.4
267.06589	0.5
282.09015	0.9
285.53043	0.5
294.39627	0.4
314.04001	0.6
327.12332	0.6
341.06403	0.6
341.10291	4.4
355.02063	0.5
389.12396	4.5
389.17896	2.0
390.12726	0.7
503.91711	0.6
521.26459	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	4.7
59.01252	26.6
60.01577	1.4
65.00192	3.9
69.03307	1.4
70.09243	4.2
71.01252	6.5
72.99162	1.4
73.02825	2.0
75.00736	1.2
76.90907	0.9
81.03319	1.5
82.98328	0.9
83.01257	6.7
85.02820	3.6
87.00771	1.3
89.02318	2.9
93.03347	5.2
95.01270	8.4
96.95872	1.5
97.02860	1.5
98.19855	1.0
101.02332	4.2
107.01282	5.8
108.02060	2.1
109.02808	3.2
111.00743	3.0
111.04439	1.0
113.02322	2.6
118.42262	1.0
119.04898	1.2
121.02837	4.1
122.03619	2.9
123.00745	4.2
123.04433	1.1
124.01560	8.5
125.02335	43.2
126.02786	1.0
131.03346	1.3
133.02824	2.2
134.03627	24.0
135.04344	2.1
136.01590	1.2
136.33136	0.9
137.02344	8.6
139.00275	1.3
139.03886	3.1
146.03589	1.5
148.01527	1.3
149.02341	7.1
149.05995	6.1
150.03130	22.3
151.00272	25.5
151.03648	0.8
152.01042	13.3
153.01869	10.1
153.02994	1.3
159.04420	1.6
161.02338	1.1
162.03134	1.3
163.03867	2.5
164.04753	1.2
165.01787	2.7
165.05486	27.2
166.02649	0.9
166.05821	1.7
167.03415	1.4
169.01340	4.2
173.04454	4.1
175.00272	2.7
176.01048	2.7
177.01791	1.2
178.02625	13.1
178.99768	22.8
179.03259	2.2
180.04123	1.7
181.01337	3.5
187.03934	2.2
188.02975	1.0
188.04552	1.8
191.05493	8.8
192.04102	2.4
193.04988	44.6
194.02002	1.5
194.05324	1.7
195.06560	16.5
196.06873	1.2
202.06290	2.0
205.04984	1.6
207.06561	3.0
214.06343	1.3
215.23117	0.9
229.05084	1.2
230.05786	12.4
231.06351	2.7
241.04785	1.1
245.08171	9.8
256.03647	1.1
258.05252	2.9
273.07614	5.4
274.04868	10.5
282.08994	1.2
289.07175	100.0
290.07462	7.6
299.05411	1.6
303.08746	0.9
313.03824	1.7
313.07159	19.1
314.07358	1.6
316.02426	1.0
317.06628	37.0
318.06891	3.9
331.08234	10.2
332.08286	1.5
341.06641	1.5
341.10184	5.3
343.08072	3.2
359.07874	1.0
377.16022	3.8
389.12521	1.9
389.18109	2.9
493.13553	23.6
494.13818	2.1
521.14044	5.2
521.25751	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.13
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71460	1.5
53.14697	1.3
57.03341	1.8
59.01251	20.3
60.99159	2.6
67.01740	2.1
71.01256	11.4
71.57806	1.9
73.02814	2.6
75.00746	2.8
85.02822	6.1
88.98675	14.9
89.02303	8.2
93.03316	7.0
95.01276	1.6
96.95876	3.7
101.02319	6.5
108.02068	2.0
109.02818	5.7
110.35663	1.4
110.64110	1.6
113.02343	3.2
113.06681	1.5
115.91986	1.9
117.03345	1.5
119.03414	2.6
121.02812	14.6
122.03630	9.6
123.00758	4.8
123.04377	4.8
124.01563	3.8
125.02335	10.2
128.03439	2.9
131.03343	2.1
133.02885	2.1
134.03632	33.5
135.04454	8.8
136.01561	1.6
137.02338	48.2
138.03140	9.6
139.03877	3.2
145.02901	1.7
147.04424	2.9
148.05246	1.9
149.02339	18.1
149.04488	3.1
149.05962	9.5
150.03133	38.1
151.00241	1.7
151.03860	4.6
152.04700	3.0
153.01779	2.0
159.04424	3.8
160.05202	7.1
161.05989	6.8
163.03897	7.8
164.04715	7.3
165.05482	52.1
166.05785	2.6
173.04471	6.7
173.05847	2.0
175.07594	8.2
177.05421	4.2
178.02611	16.7
178.06204	3.4
178.99814	1.8
179.03264	2.8
179.07042	2.6
180.04184	4.9
181.04974	21.2
191.03824	2.5
191.05537	17.5
191.07117	3.0
191.10710	3.2
193.04994	75.5
193.06773	3.7
194.05330	5.1
195.06561	46.7
196.06920	1.9
204.57063	1.6
208.07335	2.0
209.08026	2.0
209.11845	2.0
221.06036	1.9
223.09720	1.7
267.06659	2.2
282.08920	7.5
289.07141	10.0
290.07709	1.6
297.11374	2.7
313.10724	2.3
315.09042	2.6
315.12311	17.3
316.12839	1.6
317.06677	3.4
317.10263	2.5
329.13940	18.3
331.11725	5.5
341.10248	31.5
342.10590	3.5
345.13379	3.4
359.15082	2.2
361.16379	4.6
362.13571	26.4
362.17383	2.5
363.14023	2.6
377.16046	100.0
378.16379	10.9
389.12402	9.9
389.18130	13.8
493.13528	1.8
521.22705	6.5
529.12323	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	521.0929
Annotation	Quercetagetin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
52.24152	0.5
59.01252	3.2
63.02293	0.8
65.00189	3.9
67.01752	0.8
68.99693	0.8
71.01267	1.1
72.99155	0.6
73.02820	1.3
80.99683	0.5
82.00436	0.7
83.01250	1.6
93.03355	0.8
95.01266	1.9
98.20605	1.5
101.02358	0.7
107.01258	4.5
108.02019	0.6
108.99220	0.7
109.02835	2.0
109.99979	20.8
111.00789	8.0
119.01297	0.6
121.02837	1.5
123.00795	3.9
123.04449	0.8
124.01556	1.9
124.98700	1.3
125.02342	3.5
134.03610	5.8
136.01588	1.8
136.98689	3.1
137.02328	1.6
137.99498	7.0
139.00272	20.2
139.01350	1.0
139.03891	0.6
140.00664	0.6
141.98906	0.9
143.04924	0.9
145.02835	0.9
147.00801	0.7
147.04369	0.7
148.01523	1.1
149.02374	2.7
149.06024	1.5
150.03139	4.6
151.00275	14.4
151.03868	1.7
152.01071	5.3
153.01782	0.8
155.04919	0.7
157.02921	0.5
159.04428	1.1
161.02339	1.7
163.00301	2.9
164.01051	4.3
164.98250	1.2
165.01843	1.1
165.05496	5.9
165.98990	23.1
166.64061	0.4
166.99756	8.0
169.01303	1.1
171.04445	1.9
173.02316	0.9
174.03082	1.1
175.03908	1.8
176.01021	1.4
177.01788	0.7
178.02641	2.4
178.99774	14.8
179.03271	0.7
180.00188	1.0
181.04953	1.2
183.04373	1.2
186.03070	0.8
187.03900	2.1
188.04526	0.8
189.01868	1.2
190.02501	0.8
190.99672	0.7
192.00507	0.9
193.01317	1.0
193.04996	8.0
193.06618	0.3
193.98514	1.7
194.99294	0.9
195.06544	1.8
197.02405	1.1
198.03130	2.1
199.03915	4.3
201.01813	3.8
202.02512	0.7
203.03452	2.9
204.04143	0.8
206.99352	1.5
208.00096	1.1
213.01820	1.0
214.02708	3.3
215.03407	3.4
216.04147	1.9
217.01437	0.7
218.02194	0.5
219.02921	0.7
226.02657	1.7
227.03444	6.6
229.01346	1.0
230.02107	0.8
231.03020	3.5
232.03668	1.5
239.03450	0.6
241.01352	0.8
242.02151	5.5
243.02962	11.6
244.03636	3.0
245.04463	1.2
255.02974	5.2
258.01712	0.6
259.02454	5.7
260.03146	0.8
261.03864	0.6
270.01694	9.8
271.02466	49.7
272.03027	7.3
273.03912	1.5
287.01959	31.0
288.02451	4.6
297.03946	0.5
298.01379	0.7
299.01950	29.3
300.02396	2.9
301.03488	0.6
315.01544	1.7
316.02216	100.0
317.02917	47.1
317.08368	0.7
318.03427	2.5
340.02176	0.7
341.02951	1.7
341.10239	0.8
389.12485	3.0
479.08160	6.1
479.13657	0.6
480.08719	0.9
503.08047	2.6
521.09351	83.9
522.09674	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	520.1254
Annotation	LL-D 42067beta
Peak:m/z	Relative Intensity
50.15129	0.4
50.22594	0.5
52.70222	0.5
55.80279	0.4
59.01241	0.9
61.98682	0.4
71.53259	0.4
71.57480	0.4
71.57875	0.8
71.81355	0.4
78.95769	0.6
106.79990	0.5
111.28359	0.5
121.02813	1.5
122.05731	0.4
122.25776	0.5
128.87137	0.4
134.07042	0.6
141.13046	0.6
240.04210	0.5
248.97021	0.9
274.98788	0.5
303.01587	0.7
303.05392	1.0
305.03226	2.4
318.48553	0.5
347.04413	1.9
357.06183	0.6
421.00864	1.0
437.03766	4.8
438.04019	1.1
452.99493	0.6
469.02765	0.9
505.10428	1.7
520.12531	100.0
521.12653	22.9
535.20361	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.8
72.00768	0.9
72.55669	0.8
78.95774	67.9
83.60949	0.8
96.00788	1.0
96.96844	6.0
126.37286	0.6
144.02917	1.6
145.03238	0.9
150.97913	1.5
152.99489	100.0
153.99770	1.5
171.00603	3.3
191.40715	0.8
277.21774	2.1
278.22089	2.7
279.23251	2.2
300.06909	0.8
354.51318	0.7
433.23584	41.2
434.24005	6.1
520.27039	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	520.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14319	0.2
52.50545	0.2
53.72560	0.2
67.63139	0.2
70.07896	0.3
70.27111	1.1
78.95774	45.6
79.70862	0.2
81.89684	0.2
92.28461	0.2
93.77898	0.2
96.96841	5.8
98.20490	0.3
107.24537	0.3
123.26983	0.2
150.97925	1.5
152.99486	100.0
153.99881	1.5
164.30342	0.2
171.00560	3.6
178.35185	0.2
187.53021	0.2
220.09184	0.2
279.23395	1.2
280.23520	0.3
420.79144	0.2
433.23557	20.6
434.23862	2.9
455.06970	0.2
494.76624	0.2
520.26746	3.4
521.27277	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34893	0.2
62.96250	0.2
66.48246	0.2
69.23714	0.4
69.24114	1.7
78.95772	45.0
96.21713	0.2
96.96839	5.7
150.97925	1.7
152.99483	100.0
153.99799	1.6
171.00562	4.2
186.86450	0.2
192.95692	0.2
246.70708	0.2
279.23285	1.1
300.29016	0.2
414.61487	0.2
420.00879	0.2
433.23572	22.7
434.23923	2.6
520.26746	4.4
521.27069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03295	0.2
57.44668	0.2
59.01247	100.0
60.01582	1.1
69.41637	1.0
69.42068	0.7
71.01248	3.6
73.02820	0.9
75.00741	0.3
83.01250	0.6
85.02814	1.9
87.00751	0.2
87.04401	0.4
89.02335	0.9
95.01282	0.5
97.02843	0.2
98.20513	0.3
99.00745	0.5
101.02328	2.0
101.85786	0.2
113.02322	4.2
113.03053	0.3
116.92681	0.2
119.03368	0.3
125.02317	0.2
143.03423	0.2
161.04466	1.4
179.03447	0.5
191.05643	0.3
197.59311	0.2
243.02559	0.2
255.03072	0.3
255.19757	0.3
271.02606	0.6
300.02747	1.8
315.05139	1.6
315.18286	0.6
328.30972	0.2
330.40576	0.2
387.24075	0.6
399.23813	12.8
400.24133	1.4
401.46362	0.2
417.24738	2.9
418.25555	0.3
459.26001	2.5
460.26462	0.2
519.31885	0.3
548.17078	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28932	0.3
53.69149	0.3
56.54585	0.3
58.37832	0.3
59.01238	0.8
62.57323	0.3
71.29344	0.4
78.95772	55.8
92.11658	0.3
96.96836	6.3
150.97951	1.8
152.99483	100.0
153.99828	2.4
171.00542	4.2
190.19020	0.3
290.06448	0.4
365.26852	0.3
432.22385	1.2
519.27228	11.7
520.27692	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.8
57.03312	1.3
58.00480	1.0
59.01248	100.0
60.01606	0.7
61.34351	0.6
61.98707	0.8
69.31802	3.6
69.32219	2.6
71.01246	19.9
72.99197	1.3
73.02821	6.3
83.01270	3.4
85.02822	10.1
87.00761	1.9
89.02309	9.0
93.03325	1.3
95.01276	2.1
96.67874	0.5
97.02782	0.6
99.00780	2.1
100.73338	0.7
101.02318	14.5
111.00817	0.7
111.04439	0.7
113.02328	10.4
119.03392	1.7
125.02339	1.2
131.03395	1.6
135.02908	1.4
135.04408	1.4
143.03387	0.9
149.04468	1.1
161.02330	1.5
161.04478	4.5
161.05627	0.7
162.83826	1.2
165.05466	0.6
173.04410	3.5
181.05078	1.0
191.03737	0.8
191.05592	1.9
225.08742	0.7
243.09825	2.7
255.19713	1.7
271.02457	1.2
301.12390	0.7
314.04181	0.9
315.05331	0.7
315.25500	1.5
327.25531	0.8
335.07758	0.7
335.83383	0.7
339.25494	1.8
357.26382	6.9
387.23611	0.7
397.22174	0.9
399.23859	4.9
405.28442	0.8
417.25064	4.9
439.23270	1.0
459.29660	2.2
475.25348	6.1
477.23318	4.7
477.30170	1.5
519.31732	41.1
520.31812	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	519.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	4.8
57.03320	3.9
58.00470	1.5
59.01250	100.0
60.01569	0.9
61.43668	0.5
68.99682	0.7
69.03339	1.3
69.56411	0.5
69.56725	4.3
71.01250	60.1
72.99183	1.6
73.02814	18.2
75.00749	1.3
83.01260	12.0
84.02025	0.7
85.02821	26.2
86.03165	0.7
87.00746	3.0
89.02310	10.5
93.03331	0.6
95.01249	6.0
97.02846	2.4
97.87254	0.5
99.00755	7.8
101.02318	41.9
111.00765	1.2
113.02328	27.1
114.02641	0.6
119.03416	2.5
123.04478	0.6
125.02328	3.3
129.01836	1.1
129.42152	0.5
131.03403	1.7
138.62337	0.6
143.03368	4.4
159.02887	4.3
160.07504	0.6
161.04456	19.1
179.05588	0.9
190.07684	0.7
205.03606	0.7
221.06599	1.3
271.02432	2.5
299.02008	2.1
314.04385	2.2
315.05054	1.3
315.18149	6.7
315.25519	0.7
357.19333	3.2
357.26526	0.7
399.23871	2.3
410.64871	0.6
417.24957	1.0
459.29947	1.6
477.23395	46.4
478.23718	4.4
519.11493	1.9
519.24469	20.2
519.31769	2.4
520.24701	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	519.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.2
58.02822	1.8
59.01247	100.0
60.01577	3.9
61.01686	1.6
61.98701	2.7
69.75156	6.9
71.01247	18.9
73.02830	6.5
74.02325	3.6
83.01250	2.8
83.04886	1.9
85.02814	8.2
87.00737	3.4
87.04367	2.3
89.02311	12.4
93.03323	3.4
95.01226	1.8
96.95885	1.7
97.06461	1.4
99.00730	2.1
99.05515	1.5
101.02313	13.3
101.63932	1.2
102.02647	1.1
103.00250	3.4
106.89322	1.1
109.02839	3.5
113.02322	9.0
115.91961	2.3
116.92731	8.6
119.03419	5.0
119.04889	1.1
121.02846	14.7
122.03586	4.3
123.04397	4.6
128.03442	5.9
131.03378	2.9
134.03635	1.6
135.04399	3.0
137.02336	2.2
143.03467	2.0
143.04524	6.7
144.04883	1.6
147.04402	2.4
149.02405	1.5
149.04443	5.7
149.05954	1.3
154.02670	1.2
160.00574	1.2
161.04521	2.4
161.05997	3.8
161.31715	1.1
165.05476	2.5
173.04468	3.0
173.05864	1.7
175.07556	1.9
179.05679	1.3
179.06984	2.1
183.04303	1.3
190.06305	1.6
191.05492	5.0
191.07068	2.5
203.03313	1.3
207.03188	1.2
215.03435	1.3
227.03423	3.2
242.02225	2.4
243.02899	14.1
244.03487	1.4
254.07803	1.7
255.02963	4.3
257.04507	3.2
260.23236	1.2
270.01572	1.4
271.02460	16.1
272.02710	1.6
272.08807	2.2
273.09192	1.7
285.04224	5.6
286.04745	1.2
297.11368	1.8
298.11868	1.5
299.01950	15.2
300.02768	6.0
301.02975	1.4
306.07785	7.7
307.07925	8.1
308.08078	1.3
313.10837	2.1
313.14398	2.3
314.04285	17.4
315.05017	12.3
315.18109	1.4
320.04980	1.1
328.13132	13.2
329.13367	1.2
343.15463	53.7
344.15878	5.7
361.16577	9.6
381.70508	1.3
387.16394	1.6
387.23761	12.6
388.23892	1.3
403.17633	24.2
404.17755	3.4
415.23132	5.5
433.24557	2.7
459.26065	1.2
519.11401	26.9
519.32275	2.2
520.11920	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	519.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.2
58.02822	1.8
59.01247	100.0
60.01577	3.9
61.01686	1.6
61.98701	2.7
69.75156	6.9
71.01247	18.9
73.02830	6.5
74.02325	3.6
83.01250	2.8
83.04886	1.9
85.02814	8.2
87.00737	3.4
87.04367	2.3
89.02311	12.4
93.03323	3.4
95.01226	1.8
96.95885	1.7
97.06461	1.4
99.00730	2.1
99.05515	1.5
101.02313	13.3
101.63932	1.2
102.02647	1.1
103.00250	3.4
106.89322	1.1
109.02839	3.5
113.02322	9.0
115.91961	2.3
116.92731	8.6
119.03419	5.0
119.04889	1.1
121.02846	14.7
122.03586	4.3
123.04397	4.6
128.03442	5.9
131.03378	2.9
134.03635	1.6
135.04399	3.0
137.02336	2.2
143.03467	2.0
143.04524	6.7
144.04883	1.6
147.04402	2.4
149.02405	1.5
149.04443	5.7
149.05954	1.3
154.02670	1.2
160.00574	1.2
161.04521	2.4
161.05997	3.8
161.31715	1.1
165.05476	2.5
173.04468	3.0
173.05864	1.7
175.07556	1.9
179.05679	1.3
179.06984	2.1
183.04303	1.3
190.06305	1.6
191.05492	5.0
191.07068	2.5
203.03313	1.3
207.03188	1.2
215.03435	1.3
227.03423	3.2
242.02225	2.4
243.02899	14.1
244.03487	1.4
254.07803	1.7
255.02963	4.3
257.04507	3.2
260.23236	1.2
270.01572	1.4
271.02460	16.1
272.02710	1.6
272.08807	2.2
273.09192	1.7
285.04224	5.6
286.04745	1.2
297.11368	1.8
298.11868	1.5
299.01950	15.2
300.02768	6.0
301.02975	1.4
306.07785	7.7
307.07925	8.1
308.08078	1.3
313.10837	2.1
313.14398	2.3
314.04285	17.4
315.05017	12.3
315.18109	1.4
320.04980	1.1
328.13132	13.2
329.13367	1.2
343.15463	53.7
344.15878	5.7
361.16577	9.6
381.70508	1.3
387.16394	1.6
387.23761	12.6
388.23892	1.3
403.17633	24.2
404.17755	3.4
415.23132	5.5
433.24557	2.7
459.26065	1.2
519.11401	26.9
519.32275	2.2
520.11920	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	519.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49679	1.1
55.01760	4.7
57.03320	5.2
58.00465	2.3
59.01252	68.2
60.01599	1.5
69.03314	2.1
69.24521	12.8
71.01253	73.6
71.58261	1.2
72.01601	1.8
72.99177	4.0
73.02819	23.3
74.02338	1.3
81.03329	1.4
83.01255	11.8
83.04897	37.3
84.05242	1.5
85.02824	24.9
85.99986	1.8
86.99683	1.2
87.00288	1.1
87.00763	4.6
89.02316	60.0
95.01257	7.4
97.02855	1.1
98.20557	2.7
99.00739	5.8
101.02322	56.6
103.03891	1.9
107.01258	1.6
109.02866	1.4
111.00718	1.8
113.02332	30.5
119.03395	12.7
123.04437	1.2
125.02378	2.1
131.03391	7.7
134.90604	1.0
135.04430	2.0
143.03413	5.0
149.04460	100.0
150.04788	2.4
151.00311	2.7
159.02933	5.3
159.04187	1.2
161.04468	32.9
164.04654	1.3
173.04572	2.0
177.01796	1.2
179.03436	1.8
179.05618	2.7
191.05531	2.9
193.19823	1.1
227.03401	3.0
239.78896	1.1
243.02972	5.1
255.02922	10.3
259.11667	1.2
271.02454	26.2
272.03012	2.1
285.12570	1.9
299.01797	1.6
300.02740	39.8
301.03439	16.7
311.10471	5.6
329.11554	4.9
337.08386	1.4
343.17606	27.9
344.17984	3.5
355.09451	5.3
387.16611	76.4
388.16943	7.3
487.13681	3.7
490.80435	1.2
519.11450	27.2
519.20874	26.0
519.26770	1.6
520.11755	3.6
520.21344	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	519.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.3
57.03322	2.8
58.00438	1.7
59.01250	100.0
60.01575	3.0
61.98700	2.8
69.03328	2.0
70.96867	1.6
70.97187	2.3
71.01252	36.3
72.99183	2.3
73.02821	12.0
74.02337	2.9
81.03329	1.4
83.01261	7.1
83.04896	36.3
85.02819	10.5
87.00762	2.7
87.04357	1.5
89.02320	30.3
93.03313	3.4
95.01266	2.6
97.06454	3.7
99.00741	5.8
99.04372	1.4
99.05525	2.8
101.02324	28.4
103.00253	4.1
103.03881	1.5
109.02827	4.3
113.02335	10.4
119.03381	12.6
121.02843	13.7
122.03678	6.6
123.04368	2.8
125.02346	3.1
125.05961	1.6
128.03438	6.2
131.03377	5.0
132.80457	1.2
135.04411	4.3
135.82393	1.3
136.05173	1.9
138.72066	1.3
143.03476	2.2
143.04527	8.1
147.04440	3.8
149.04457	61.8
150.04849	2.3
159.02855	1.7
160.00615	1.8
161.04460	7.6
161.05946	5.8
162.06810	1.6
163.07515	1.6
165.05466	3.0
171.10165	2.9
173.04504	3.7
173.05861	1.3
175.07384	2.1
177.05569	1.5
191.03534	1.4
191.05542	3.1
191.07123	2.8
221.11557	1.4
243.02951	4.7
247.13335	2.6
255.07965	1.5
265.14456	4.0
271.02399	5.4
273.09109	2.0
298.12231	1.7
299.01959	6.2
300.02484	2.1
306.07693	10.5
307.08081	7.6
308.07581	1.6
313.14423	2.4
314.04260	6.5
315.04953	4.0
328.13217	16.2
329.13162	1.5
343.15408	56.1
344.15808	6.4
361.16556	12.6
369.23074	1.4
387.16583	29.2
387.23892	21.8
388.16745	3.9
388.24121	1.5
399.23557	1.8
403.17624	22.1
404.18082	3.7
417.24002	1.9
449.16965	1.4
519.11523	6.8
519.20660	15.0
519.28497	4.2
520.21393	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	519.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36537	0.9
55.01742	3.0
57.03309	3.4
58.00445	2.7
59.01250	82.5
60.01556	1.8
66.05830	1.0
69.03330	1.3
69.24231	10.3
71.01255	74.1
72.01575	1.3
72.99176	4.0
73.02819	17.9
74.02299	1.2
75.00732	1.7
77.14327	0.8
83.01256	7.0
83.04897	26.7
85.02335	1.7
85.02826	25.1
85.99963	1.7
87.00749	6.1
88.98672	1.7
89.02316	72.3
90.29952	0.9
95.01253	4.0
96.95854	1.2
97.02806	1.6
99.00747	5.5
101.02322	49.6
111.00720	1.0
113.02335	26.0
116.92738	1.4
119.03388	24.4
125.02262	1.2
129.01868	1.2
131.03412	9.0
135.04419	2.9
137.02397	1.1
143.03438	5.7
143.04393	1.3
149.04465	100.0
150.04768	3.3
151.00264	2.1
159.02914	2.9
160.74466	1.0
161.04462	22.0
165.05440	1.6
173.04440	1.7
179.05522	4.5
191.05508	3.1
193.04829	1.0
195.06387	1.0
243.02846	2.6
255.02913	6.5
271.02475	14.4
272.02756	1.2
299.02014	1.2
300.02716	20.8
301.03491	8.2
311.10382	2.4
329.11038	1.0
343.17587	19.3
344.17953	2.3
355.09103	1.2
387.16577	67.0
388.16928	8.4
388.24677	1.2
434.32800	1.0
454.38184	1.0
519.11395	15.5
519.20758	26.9
519.27789	1.2
520.12183	2.2
520.21100	3.7
520.27887	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55561	0.8
55.01755	1.0
57.03312	1.2
59.01251	100.0
60.01586	1.4
63.65310	0.8
69.36586	1.7
69.36996	6.6
71.01254	17.3
72.99195	1.5
73.02817	6.2
75.00786	1.2
76.67816	0.8
81.68678	0.7
83.01274	2.5
85.02824	6.7
87.00765	2.1
87.04396	1.0
89.02319	5.2
93.03310	1.0
94.47522	0.7
95.01281	1.1
96.95898	1.3
99.00736	1.5
100.26167	0.9
101.02327	12.4
113.02332	8.2
116.92783	1.4
119.03389	1.5
125.02403	1.1
131.03416	1.9
140.17708	0.9
143.03424	1.5
160.84204	2.0
161.04539	3.8
162.83867	3.4
163.23186	0.7
173.04530	2.3
177.37080	0.7
179.03415	0.9
179.05606	0.8
191.05585	2.1
221.06596	1.2
221.94115	0.9
242.95413	0.7
254.19644	0.8
314.04285	0.9
315.25439	1.3
357.26590	3.2
387.23727	0.9
397.22345	3.1
399.23837	1.8
417.25284	1.4
439.23276	3.5
459.29697	3.0
475.25580	2.9
477.23315	4.4
477.30215	0.9
519.31812	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	519.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.0
57.03323	2.6
58.00458	1.8
58.02845	1.1
59.01250	100.0
60.01589	4.0
61.98694	2.3
69.03332	1.4
71.01252	34.9
71.58685	1.2
71.59067	1.7
72.99187	2.3
73.02814	9.6
74.02331	2.0
78.30424	0.9
79.15370	1.1
83.01252	5.2
83.04896	35.1
85.02818	10.5
87.00766	3.4
89.02314	30.6
92.38856	1.0
93.03356	2.2
95.01257	1.9
97.06477	2.5
99.00768	6.0
99.04450	1.0
99.05526	2.1
101.02322	32.5
102.81050	1.1
103.00244	3.7
109.02842	3.6
113.02310	10.0
119.03386	11.3
121.02840	10.9
122.03631	5.9
123.04397	2.3
128.03387	5.2
131.03394	4.5
135.04407	3.2
136.05154	1.6
137.02391	1.1
137.06052	0.9
143.03491	1.2
143.04497	5.7
147.04422	1.0
149.04459	63.2
151.00296	1.4
161.04469	9.6
161.05966	4.3
163.03891	1.1
165.05429	1.8
171.04259	0.9
173.04507	1.8
173.05922	2.1
174.06776	1.6
175.07602	1.5
178.99869	1.5
191.05495	2.5
191.07056	2.4
199.03902	1.0
210.08900	1.0
242.02104	1.3
243.02968	9.7
247.13298	1.6
254.07713	1.3
255.02742	1.6
257.04477	1.2
265.14435	3.8
270.01813	1.5
271.02469	9.0
272.08878	2.3
273.09134	1.2
285.03970	3.1
286.04535	1.3
297.11475	1.2
298.12112	2.2
299.01947	10.6
300.02673	3.5
306.07733	8.5
307.07874	5.4
313.11044	2.0
313.14413	4.1
314.04303	13.6
315.04904	6.5
328.13135	15.8
329.13574	2.1
343.15445	56.9
344.15958	5.7
361.16687	12.1
362.17050	1.2
387.16626	30.2
387.23807	10.2
403.17596	27.2
404.17966	3.0
451.77292	1.1
459.86929	1.1
477.10037	1.2
519.11383	19.3
519.20685	13.8
519.27899	1.5
519.32477	2.6
520.11914	3.0
520.21014	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.8
59.01252	18.9
60.01593	0.7
61.47178	0.7
65.00195	1.0
71.01252	5.0
73.02827	1.6
74.02351	1.6
83.01265	2.0
83.04903	1.9
85.01671	0.6
85.02822	2.3
89.02319	4.2
93.03319	1.5
93.16947	0.6
95.45428	0.7
97.06569	0.6
98.20617	0.5
99.00770	0.7
99.05526	1.1
101.02303	3.4
101.03870	0.9
107.01253	1.9
108.02050	0.7
113.02318	1.9
119.03410	1.0
121.02871	0.8
128.03442	3.4
135.00813	0.7
143.04485	3.3
144.04893	0.7
145.06111	0.7
149.04439	3.6
149.46930	0.7
151.00269	6.0
161.04466	1.2
163.00310	0.8
167.03403	1.6
167.04739	0.7
171.04488	1.1
172.51859	0.7
173.04523	0.7
177.03368	0.8
183.04442	3.0
185.02380	0.8
187.03894	1.0
191.05536	1.6
199.03894	8.8
201.01865	1.4
203.03455	1.1
210.08627	0.8
211.03986	1.3
215.03459	3.5
226.02725	1.2
227.03473	8.7
228.03983	0.8
230.39586	0.9
235.78012	0.7
242.02185	6.6
243.02959	41.9
244.03564	4.1
253.72746	0.7
254.02081	0.8
254.08040	1.3
255.02962	19.4
256.03268	1.5
257.04504	6.9
258.04810	1.3
259.06152	0.8
270.01730	6.2
271.02463	52.5
272.02921	7.4
272.08893	2.4
285.04010	13.8
286.04596	4.3
287.05499	1.7
299.01962	72.8
300.02661	29.3
301.03125	2.1
306.07727	3.4
307.07947	1.4
308.07574	0.7
313.98938	1.0
314.04315	67.0
315.05087	100.0
316.05472	8.8
343.15530	0.8
357.06134	1.3
359.25253	0.6
387.16702	1.8
387.24011	1.8
415.23416	1.3
464.36252	0.7
519.11426	78.3
520.11798	12.5
520.23047	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1141
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.32788	0.4
53.54500	0.5
53.78869	0.4
53.87317	0.4
59.01254	7.0
62.67452	0.5
65.00208	1.3
71.01250	2.4
71.86316	0.5
73.02799	1.2
76.68117	0.4
79.69324	0.4
81.03333	0.5
83.01238	0.5
83.04913	0.6
85.02808	0.9
88.98675	1.1
89.02309	2.0
101.02301	2.3
101.03858	0.6
107.01245	1.9
109.02782	0.5
113.02316	1.2
119.03337	0.7
125.02338	0.8
133.02835	0.4
143.04823	0.9
145.02837	0.9
147.00777	0.6
148.01564	0.6
149.04469	1.0
151.00269	8.0
152.00862	0.5
153.01826	0.8
155.04941	1.2
157.02859	0.6
159.04453	0.7
161.02258	0.7
161.04466	0.6
163.00256	0.7
165.30983	0.5
169.01447	0.6
169.02873	1.2
171.04424	2.0
173.04413	0.7
175.04007	0.6
178.99812	0.7
183.04446	3.3
185.02298	1.1
187.03879	1.6
189.01814	0.6
191.05534	1.4
199.03926	10.6
201.01811	1.2
203.03430	1.3
204.04089	0.6
211.03906	1.3
215.03439	5.4
225.01886	0.5
226.02637	0.8
227.03473	9.7
228.03722	0.7
229.01236	0.7
231.35872	0.5
242.02144	6.6
243.02950	43.5
244.03404	3.0
255.02957	18.6
255.05167	0.5
256.03305	1.5
257.04520	7.1
259.06024	0.7
270.01666	6.6
271.02457	59.8
272.02890	5.7
285.04034	12.2
286.04584	3.3
287.05423	1.0
299.01947	97.6
300.02606	24.1
301.03116	1.7
306.07486	0.7
309.07294	0.6
313.03448	1.4
314.04294	94.7
315.05023	54.2
315.08939	0.9
316.05405	3.9
357.06146	1.0
387.16318	1.3
387.23727	1.2
459.09775	1.0
477.10376	9.1
478.10568	1.4
519.11407	100.0
520.11792	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1142
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.58760	0.2
59.01252	7.8
60.01581	0.3
65.00172	1.2
71.01262	1.0
72.00756	0.4
73.02817	0.6
85.02833	0.4
89.02336	0.4
91.01773	0.3
93.03309	0.4
97.02830	1.1
101.02328	0.5
107.01289	0.5
108.02100	0.4
109.02839	2.2
113.02312	0.7
121.02845	3.8
133.02919	0.3
143.04924	0.4
144.02899	1.8
147.00760	0.3
148.01544	0.4
149.02361	0.5
149.99498	0.4
151.00275	1.0
157.02827	0.3
161.02383	0.4
161.04411	0.4
163.00264	0.6
163.03938	0.4
165.01837	11.8
166.02106	0.4
171.04439	0.8
175.03979	0.5
183.04361	0.4
187.03905	0.5
190.99838	0.3
193.01350	2.1
195.07690	0.3
198.03192	0.3
199.03920	3.5
201.01881	0.9
203.03395	0.6
206.02112	0.3
215.03447	1.9
225.01961	0.4
225.08788	1.6
226.02589	1.3
227.03401	3.7
228.04018	0.5
229.01297	0.5
232.03708	0.3
242.02165	0.9
243.02940	6.8
243.09866	2.8
244.03534	0.7
254.02208	2.1
255.02948	3.2
256.03735	0.7
257.04498	0.6
259.06140	0.6
269.04504	2.5
270.01630	0.9
270.04745	0.3
271.02469	72.4
272.02832	5.9
282.01724	0.3
285.04053	2.7
286.04617	0.5
287.05588	1.2
297.04062	0.7
299.01950	100.0
300.02484	15.2
301.03119	0.8
314.04309	93.7
315.05029	54.3
316.05405	4.3
357.06110	1.1
358.06506	0.4
399.23553	0.5
477.10367	4.5
477.24283	0.4
478.10403	0.6
519.11426	68.6
519.31891	1.6
520.11749	10.6
520.19727	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29989	0.2
57.60435	0.1
59.01250	0.4
62.96279	0.2
71.57697	0.2
78.95773	46.1
84.66227	0.1
85.24530	0.1
96.96836	5.9
99.23639	0.1
99.92473	0.2
101.35004	0.2
150.97923	1.6
152.99484	100.0
153.99831	1.7
171.00543	4.2
194.92870	0.2
215.70197	0.2
226.72809	0.2
277.21716	0.7
431.22009	19.7
432.22415	2.6
518.25244	3.8
518.32556	0.3
519.26471	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04784	0.2
59.01231	0.3
62.96282	0.3
76.55339	0.2
78.95773	45.1
85.52883	0.2
89.44359	0.2
96.96254	0.5
96.96839	5.3
117.06736	0.3
122.61821	0.2
149.80830	0.2
150.97925	1.5
152.21602	0.3
152.99484	100.0
153.99840	1.2
171.00575	4.4
212.78822	0.3
216.29811	0.2
229.60760	0.3
277.21841	0.9
389.62216	0.3
393.26801	0.3
406.93234	0.3
431.21985	20.3
432.22272	2.1
518.25232	3.1
519.26404	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63120	0.2
59.01256	1.6
62.96270	0.3
69.40778	0.5
69.41179	2.2
77.49572	0.3
78.95773	64.9
92.34680	0.3
92.44732	0.4
96.96835	5.6
99.92464	1.0
109.15078	0.3
148.17548	0.3
150.97932	2.2
151.93768	0.3
152.99484	100.0
153.99838	1.3
171.00575	2.8
190.31567	0.3
239.20184	0.5
277.21695	1.6
383.50510	0.3
411.69089	0.3
431.21988	43.7
432.22318	4.3
470.28976	0.3
517.56671	0.3
518.25165	4.4
519.27045	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	517.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	1.4
59.01251	27.4
63.18402	0.9
66.80666	1.1
71.01245	8.0
71.58485	1.9
72.99178	2.8
75.12618	1.1
89.02316	16.1
91.03880	70.6
93.80055	1.0
97.14779	1.2
128.33273	1.2
304.16263	1.3
307.30038	100.0
308.30322	9.4
351.29028	52.1
352.29596	5.5
369.30069	57.7
370.30234	5.4
396.64551	1.3
425.32724	25.4
426.33151	4.0
443.33762	44.7
444.34073	6.9
449.07181	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94913	0.5
57.03364	0.5
59.01248	100.0
60.01577	1.4
65.16068	0.6
69.40597	5.1
71.01250	11.5
72.99178	0.8
73.02814	9.3
73.03186	0.8
76.56184	0.6
83.01259	3.6
85.02836	2.9
87.00774	1.0
89.02312	4.7
93.03361	1.1
93.05134	0.6
95.55313	0.6
98.19785	1.0
99.75924	0.6
101.02317	14.2
113.02319	6.6
113.02948	0.6
116.92773	0.7
119.03419	1.5
125.02321	1.1
131.03433	1.4
143.03406	1.5
149.04480	1.2
161.04463	3.3
173.04480	1.9
179.03433	0.8
179.05554	1.0
191.05560	2.3
213.24988	0.6
253.18083	1.0
355.24557	0.6
397.22281	2.6
415.23431	2.4
457.24606	2.2
517.30273	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	517.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.2
55.11964	0.1
57.03330	0.1
58.00484	0.1
59.01250	4.5
69.33389	1.1
71.01253	3.6
72.99174	0.3
73.02815	0.8
78.95783	0.4
83.01252	0.5
85.02820	1.0
87.00745	0.5
89.02310	2.7
91.03871	0.2
95.01261	0.3
95.32675	0.1
97.02837	0.1
99.00769	0.3
101.02322	3.9
107.05721	0.1
113.02325	1.7
115.03806	0.1
119.03404	0.9
125.02315	0.2
131.24249	0.1
133.04909	0.3
143.03409	0.3
145.02942	0.1
150.97923	0.1
152.99464	0.8
155.67572	0.1
157.04971	0.2
161.04471	1.4
179.05540	0.4
232.42398	0.1
232.56490	0.1
232.58952	0.1
235.08192	1.0
253.09258	12.8
254.09595	0.7
281.24841	100.0
282.25195	10.1
282.28470	0.2
295.26474	0.1
331.99908	0.1
435.24899	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
59.35099	1.1
60.01583	1.1
69.97799	3.3
69.98213	2.6
71.01249	12.9
73.02816	4.2
83.01276	1.4
85.02824	5.0
87.00732	1.8
89.02316	7.5
94.78568	1.2
95.01249	1.3
98.19744	1.3
99.00741	1.2
101.02316	9.5
113.02322	11.6
119.03381	4.0
119.04918	1.6
143.03369	2.0
158.66191	1.3
161.02362	1.8
161.04448	3.2
165.01830	4.0
191.05525	3.0
254.02007	1.2
313.03351	2.9
355.04523	9.0
385.22156	3.5
397.22318	11.6
398.22818	1.7
415.23309	5.9
457.24258	3.2
461.27618	1.4
517.09515	9.7
517.30090	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	517.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05438	0.4
59.01249	100.0
60.01583	1.1
70.85843	0.5
70.86189	0.7
71.01262	2.3
73.02808	0.7
80.14854	0.3
85.02842	1.0
89.02321	1.0
93.03356	1.0
96.95891	1.0
101.02336	1.3
109.02886	0.4
111.04378	0.4
113.02341	0.8
119.04960	0.5
121.02821	0.5
125.02303	0.6
133.02774	0.3
135.04404	3.3
141.01889	0.6
141.59854	0.3
147.04407	0.4
149.02350	0.3
149.04468	0.6
151.07565	0.3
161.02350	0.9
161.04506	0.7
163.03905	0.4
164.04776	0.4
173.04465	1.4
175.03912	0.5
179.03430	2.9
181.61774	0.3
190.02626	0.3
191.03799	0.3
191.05525	5.3
191.07130	0.5
223.06125	0.7
325.07208	0.7
343.07843	0.5
353.08908	0.3
397.22336	0.5
415.23444	0.6
457.24359	4.3
458.25049	0.6
482.33722	0.4
488.96310	0.3
514.44324	0.3
517.14001	1.2
517.26379	2.3
518.13983	0.4
518.26495	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78758	0.2
58.85972	0.3
59.01250	100.0
60.01596	1.1
70.60549	0.6
71.01256	3.5
73.02823	0.5
79.21090	0.2
84.03933	0.2
85.02834	1.1
87.00729	0.3
89.02328	2.7
93.03342	0.3
95.01289	0.5
96.95852	0.2
101.02304	2.0
101.41846	0.2
109.15937	0.2
109.59673	0.2
113.02338	1.7
119.03417	1.0
135.04419	0.5
135.19125	0.2
143.03365	0.5
149.04384	0.4
158.15266	0.3
161.02405	0.3
161.04526	0.3
170.02043	0.3
173.04500	0.5
179.03418	0.4
179.05566	0.6
191.05571	1.3
326.75418	0.2
415.23178	0.4
457.24661	1.3
463.37415	0.2
517.18396	0.7
517.26807	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2651
Annotation	Gusanlungionoside C
Peak:m/z	Relative Intensity
55.01773	0.5
56.47573	0.4
56.53572	0.4
57.03316	0.7
58.00493	0.4
59.01250	100.0
60.01587	1.2
60.81033	0.5
69.03346	0.8
69.39413	4.0
71.01250	8.2
72.01591	0.5
72.99195	1.1
73.02811	2.2
83.01264	0.7
83.04893	1.6
85.02820	3.4
87.00761	0.9
89.02318	7.0
89.02831	0.6
93.03336	2.2
95.01285	0.7
96.95894	2.3
97.06451	0.6
98.95473	1.3
99.00731	0.7
99.04431	0.6
99.92479	2.9
101.02327	5.4
109.02886	0.7
111.04378	0.5
113.02322	3.4
114.19737	0.4
115.91958	3.8
116.92745	15.3
117.92790	1.3
119.03357	3.1
121.02905	0.7
125.02393	0.6
125.24495	0.4
130.23445	0.5
133.02847	0.5
134.03674	0.7
135.04424	6.0
137.02356	1.0
143.03471	0.7
143.04527	0.5
149.02365	0.7
149.04471	1.7
151.00307	0.7
156.71529	0.4
161.02415	0.4
161.04494	1.2
165.01884	0.4
173.04543	2.9
175.04004	0.5
179.03372	4.2
179.05614	0.9
179.10767	0.9
179.99840	0.5
187.07518	0.5
191.05554	7.7
194.48294	0.4
223.06299	0.5
251.12914	1.8
263.13101	0.5
275.09451	0.5
299.02295	0.6
306.07776	0.7
337.09488	0.8
341.03110	0.4
353.08594	0.6
385.22415	1.0
395.08478	0.6
397.22278	1.2
415.23499	1.6
457.24420	1.9
517.10553	1.8
517.30048	1.5
518.31506	0.6
520.98822	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.4
57.03325	0.5
58.00451	0.3
59.01249	100.0
60.01587	1.0
60.42279	0.2
60.76133	0.2
63.03109	0.3
71.01248	10.4
71.58259	0.5
72.99189	0.7
73.02822	2.1
75.00734	0.3
81.03339	0.3
83.01273	1.1
83.04902	1.2
85.02825	3.9
87.00761	1.0
89.02312	6.8
93.03355	1.2
95.01287	0.8
96.95901	1.2
97.02827	0.3
97.50738	0.2
98.95481	0.5
99.00777	1.1
99.92489	0.8
101.02324	5.8
105.01831	0.6
109.02885	0.3
111.04401	0.4
111.28491	0.3
113.02322	5.1
115.91953	1.9
116.91983	0.3
116.92740	6.1
119.03384	1.9
119.04931	0.3
120.01306	0.2
125.02348	0.5
131.03424	0.5
133.02855	0.3
135.04399	2.2
136.04729	0.3
137.02371	0.6
139.03905	0.2
143.03418	0.6
149.02432	0.5
149.04449	2.7
152.01067	0.3
159.02835	0.3
161.02370	1.0
161.04483	2.0
167.03419	0.3
173.04459	1.6
179.03438	1.8
179.05574	0.9
179.10713	0.4
180.03703	0.3
191.05501	3.4
192.05952	0.7
193.06145	0.3
223.09695	0.3
315.10898	0.3
353.08707	0.3
354.09338	0.4
355.09311	0.5
355.25217	0.3
385.15070	0.7
385.22571	0.4
395.08252	0.3
397.22293	0.8
404.70303	0.3
415.23541	1.4
457.24368	3.0
458.24884	0.4
517.10999	0.9
517.19061	0.7
517.27173	1.6
518.12048	0.3
518.19904	0.4
525.48395	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29794	0.6
55.01761	1.1
57.03317	1.7
58.00464	3.0
59.01250	63.5
66.47703	0.7
69.03321	3.9
71.01252	74.3
72.01585	1.4
72.99181	4.0
73.02814	22.1
75.00743	1.4
81.03320	1.7
83.01267	3.0
83.04880	1.6
85.02824	11.6
87.00745	2.8
89.02315	100.0
90.02658	1.6
93.03320	0.9
95.01237	1.5
96.95850	1.0
97.02821	7.5
99.00757	37.5
101.02322	34.6
102.02631	1.1
105.52395	0.8
107.04927	0.8
108.05658	0.9
110.42921	0.7
111.00756	1.4
113.02332	13.2
113.03539	0.8
113.06024	0.7
115.03879	3.7
119.03409	5.3
122.03609	0.8
123.08057	2.3
125.02334	22.3
125.05950	0.8
127.03917	1.3
131.02440	1.5
131.03395	18.7
134.03632	1.7
135.04413	1.7
136.05205	1.5
138.06763	6.8
139.00276	0.7
139.07553	2.7
143.03398	3.7
147.08112	1.1
149.02502	1.4
149.04469	41.1
150.04654	0.9
151.07562	6.6
152.04794	0.9
152.08330	24.8
153.09117	24.6
154.09465	1.1
159.02887	1.1
160.01588	1.6
161.04454	8.3
163.00296	1.1
163.11188	4.9
173.04488	2.5
175.03885	2.4
179.03445	0.8
179.05579	1.0
187.11142	1.0
189.09319	0.7
190.09924	1.7
191.05531	20.6
198.26411	0.9
205.12274	46.1
206.12634	2.7
208.03644	1.0
221.06506	1.0
223.06067	4.8
223.13223	3.3
233.06631	18.5
234.07054	1.1
235.06235	0.8
251.07776	1.3
287.04568	0.6
293.08792	15.1
347.79907	0.8
365.14474	2.0
385.18503	5.0
501.87994	0.8
517.22888	78.1
518.23218	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	517.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.6
70.70709	0.6
70.71088	0.6
71.01237	0.4
85.02816	0.4
88.18884	0.3
89.02304	0.7
90.66937	0.3
93.03346	0.8
109.02827	0.4
110.07111	0.3
121.02857	2.0
133.06442	0.3
134.03612	0.5
135.04422	2.1
137.02370	0.4
149.02347	20.6
149.04413	1.5
150.02715	0.9
151.03870	0.5
152.01060	5.1
163.03923	4.0
164.04704	20.2
165.01802	1.2
165.04976	0.6
167.03366	0.7
169.04971	3.2
177.05495	0.4
179.07045	8.8
180.04149	0.4
180.07373	0.5
191.05527	0.5
193.01340	11.7
194.01828	0.3
208.03712	37.8
209.04091	2.1
223.06067	100.0
224.06413	5.8
265.07098	0.5
333.34769	0.3
355.10245	0.6
385.11374	17.6
386.11969	1.6
517.15802	2.7
518.16064	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81780	0.5
59.01255	1.1
63.99688	0.5
69.52489	0.5
69.89609	2.0
69.90021	1.1
71.01218	0.6
78.45962	0.5
85.02810	0.7
93.03357	0.9
96.95876	0.9
98.19822	0.6
109.02763	0.5
121.02849	2.9
123.04272	0.6
131.03392	0.6
134.03656	0.6
135.04398	2.4
137.02315	0.6
138.43951	0.6
149.02342	23.5
150.02640	0.5
152.01056	4.1
161.02286	0.9
163.03905	3.0
164.04698	23.0
165.01863	1.0
165.05080	1.3
167.03435	1.0
169.04973	2.0
172.33542	0.6
179.03300	0.7
179.05644	1.0
179.07074	10.2
191.05467	2.7
192.05826	0.6
193.01343	7.8
193.04817	0.6
208.03699	26.5
209.04039	1.2
223.06059	100.0
224.06422	4.8
247.03314	0.5
263.02692	0.7
265.07336	0.8
324.08151	0.6
360.15082	0.6
385.11386	22.1
386.11682	1.8
517.14490	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	515.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.3
57.03327	0.2
58.00464	0.3
59.01248	4.9
68.15914	0.1
69.03322	0.1
70.43636	0.1
70.52541	0.1
71.01252	4.5
71.57916	0.1
72.99186	0.3
73.02818	1.0
78.95781	1.5
80.43624	0.1
83.01257	0.5
83.04870	0.1
85.02818	1.1
87.00746	0.5
89.02315	3.3
91.03873	0.1
95.01241	0.3
96.95914	0.1
96.96845	0.1
97.02835	0.1
99.00744	0.3
101.02321	4.1
102.02642	0.1
103.03883	0.1
113.02321	1.7
114.02677	0.1
115.03870	0.2
119.03394	1.0
125.02325	0.2
131.03409	0.2
133.04953	0.3
143.03372	0.3
152.99478	2.2
153.00735	0.1
157.04929	0.1
161.03178	0.1
161.04465	1.6
179.05508	0.6
192.42090	0.1
196.27524	0.1
203.39096	0.1
210.23724	0.1
235.08211	1.2
253.09259	14.2
254.09506	0.6
261.22229	0.3
279.23273	100.0
280.23618	9.2
433.23651	0.7
463.32840	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	515.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47444	0.7
55.90380	0.7
59.01250	27.2
71.01254	2.9
73.02817	2.8
78.95775	4.2
79.95613	2.5
85.02811	0.9
89.02309	1.7
94.73453	0.7
96.95889	100.0
96.96785	7.1
98.19743	1.3
101.02338	3.2
106.56608	0.7
113.02348	2.0
114.93292	2.3
119.03425	0.8
129.18492	0.7
132.97885	0.6
135.04465	0.9
161.04446	0.9
173.04478	1.0
177.68140	0.8
179.03471	0.9
187.35207	0.6
191.05417	1.6
229.90807	0.7
387.35928	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11400	0.2
55.08787	0.2
55.26319	0.2
57.03299	0.3
58.71472	0.2
59.01248	100.0
60.01590	1.0
69.45815	2.3
69.48354	0.2
71.01244	2.7
73.02821	1.7
74.35815	0.3
83.01241	0.6
85.02832	1.1
87.00754	0.3
89.02305	1.5
93.03351	0.4
95.01254	0.4
96.95872	3.0
98.19811	0.4
101.02323	2.1
113.02341	1.2
119.03400	0.3
125.02396	0.4
135.04430	0.4
143.03517	0.3
155.03607	0.3
161.04478	0.7
164.05368	0.2
173.04585	0.7
191.05540	0.7
241.95206	0.3
252.41394	0.3
261.98663	0.3
395.20728	1.5
413.21869	0.8
455.22800	2.6
456.23492	0.3
515.29108	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	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.3
57.03305	0.1
58.00469	0.2
59.01249	4.9
62.34190	0.1
69.15188	0.1
71.01250	3.8
71.22099	0.1
72.99181	0.2
73.02817	0.8
75.00713	0.1
77.32394	0.1
78.95770	0.6
83.01252	0.5
85.02821	0.9
87.00746	0.6
89.02316	2.8
91.03885	0.2
95.01247	0.3
97.02798	0.2
98.29404	0.1
99.00742	0.2
101.02319	3.9
103.03867	0.2
110.28429	0.1
113.02323	1.8
115.03915	0.2
119.03382	0.8
125.02344	0.1
131.03426	0.1
133.04956	0.4
143.03406	0.3
152.99496	1.0
157.05006	0.1
161.04451	1.3
161.05664	0.1
179.05519	0.5
215.48315	0.1
230.38113	0.1
235.08176	1.0
253.09251	13.6
254.09584	0.6
261.22238	0.3
261.28217	0.1
279.23267	100.0
280.23611	9.0
379.84106	0.1
433.23624	0.2
434.24481	0.1
477.34131	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	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.1
67.14722	0.5
68.43592	0.6
69.65941	2.2
69.66365	2.3
71.01253	1.5
81.03287	1.1
81.74160	0.6
85.02829	2.0
93.03339	2.6
94.01770	0.6
96.95905	1.4
101.02301	0.9
107.04908	1.8
109.02850	1.5
117.07225	0.5
123.04443	0.9
133.02875	1.1
135.04411	3.7
136.34207	0.6
161.02351	2.9
163.03828	1.0
173.04498	2.0
177.05484	0.8
179.03432	2.6
189.01836	2.1
191.03508	2.4
191.05536	8.3
192.00520	0.8
205.01395	1.5
206.02132	8.2
207.02927	100.0
208.03284	3.8
214.69197	0.7
215.07175	0.9
265.10764	0.7
279.06204	0.7
326.21085	0.7
351.07230	1.6
353.08920	0.7
456.56656	0.6
487.52710	0.8
515.14014	14.6
516.14374	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	515.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.1
59.91955	0.8
60.99148	0.8
64.03795	0.8
67.01747	2.8
71.01254	1.1
71.57708	0.9
79.74515	0.8
83.04905	1.0
85.02824	5.4
87.00746	4.8
93.03332	15.6
96.95873	1.4
109.02839	1.5
111.04387	2.0
127.03906	2.2
133.02841	2.3
135.04414	18.5
145.02856	1.1
146.40800	1.0
161.02344	10.0
173.04478	5.2
179.03423	12.7
191.05533	100.0
192.05930	4.1
235.07857	0.9
260.77005	0.9
283.80826	0.9
298.04532	1.1
311.98947	0.9
323.07864	2.2
332.46939	0.9
341.06360	1.3
353.08743	13.6
354.08990	1.1
395.09897	1.6
512.01556	1.1
515.14020	57.4
516.14319	4.7
530.74164	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28472	0.3
59.01250	1.4
67.01785	0.4
67.08317	0.3
70.40939	1.3
71.01249	1.1
73.02828	0.6
74.12064	0.3
81.03313	0.7
82.32304	0.3
83.04908	0.5
85.02818	9.8
87.00753	1.5
93.03328	3.8
98.20512	0.4
99.04388	0.6
107.04888	0.4
109.02842	1.2
111.04391	1.5
113.02290	0.4
117.03348	1.6
127.03904	3.1
132.02077	1.7
133.02840	7.7
134.03239	0.4
135.04404	3.2
155.14409	0.3
160.01541	2.8
161.02350	51.1
162.02776	1.6
163.03880	0.4
171.02913	0.8
173.04443	2.1
179.03404	4.5
191.03676	4.7
191.05537	100.0
192.05916	3.8
205.01338	0.5
206.02094	0.7
207.02930	12.1
208.03389	0.6
222.17342	0.4
223.06018	0.7
323.07684	42.0
324.08102	2.6
341.08881	1.7
353.08765	3.5
440.39386	0.3
506.44769	0.4
515.13983	34.1
516.14386	3.5
532.52307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28342	0.4
59.01249	6.9
61.98704	0.9
68.69772	0.5
71.01257	4.4
73.02810	0.7
76.53452	0.4
78.95770	1.8
83.01229	0.8
85.02814	1.5
87.00750	0.8
89.02325	3.6
98.20531	1.8
99.00671	0.5
101.02312	4.6
113.02350	2.5
119.03379	1.2
125.87203	0.6
126.87968	0.8
143.03426	0.6
152.99454	1.4
157.86177	0.8
161.04443	1.9
230.20049	0.6
235.08240	0.8
253.06660	1.1
253.09241	16.6
254.09665	0.7
267.00882	0.5
275.20139	0.5
276.08151	0.5
277.21710	100.0
278.22058	9.6
279.23315	1.5
313.83710	0.5
404.33157	0.5
405.10550	2.8
409.30911	0.6
478.13364	1.0
513.30066	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57224	2.4
55.66305	2.5
59.01251	100.0
67.55292	2.0
71.58476	3.1
78.95754	10.4
83.76326	2.5
115.18742	2.6
125.87229	5.5
126.87955	6.9
152.99429	5.0
157.86165	5.6
234.74673	2.6
277.21741	39.2
278.22128	4.4
279.23251	6.8
386.97476	2.8
393.47568	2.7
397.30997	4.5
405.10690	11.9
478.13202	13.0
513.32172	18.9
514.33002	3.4
529.45026	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	514.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32545	0.1
54.20224	0.1
55.35023	0.1
59.01247	18.1
60.01582	0.2
61.01678	0.2
61.98700	100.0
62.02540	0.1
62.98392	0.1
63.31174	0.1
67.99250	0.1
70.45892	0.1
70.95382	0.1
71.01251	0.8
73.02821	0.3
80.10827	0.1
81.03322	0.1
83.04893	0.4
84.05200	0.1
85.02821	0.3
89.02318	0.3
93.03337	0.2
96.56339	0.1
96.95880	0.4
98.19750	0.3
99.00745	0.2
99.96680	0.1
101.02294	0.3
113.02316	0.3
119.03371	0.2
133.02850	0.2
135.04404	0.4
146.67812	0.1
149.05942	0.4
164.04636	0.2
173.04515	0.3
178.06059	0.1
179.03378	0.4
179.05566	0.2
179.07011	0.2
191.05562	0.7
197.28267	0.1
222.56406	0.1
223.06187	0.2
253.08527	0.1
265.07031	0.2
379.16541	0.1
452.33218	0.8
453.33551	1.1
454.33719	3.0
469.40143	0.1
515.25177	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	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83073	0.8
53.02246	0.9
57.03316	0.8
59.01236	2.5
67.01728	2.2
71.01244	3.0
71.57330	1.5
73.02823	1.1
78.95753	1.1
81.03347	0.8
83.04865	1.1
85.02836	4.9
87.00745	3.4
89.02316	1.4
93.03329	18.3
97.85604	0.9
107.04928	0.8
111.04379	4.1
112.06145	0.7
114.89431	0.9
127.03892	1.6
133.02780	1.8
135.04404	59.8
135.66359	0.8
136.04732	1.9
137.02330	2.4
155.03377	2.6
160.28470	0.9
161.02342	11.5
173.04462	30.8
174.04741	1.4
175.02383	1.0
175.07481	0.9
179.03412	82.5
180.03712	3.0
191.05530	100.0
192.05908	4.2
197.04378	1.1
208.65453	0.8
323.07654	8.9
341.08545	13.2
342.09073	1.8
353.08652	16.6
354.09027	2.7
395.09674	1.4
515.13995	35.1
516.14117	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	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74436	0.1
55.01761	0.3
57.03314	0.2
58.00461	0.3
59.01247	6.6
60.01585	0.1
60.89222	0.0
68.09211	0.1
68.99664	0.1
69.03333	0.1
70.71616	0.1
71.01249	4.7
72.01596	0.1
72.99158	0.3
73.02813	1.1
73.03233	0.1
75.00772	0.1
78.95783	0.6
79.82004	0.0
81.03326	0.1
83.01251	0.6
83.04898	0.2
85.02823	1.3
87.00741	0.7
89.02312	3.8
89.85519	0.1
91.03864	0.3
95.01265	0.3
97.02842	0.2
97.06445	0.1
99.00767	0.3
99.04417	0.1
101.02318	4.9
102.02641	0.1
103.03903	0.2
104.91441	0.0
113.02328	2.3
113.05923	0.0
115.03873	0.2
119.03387	1.1
125.02301	0.1
127.07548	0.2
131.03404	0.1
133.04956	0.2
141.09061	0.1
143.03400	0.5
145.04961	0.1
149.04495	0.1
152.99472	0.8
157.05019	0.2
161.04454	1.8
162.04849	0.1
179.05545	0.6
205.19524	0.1
217.07185	0.1
232.50436	0.0
233.22697	0.3
235.08163	1.0
253.09253	16.2
254.09605	0.8
259.20551	0.3
275.20023	0.3
277.21701	100.0
278.22040	10.6
431.22391	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96539	13.1
58.28539	13.8
59.01236	51.2
63.79249	14.5
63.97334	15.2
69.09626	14.0
70.60244	28.0
70.60614	31.5
82.65948	15.7
87.13528	16.2
152.99489	31.1
193.58849	15.7
201.12256	16.9
229.77998	17.5
239.20139	21.9
246.71812	16.3
253.09309	20.4
254.10262	18.4
275.20203	100.0
298.73672	16.7
303.71786	16.4
382.46985	17.2
451.32803	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	512.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73572	0.3
59.01250	5.4
61.98701	100.0
69.03320	0.3
71.01244	1.8
71.58443	0.4
73.02823	1.0
74.86954	0.2
85.02832	0.6
85.06515	0.3
87.00754	0.5
89.02321	0.9
93.03345	0.6
96.95908	0.3
101.02350	1.1
111.04421	0.3
113.02357	0.9
120.01153	0.2
121.02859	0.3
123.04354	0.3
125.02341	0.3
133.02922	0.3
134.03600	0.3
135.04399	0.6
149.04520	0.4
161.02417	0.3
161.04497	0.5
163.03932	0.3
173.04482	0.7
179.03458	0.5
191.05597	1.0
200.03023	0.3
211.39433	0.2
213.14998	0.8
214.15298	0.8
215.15715	0.3
216.15770	0.3
232.77013	0.2
253.35284	0.2
254.09731	0.3
349.89029	0.3
469.32153	0.3
503.63986	0.3
512.19946	0.5
513.20172	0.5
513.27411	1.4
513.32300	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73686	0.4
59.01247	8.9
61.98705	0.5
63.96109	1.2
69.03313	0.6
71.00887	0.6
71.01251	8.4
71.28698	0.7
73.02814	3.2
73.04972	0.4
75.26782	0.4
78.95724	0.5
78.98458	4.3
79.69315	0.4
79.95601	8.0
80.96387	51.0
81.03326	1.1
83.01251	0.9
83.04908	0.6
85.02811	3.2
87.00757	2.1
87.04405	0.5
88.29251	0.4
89.02311	1.5
93.03371	0.5
94.97958	13.8
95.01264	0.5
96.95904	1.2
97.02808	1.5
99.00752	0.7
99.04343	0.5
101.02316	4.7
102.99611	0.4
106.97987	2.4
109.73419	0.4
111.60113	0.4
113.02329	1.5
122.97468	4.6
125.02330	3.4
126.84978	0.4
127.03886	1.0
131.03374	0.7
134.97461	3.2
135.04407	0.9
136.99020	1.1
137.99544	0.4
148.99043	6.2
152.98557	6.0
152.99712	0.7
161.02330	0.5
161.04474	0.7
164.98528	10.1
167.00154	0.5
173.04457	0.8
177.35838	0.4
179.03441	1.2
179.05415	0.3
182.99625	2.0
186.76086	0.4
188.98402	0.4
191.05557	1.6
191.64828	0.4
191.67331	0.4
195.13872	0.5
201.43266	0.4
206.99649	3.0
213.14857	2.6
225.00685	17.9
233.16176	0.4
243.01801	1.3
274.06476	0.4
299.04297	2.3
411.18521	0.5
424.57489	0.4
493.15726	0.4
513.20087	100.0
514.20471	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	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96165	0.0
54.02351	0.0
55.01756	0.3
56.52884	0.0
57.03323	0.2
58.00459	0.3
59.01249	7.1
59.98401	0.1
60.01583	0.1
68.51221	0.0
68.99720	0.0
69.03328	0.1
69.41555	0.4
71.01250	5.4
72.98830	0.0
72.99161	0.3
73.02818	1.1
75.00732	0.1
78.95774	0.5
81.03326	0.1
82.49016	0.0
83.01253	0.6
83.04890	0.2
85.02821	1.2
85.99982	0.1
87.00754	0.7
89.02316	4.0
91.03374	0.0
91.03860	0.2
95.01260	0.4
96.00603	0.0
96.56061	0.0
96.96837	0.1
97.02829	0.2
97.06497	0.1
99.00755	0.3
99.04408	0.2
101.02319	4.8
102.02686	0.1
103.03886	0.1
111.04413	0.1
113.02329	2.3
113.05986	0.1
114.02618	0.1
115.03895	0.1
119.03379	1.0
125.02316	0.2
127.07573	0.2
131.03407	0.2
133.04973	0.4
141.09019	0.0
143.03386	0.5
145.04977	0.1
149.03253	0.0
149.04488	0.1
152.99483	1.0
157.04974	0.2
161.04460	1.9
162.04852	0.1
179.05505	0.6
180.05698	0.1
182.13094	0.1
187.06020	0.1
187.46880	0.0
205.19536	0.1
233.22768	0.3
235.08165	1.1
236.08508	0.1
253.09251	15.8
254.09631	0.8
259.20685	0.5
260.20792	0.1
275.20020	0.5
276.20535	0.1
277.21698	100.0
278.22037	10.8
431.22015	0.2
518.59540	0.0
532.62732	0.1
538.26306	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	509.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01587	8.8
60.05479	1.8
61.01669	3.0
71.01242	9.5
71.57665	3.0
72.22839	2.2
73.02832	2.6
74.02347	5.2
79.21481	2.0
85.02802	9.6
89.02305	2.7
93.03341	9.1
95.19247	2.2
96.95927	3.2
100.00301	2.1
101.02271	2.0
109.02801	4.4
111.04391	5.7
111.45815	2.3
113.02295	3.1
125.02314	5.5
135.04416	2.9
149.04506	2.9
150.01331	2.5
151.00253	2.7
151.08008	2.0
152.00995	4.5
153.01797	2.7
155.03415	4.4
157.57570	2.5
163.00903	2.8
166.84393	2.2
167.03360	3.6
171.94502	2.2
173.04477	13.2
176.01663	32.8
188.01651	4.7
189.02496	4.9
190.03261	13.5
191.00534	2.1
191.05530	68.6
192.04787	6.6
204.04816	15.7
216.01155	13.8
218.02766	5.1
220.00629	2.6
237.74927	2.3
247.05415	53.5
260.00186	10.5
273.03366	31.0
274.03586	2.5
287.04657	3.3
287.14081	3.9
291.04401	19.4
296.13831	2.4
317.02188	5.7
335.03442	23.4
471.51880	3.1
509.08594	15.0
510.08530	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	510.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.6
61.98702	100.0
70.25056	1.2
71.01265	1.3
85.02815	0.7
89.02340	0.8
93.03355	0.4
96.95901	0.5
101.02327	0.9
113.02338	0.5
120.27167	0.3
135.04387	0.6
173.04492	0.5
175.43837	0.3
179.03467	0.5
187.78546	0.3
191.05518	1.7
202.81866	0.3
275.29208	0.4
276.21158	0.3
375.20358	0.4
450.23260	0.5
510.25610	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.2
59.48471	0.3
61.98699	100.0
62.98394	0.3
69.03321	0.4
71.01249	1.8
71.13985	0.7
73.02828	0.8
74.77286	0.3
83.01290	0.3
85.02822	0.5
88.60045	0.3
89.02309	1.5
93.03326	0.6
96.88869	0.3
99.00787	0.3
99.59464	0.3
101.02332	0.9
111.04456	0.3
113.02347	0.7
120.84988	0.3
135.04434	1.2
149.04454	3.4
153.57628	0.2
155.03391	0.4
159.11708	1.1
161.04494	0.3
173.04488	1.0
179.03430	0.8
191.05598	1.7
203.10762	0.8
211.13368	0.3
219.57800	0.3
247.09740	0.5
268.35394	0.3
355.10559	0.3
378.22339	0.4
379.13971	0.6
450.23126	0.7
511.18442	0.6
511.25098	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13955	0.3
54.93742	0.3
59.01253	2.3
63.21510	0.3
71.57922	0.4
72.90003	0.3
78.95776	0.4
91.03869	0.5
101.46020	0.3
113.09664	0.6
117.03342	19.9
118.03603	0.5
119.04911	9.6
121.02879	2.1
123.04385	0.9
133.02843	0.5
133.30588	0.4
145.02850	100.0
146.03198	4.0
147.04414	0.4
163.03914	6.3
163.62560	0.4
164.04059	0.4
175.48244	0.3
269.21286	0.7
287.22272	9.7
288.22626	0.4
347.25891	5.1
348.26331	0.7
415.24887	22.9
416.25156	3.5
433.25906	16.8
434.26343	2.1
507.29584	40.2
508.29929	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	507.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07542	0.1
57.03185	0.8
57.03500	0.5
58.00361	0.3
59.01105	3.2
59.01445	1.7
61.98581	0.3
61.98888	0.4
68.74910	0.1
69.03188	0.3
69.03512	0.2
69.34709	0.1
70.53694	0.2
71.01092	1.5
71.01530	0.5
71.58263	0.2
73.02655	1.0
73.03116	0.3
79.92083	0.1
83.01138	0.2
85.02644	0.8
87.00621	0.2
87.04216	0.5
89.02115	0.5
89.02636	0.3
93.03172	0.4
97.06282	0.5
99.00576	0.2
99.07915	0.2
101.02136	1.1
109.06290	0.5
111.04231	0.3
111.07841	0.2
113.02142	0.6
113.09443	0.3
119.03259	0.2
120.94370	0.2
123.07850	1.1
125.02174	0.2
125.09401	0.5
127.07349	0.2
127.11022	0.2
131.03265	0.3
134.03442	0.2
134.05795	0.6
135.04199	0.5
135.07820	0.5
135.97911	0.1
137.09438	0.3
139.10977	0.7
141.08882	0.5
141.12532	0.5
141.13570	0.2
143.10521	0.2
149.04263	0.8
149.05464	0.2
151.11018	0.2
153.08870	0.6
155.10577	0.4
157.12233	1.7
161.02269	0.4
161.04271	0.2
169.12221	1.2
171.10011	0.4
171.13646	0.3
173.04277	0.7
173.05586	0.2
178.04752	0.5
179.03275	0.2
185.11754	2.8
185.13312	0.2
186.11813	0.3
191.03217	0.6
191.05313	0.7
199.13159	0.2
201.11108	0.2
211.13179	0.4
215.12848	1.2
237.07460	0.2
251.19939	0.4
265.58423	0.2
273.02921	0.2
285.20447	0.3
287.21982	0.2
291.19650	0.2
293.21207	0.3
300.02472	0.4
301.02924	0.3
302.03183	0.3
303.03845	0.2
309.20416	0.2
311.22171	0.6
327.21613	0.5
327.25327	0.6
329.23291	2.7
329.26785	0.3
330.23520	0.3
339.25302	0.6
345.22812	0.9
355.24902	0.2
357.26425	3.5
358.26538	0.3
373.25919	2.6
374.26239	0.3
375.27484	100.0
376.27832	9.5
376.32712	0.3
387.23746	0.2
463.26407	0.2
485.74283	0.2
507.11133	0.5
507.31970	16.1
508.32312	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	507.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.8
64.74656	0.4
71.07560	0.8
78.95772	21.4
88.65265	0.5
96.96829	1.6
134.13950	0.5
152.99484	34.4
153.99908	0.6
171.00563	1.9
186.20979	0.4
227.03235	4.2
245.04204	1.3
261.22104	0.7
278.33011	0.5
279.23267	100.0
280.23615	9.8
359.26013	0.5
415.22443	1.0
458.05011	0.4
507.27252	51.8
508.27646	8.0
517.97974	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.0
63.59701	0.2
64.40901	0.2
71.01247	0.5
71.38158	0.3
73.18626	0.2
89.02309	0.3
91.03902	0.6
97.02864	0.2
104.90445	0.2
113.09654	0.4
117.03347	18.5
118.03657	0.6
119.04913	9.4
119.15749	0.2
120.05241	0.3
121.02844	2.1
123.04386	0.5
127.11169	0.3
133.02840	0.7
145.02849	100.0
146.03186	4.9
155.10701	0.3
162.03134	0.3
163.03920	5.8
237.07581	0.3
239.20158	0.3
241.21579	0.2
269.21176	0.5
287.22269	9.2
288.22623	0.8
347.25864	5.9
348.26190	0.6
365.14468	0.4
371.25836	0.7
415.24881	22.1
416.25143	2.5
433.25931	18.6
434.26181	2.4
436.27432	0.2
507.29617	38.9
508.29910	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	507.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.1
57.03323	0.4
58.00480	1.1
59.01248	44.1
60.01579	0.7
69.03326	0.5
69.26791	5.1
70.70545	0.5
71.01248	23.2
72.99174	2.2
73.02818	3.0
77.32903	0.4
83.01252	2.0
85.02817	5.9
87.00750	1.1
89.02312	17.7
93.03288	0.6
95.01251	1.7
101.02319	14.7
113.02318	8.6
119.03401	5.7
124.01545	0.6
125.02364	0.5
131.03406	0.5
135.04396	0.8
143.32387	0.5
149.04408	1.4
150.26016	0.5
161.04469	0.5
173.04431	1.0
179.98500	0.5
183.13870	0.9
191.03722	0.4
191.05478	1.1
195.13828	11.3
196.14127	0.7
201.11209	0.5
213.14909	5.4
244.34453	0.4
335.35202	0.5
375.20203	100.0
375.27780	2.5
376.20596	8.0
465.27020	0.7
507.23853	19.7
508.23959	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	507.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63372	0.3
53.11550	0.3
57.03320	2.1
59.01249	100.0
60.01585	0.9
65.00208	0.9
69.82076	1.5
71.01256	2.2
73.02821	2.2
79.62749	0.3
81.03329	0.3
81.40420	0.3
82.47967	0.2
83.01252	2.4
85.02831	0.3
89.02325	1.1
93.03349	0.5
95.01257	0.4
96.95907	1.1
97.02853	0.4
101.02313	2.3
107.01266	2.6
109.02820	1.5
113.02353	1.0
119.04872	0.3
121.02830	0.5
123.04404	1.4
124.01587	0.6
125.02332	26.9
126.02676	0.9
131.03484	0.4
135.04420	0.7
137.02344	1.2
139.03949	1.2
143.03355	0.3
147.04451	0.3
149.02348	4.1
149.04401	0.3
151.00272	8.0
151.01497	0.4
151.03938	0.9
152.01048	0.7
153.01833	7.2
159.04445	0.4
161.04480	0.6
163.00316	0.3
165.01901	0.4
167.03477	0.4
169.01337	1.1
173.04543	0.5
174.03168	0.5
175.00314	1.1
175.03868	2.4
177.01865	4.4
178.99783	4.6
179.03391	0.6
181.01355	3.4
184.66504	0.3
188.04828	0.5
189.05486	1.2
191.03525	0.6
191.05576	1.1
195.02927	0.7
199.03879	1.3
201.01910	0.3
213.05563	0.4
217.05066	1.3
241.05104	1.0
259.06079	0.8
272.64081	0.3
275.05597	5.6
276.06140	0.4
284.03357	0.3
285.04031	12.7
286.04428	1.3
299.05515	2.3
303.05078	15.3
304.05533	1.2
309.04187	0.3
312.86520	0.3
327.04794	0.3
355.06750	0.5
383.06268	2.0
385.07794	1.9
387.20230	0.4
447.22333	1.4
463.96268	0.3
479.12082	0.9
489.10803	1.2
507.24686	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66918	0.2
53.98338	0.2
55.40762	0.2
59.01249	0.9
60.99166	0.2
62.82916	0.2
64.87183	0.2
71.58109	0.2
75.69288	0.2
77.03849	0.2
78.95782	0.7
80.77746	0.1
121.02839	100.0
122.03169	3.3
147.04468	0.2
152.99464	0.9
174.99101	0.2
180.05699	0.6
180.58928	0.2
181.06503	3.6
182.06831	0.2
197.06003	2.7
207.04404	1.1
207.08052	0.5
223.03961	0.4
225.05518	2.5
245.04343	0.3
251.07365	0.3
255.02983	0.4
257.09756	0.6
271.02560	0.5
277.21701	6.1
278.21902	0.4
285.09253	0.5
295.06049	0.3
300.02756	1.1
301.03503	0.5
301.08759	0.3
313.07132	5.1
314.07568	0.4
329.08301	0.2
357.05972	0.9
373.10583	0.5
383.07642	1.2
417.09766	10.6
418.10123	1.4
433.09164	0.3
461.12427	0.3
505.11301	7.9
505.25681	1.6
505.32248	0.3
506.12015	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99180	2.8
70.58646	1.5
88.98673	14.3
93.03340	0.9
108.02069	1.2
109.02842	7.0
117.07086	0.4
121.02837	13.3
122.02795	0.6
122.03623	6.0
123.04377	1.8
124.01528	0.9
135.04434	1.3
136.05228	2.9
137.02328	1.9
146.03625	0.9
147.04414	6.9
148.05115	0.7
149.05962	0.6
150.03162	1.1
151.03859	1.3
159.04492	0.7
160.05222	2.6
161.02411	0.6
161.05986	10.7
162.06764	6.6
163.07233	0.5
164.04764	0.8
165.05457	6.9
166.05838	0.5
173.06006	2.6
174.06772	1.6
175.03841	1.1
175.07536	3.7
176.04755	1.0
176.08327	2.4
177.05496	0.6
178.06230	0.5
179.07111	2.1
189.09099	0.8
190.06245	0.5
191.07025	1.1
196.14502	0.4
207.06693	0.5
270.68054	0.5
282.08710	0.5
283.09750	1.1
286.57675	0.4
297.11295	1.8
298.12112	7.1
300.02594	0.5
311.12894	7.2
312.13184	1.0
313.10779	1.0
313.14435	18.7
314.14664	2.1
315.12222	0.6
316.13348	0.9
327.12311	3.6
328.13013	1.1
331.15408	1.1
343.15494	6.8
344.15680	0.8
346.14142	2.6
361.16541	100.0
362.16873	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	503.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01588	1.6
61.01685	0.6
61.78838	0.4
63.85826	0.4
64.79542	0.4
66.36411	0.4
71.01247	2.4
71.28581	0.9
73.02829	1.0
74.02335	1.2
83.01287	0.4
85.02833	1.5
89.02344	0.9
93.03345	0.5
101.02350	1.6
102.81677	0.4
113.02326	1.0
133.02943	0.5
135.04440	0.8
148.97606	0.4
152.23010	0.4
161.04504	0.6
173.04472	0.9
174.32768	0.4
341.02963	0.6
383.24741	0.7
401.25540	1.8
443.26340	0.8
503.08286	1.1
503.32257	1.6
504.28314	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	504.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	18.7
71.01218	10.6
71.57644	13.7
72.00774	12.8
82.18127	9.2
99.00770	12.8
103.91901	10.6
144.02924	87.5
161.02391	22.3
162.03960	100.0
191.05560	30.7
328.13242	10.3
351.74625	9.7
477.47858	10.3
504.16321	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	504.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51392	0.1
59.01245	0.6
62.96273	0.1
64.30476	0.1
71.58480	0.1
76.74810	0.1
78.95771	21.6
83.04891	0.1
83.65508	0.1
96.96836	0.3
104.97336	0.1
122.98396	0.2
134.98424	0.1
152.99472	3.2
168.04222	3.4
168.05661	0.2
169.04591	0.1
171.00539	0.1
180.64444	0.1
194.05774	0.2
224.06870	9.8
225.07184	0.3
235.45253	0.1
242.07930	2.5
243.08128	0.1
245.04158	0.1
261.22150	0.5
277.21783	0.9
279.23264	100.0
280.23605	9.8
300.02765	0.2
415.22382	0.2
504.30930	23.1
505.10428	0.1
505.25525	0.4
505.31467	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	505.0984
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01246	0.7
65.00184	0.6
80.52486	0.5
83.01266	0.6
88.83343	0.6
95.03583	0.5
105.70366	0.6
107.01266	2.1
108.02056	1.4
109.02824	1.2
114.85969	0.5
121.02830	1.1
135.00749	1.0
148.01530	1.5
151.00253	7.7
163.00250	2.0
178.99774	3.7
187.03871	0.9
199.03880	1.3
202.02821	0.6
215.03423	0.9
226.02689	1.3
227.03430	3.4
229.04913	0.6
243.02922	10.8
244.03357	1.2
245.04591	1.0
254.02194	2.3
255.02948	28.4
256.03256	1.9
271.02460	62.2
272.02921	6.1
283.02301	0.7
299.01920	1.6
300.02728	100.0
301.03430	31.3
301.80188	0.6
302.03787	1.2
393.50360	0.6
463.08768	4.8
505.09879	58.2
506.10156	5.8
523.49323	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.6
65.00188	0.5
69.29661	0.9
69.30090	1.1
83.01250	0.6
86.82683	0.2
90.03661	0.2
101.17002	0.2
107.01263	1.5
108.02048	1.0
109.02829	0.7
121.02817	1.2
121.03569	0.2
135.00758	0.6
148.01585	1.2
151.00262	7.5
152.00722	0.3
159.04453	0.3
161.02362	0.2
161.25264	0.2
163.00276	1.4
164.00995	0.6
169.01352	0.4
171.04343	0.2
178.99792	4.8
183.04443	0.3
186.77074	0.2
187.03954	0.2
190.99698	0.3
192.00487	0.3
199.03882	0.9
201.05418	0.3
203.03462	0.5
204.27139	0.2
211.03899	0.8
215.03429	0.9
216.04320	0.4
226.02654	1.1
227.03452	1.9
228.03964	0.4
229.04994	0.3
239.03438	0.3
243.02943	8.5
244.03313	0.9
245.04501	0.9
254.02177	1.8
255.02950	21.7
256.03265	1.4
271.02454	45.7
272.02933	5.0
273.03955	0.8
283.02490	1.2
299.01944	1.9
300.02719	100.0
301.03403	34.6
302.03821	2.3
343.04388	0.2
429.86765	0.2
445.07565	0.4
463.08774	4.7
464.09134	0.6
505.09845	38.4
506.10156	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	503.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00943	3.3
59.01251	18.7
60.37904	3.3
70.02824	3.7
70.55894	5.7
71.01230	13.2
72.00780	18.5
72.99183	7.4
73.02814	7.2
80.04916	4.8
80.67146	3.5
82.02862	8.7
89.02303	12.2
96.04422	4.5
96.61160	3.7
96.95872	4.3
98.02364	7.0
99.00737	6.1
100.03906	8.1
101.02329	6.2
108.04458	3.8
113.02312	4.9
119.03410	3.3
129.70874	4.9
131.03424	3.6
143.04530	5.9
144.02914	66.0
150.05493	6.5
179.05598	8.4
191.05537	12.4
195.07668	13.5
213.08739	6.2
221.06561	5.7
225.08723	53.1
241.08214	9.4
243.09837	100.0
259.09299	48.3
309.64911	4.7
437.73071	3.9
503.15518	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	503.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	4.8
59.01250	100.0
70.99023	5.2
71.01247	17.4
73.02818	6.7
83.01263	4.2
85.02830	8.9
87.00752	2.2
88.53104	2.0
89.02301	7.2
90.56815	2.6
93.03347	4.0
101.02319	11.4
113.02341	11.1
125.39452	2.9
133.02814	2.4
134.03690	2.8
170.74947	2.6
173.04443	4.7
191.03325	2.6
191.05531	3.3
197.06009	2.5
208.03317	2.5
227.04543	2.3
299.02167	3.1
341.02988	3.6
349.18842	2.5
399.23700	12.4
503.24466	10.8
503.31580	5.1
525.36676	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	503.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.7
56.87246	0.6
57.03337	0.8
59.01249	53.6
60.01579	3.0
61.01682	1.1
67.72956	0.5
71.01247	8.8
71.21741	1.4
73.02817	2.2
80.34895	0.5
83.01267	1.3
83.04860	0.6
85.02819	2.9
87.00742	1.5
89.02328	2.7
93.03310	3.1
95.01266	0.7
96.95895	1.2
99.00742	0.7
101.02335	4.2
108.02073	0.6
113.02335	3.9
119.03358	1.3
119.04933	0.9
121.02850	1.2
122.03642	4.0
125.02316	1.1
127.29585	0.6
133.02861	1.6
135.04468	0.8
136.01553	2.5
143.03387	0.7
149.02328	3.2
150.03131	12.4
159.02914	0.8
161.04431	1.4
164.01060	1.7
173.04483	3.4
178.02623	22.6
179.03323	1.4
180.71065	0.6
182.02164	0.8
185.11685	0.9
186.84529	0.6
191.05510	2.2
191.14319	1.2
193.04984	100.0
194.05322	4.5
205.05042	0.8
210.01656	13.5
270.01648	0.8
271.02533	1.2
275.09238	1.4
286.48544	0.7
299.01926	2.5
299.09229	32.7
299.12640	1.6
300.09570	2.8
337.09174	1.3
341.02805	1.0
353.23428	1.0
355.10141	0.7
371.24243	3.2
397.11353	0.9
397.22287	0.8
401.21671	1.0
449.14706	0.9
503.08228	2.0
503.25116	1.9
503.33179	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	503.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94738	4.2
52.55428	4.7
52.81760	4.8
53.98648	5.1
54.33218	5.0
59.01239	27.7
66.05560	4.5
69.82407	27.5
69.82808	10.4
70.92602	4.4
71.01238	19.3
72.00767	20.7
73.02816	6.7
78.95770	5.1
82.02805	5.5
85.02823	13.7
89.02315	20.8
93.03314	8.2
94.02885	5.4
96.96830	14.3
97.55898	4.8
98.02345	14.1
99.00722	5.4
101.02309	13.1
108.03702	5.7
111.57519	5.5
113.02347	9.9
119.03392	5.4
124.03886	5.3
128.03391	6.9
131.03294	4.8
133.02856	24.4
135.04410	22.3
144.02922	74.8
150.05473	6.5
161.02362	100.0
161.04410	10.2
162.02678	6.6
162.03961	9.3
165.13268	5.0
167.08134	8.1
173.04475	15.3
177.05501	11.3
179.03430	35.3
179.05501	4.6
180.03864	5.7
191.05530	79.2
195.07652	15.3
213.08701	7.0
225.08751	50.1
241.08180	11.1
243.09787	73.8
259.09369	40.0
311.52908	5.3
341.08749	16.9
503.14059	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01247	1.0
54.56161	1.0
55.42050	0.9
57.03314	2.8
59.01247	63.8
60.01589	1.3
60.63268	0.9
69.03314	1.3
69.63497	2.0
69.63894	6.9
71.01256	18.6
71.04873	1.0
73.02816	8.3
81.03275	1.1
83.01279	2.4
83.04901	1.6
85.02834	6.5
87.00742	2.0
87.04387	1.2
88.80246	1.0
89.02309	10.9
90.19239	0.9
93.03312	2.2
95.01266	1.5
96.95887	1.8
99.00764	1.1
99.04379	1.8
101.02322	9.0
109.02837	1.8
109.06445	2.4
109.35110	0.9
111.04385	1.4
113.02299	7.0
119.03371	3.1
119.04891	1.7
121.02827	3.9
122.03580	1.0
123.04384	2.5
127.07578	2.6
129.05370	1.1
131.03348	2.9
133.02864	2.1
134.03670	1.0
135.04427	4.9
136.04735	1.4
143.03362	1.6
143.10649	1.1
145.02829	2.6
147.04349	1.5
148.05223	2.2
149.04453	10.3
149.74901	1.0
151.00230	2.0
155.03351	1.4
160.05215	1.0
161.02380	2.5
161.04478	2.9
173.02348	1.0
173.04485	6.7
173.05760	1.2
174.03096	1.9
178.70796	1.3
179.03409	3.1
179.05373	1.1
185.93474	1.1
191.03413	3.6
191.05510	17.4
191.07030	2.7
192.04193	1.9
192.05904	4.8
193.04927	1.7
195.08064	1.1
201.78326	1.0
207.08080	3.0
209.05975	1.6
211.07611	2.4
221.06110	2.9
222.06799	1.3
223.07584	3.6
223.13335	1.3
224.04869	1.3
234.06966	1.2
235.07599	3.3
237.05492	1.6
239.07092	7.4
241.01192	1.2
243.12311	1.3
249.05539	5.1
250.06300	2.8
251.07088	16.5
252.07587	1.6
255.02846	1.3
261.05237	1.1
262.06357	3.0
263.07108	9.0
264.07761	4.3
265.08621	1.3
266.05829	1.9
266.09250	0.9
267.06598	34.3
268.06958	2.2
270.01709	1.3
271.02319	1.1
277.04950	1.7
278.05872	2.2
278.09412	1.6
279.06610	24.9
280.06946	2.8
282.08997	18.1
284.03323	2.0
293.08109	1.7
294.05289	11.3
294.08954	9.7
294.68185	1.2
295.06110	10.5
297.11310	3.3
299.01920	3.0
299.05319	1.8
307.06027	3.5
308.06812	2.1
309.07745	10.9
310.08472	5.0
311.05515	2.4
311.15228	1.5
321.07739	1.6
322.08377	8.3
323.05573	25.6
323.09024	2.9
324.05862	2.9
326.07889	13.4
327.12317	2.2
336.72943	1.1
337.07034	2.9
338.07953	25.7
339.08405	1.9
341.03101	2.9
341.10287	68.7
342.10529	5.2
353.10309	100.0
354.10690	10.3
371.11353	18.8
371.24283	4.5
372.11685	2.3
449.13837	1.1
459.22437	1.4
459.33112	2.9
503.08316	4.8
503.25128	6.4
503.32471	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	502.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76608	0.1
59.01250	1.2
69.31768	0.6
71.01263	0.3
78.95774	26.2
83.04872	0.2
94.56220	0.1
96.96841	0.5
122.98401	0.2
127.07537	0.4
151.18263	0.1
152.02608	0.1
152.99484	3.4
168.04213	3.4
171.00574	0.5
194.05783	0.2
205.19701	0.1
224.06877	10.6
225.07228	0.5
231.21136	0.5
233.15237	0.1
233.22662	0.5
242.07953	2.4
245.04341	1.0
259.20660	0.4
275.20108	1.0
277.21701	100.0
278.22034	8.4
302.77753	0.1
442.92667	0.2
502.29373	24.0
503.23486	0.2
503.29755	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	502.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.1
59.98367	0.1
64.94902	0.0
68.87992	0.1
70.60632	0.1
70.60970	0.1
71.01244	0.3
75.13351	0.0
78.95775	6.9
83.04878	0.2
89.66826	0.0
96.96841	0.1
97.06488	0.0
113.05989	0.1
125.11991	0.1
127.07544	0.2
141.09105	0.1
152.99489	0.8
162.89049	0.0
168.04224	1.9
168.05666	0.1
169.04559	0.1
171.00542	0.1
205.19514	0.1
224.06873	1.1
231.21304	0.1
233.22719	0.4
242.07950	3.2
243.08324	0.1
245.04213	0.2
259.20557	0.5
275.20041	0.4
276.20471	0.1
277.21701	100.0
278.22040	9.5
310.20383	0.1
502.29391	7.1
503.29642	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48133	0.7
51.99220	0.8
52.68161	0.7
53.73457	0.7
59.01244	5.1
59.93044	0.7
69.89529	3.7
71.01252	5.6
73.02832	0.8
88.69401	0.7
89.02309	4.2
90.85862	0.7
92.51375	0.8
98.20466	1.1
101.02319	2.9
107.45453	0.7
113.02342	1.2
117.03372	1.0
119.03400	1.4
131.03418	0.7
132.02051	1.3
133.02847	32.2
134.03424	0.7
135.04414	17.0
149.06036	1.0
154.97916	0.6
161.02350	100.0
162.02710	4.7
177.05557	0.9
179.01833	1.8
179.03410	28.8
179.05521	2.1
180.03833	1.1
203.03462	3.1
221.04570	1.2
221.06552	0.9
316.02591	0.7
341.08734	3.5
383.09863	0.9
423.49799	0.7
443.12039	0.8
452.24030	0.8
503.14114	13.0
504.14426	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98552	0.2
59.01249	100.0
60.01585	0.9
69.35693	2.4
71.01249	1.9
73.02815	0.9
76.21371	0.3
83.01263	0.3
85.02833	1.0
89.02333	0.9
98.20522	0.4
101.02322	1.1
110.55444	0.3
113.02332	0.8
119.03373	0.4
120.08146	0.3
121.02890	0.5
126.05441	0.2
129.76915	0.2
134.06038	0.3
161.04466	0.3
164.07082	0.5
173.04587	0.5
180.73347	0.3
191.05460	0.3
201.07570	0.3
369.22931	0.9
399.24014	0.4
501.30557	0.4
522.50269	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01585	0.8
66.49915	0.2
70.92367	0.7
71.01254	0.7
80.28757	0.2
89.02325	0.4
94.65847	0.2
101.02323	0.7
109.91694	0.2
113.02364	0.6
143.58362	0.3
161.04439	0.3
204.09685	0.2
235.59782	0.2
302.11905	0.3
399.24020	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	501.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01596	1.2
69.69030	2.2
71.01270	1.1
79.72085	0.3
85.02838	0.6
87.67536	0.3
89.02317	0.6
101.02341	0.9
106.94000	0.4
107.79999	0.4
113.02338	0.5
115.91995	0.5
116.92742	2.3
117.92740	0.4
161.04503	0.9
212.32999	0.3
264.65335	0.3
358.28625	0.4
381.23175	0.4
399.23965	1.1
410.17691	0.3
434.96271	0.4
441.24658	0.5
446.43817	0.3
501.30661	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35160	0.3
56.03791	0.2
59.01249	100.0
59.70912	0.3
60.01585	0.9
64.30717	0.2
66.95831	0.2
69.99407	1.5
71.01266	1.4
73.02820	0.7
75.00761	0.3
83.01251	0.4
85.02851	0.6
89.02328	1.0
93.03345	0.3
98.19813	0.2
99.04364	0.4
101.02350	0.9
113.02350	0.6
119.04884	1.7
135.04462	0.3
160.01561	0.4
163.03882	1.6
173.04477	0.6
175.03889	0.4
191.05585	0.6
193.04973	0.3
369.23062	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46119	1.7
55.94566	1.9
57.03315	3.1
59.01250	100.0
61.57798	1.8
69.03316	7.3
69.63699	11.5
69.75516	1.6
71.01251	21.8
71.04887	3.2
73.02808	7.1
80.64610	1.6
83.01254	3.5
83.04866	3.6
85.02826	10.5
87.00734	4.6
87.04400	2.1
87.75256	1.6
88.23724	1.8
89.02309	12.4
93.03319	5.6
95.01275	2.6
96.95887	2.3
97.06484	1.8
99.00744	2.7
99.04383	3.7
101.02319	18.7
105.03220	1.7
109.02811	2.1
113.02337	17.9
119.03357	5.3
123.12978	1.8
135.04379	2.3
137.02364	3.0
149.04465	1.8
161.02313	3.9
161.04437	3.4
173.04510	8.2
179.03285	1.7
191.05528	13.8
212.88152	1.8
327.05658	2.6
369.22787	20.1
370.22781	2.0
441.25372	2.7
459.26108	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80452	0.4
52.54428	0.5
59.01251	100.0
60.01586	1.3
61.01682	0.5
69.47569	3.7
71.01250	4.5
71.01569	0.5
73.02818	1.1
73.52009	0.5
83.01297	0.5
85.02848	1.1
89.02313	3.4
98.19732	0.4
98.37496	0.5
99.00750	0.5
101.02332	2.7
107.39008	0.5
113.02334	1.9
119.03440	1.5
145.02873	1.1
161.04498	1.2
195.24326	0.4
227.79259	0.4
255.02872	0.4
266.67755	0.5
313.09958	0.5
332.85782	0.6
397.22537	0.9
415.23483	0.7
465.09570	0.8
501.30579	1.6
523.28851	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88364	0.4
57.43847	0.4
59.01249	100.0
60.01583	1.6
64.88519	0.4
69.47879	0.9
69.48290	2.7
71.01247	3.3
73.02808	0.8
85.02834	1.3
89.02320	2.3
101.02296	1.9
113.02360	2.2
119.03425	0.7
143.03427	0.4
148.90996	0.6
160.53297	0.4
163.90012	0.5
208.89119	0.4
385.62119	0.4
395.46393	0.5
397.22412	1.3
399.23587	0.5
415.23346	0.8
428.17114	0.5
447.83163	0.4
465.41614	0.4
465.77774	0.4
501.31192	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01582	0.9
64.33693	0.4
71.58730	0.6
77.46265	0.4
91.03899	0.7
127.07516	0.6
160.64674	0.3
199.13382	0.7
347.25858	0.6
348.14789	0.5
365.26981	7.9
366.27158	0.8
369.08957	0.4
448.60309	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3273
Annotation	Daechuine S4
Peak:m/z	Relative Intensity
57.03316	0.8
59.01248	9.3
61.98705	0.7
66.16294	0.5
69.51591	3.8
71.01247	1.5
83.04906	0.9
91.03882	0.6
96.17222	0.5
97.06455	0.7
99.00743	0.6
116.97144	0.5
148.37544	0.5
167.14290	1.2
171.85947	0.5
177.12784	1.4
183.13818	14.5
184.14243	0.6
193.12273	1.5
195.13832	43.3
196.14171	2.9
211.13326	57.1
212.13675	3.2
213.14886	17.1
214.15240	1.3
223.13383	1.2
271.22723	1.7
298.35553	0.5
315.26941	5.4
316.27338	1.0
327.27072	0.9
333.28049	0.7
341.24783	1.1
359.25906	4.7
361.27264	0.7
361.75842	0.5
371.25839	0.9
375.58450	0.5
377.26947	8.0
378.27087	0.9
379.17987	1.0
389.26953	2.0
395.27963	2.3
407.28000	13.1
408.28278	2.2
425.29053	51.8
426.29413	6.2
499.32751	100.0
500.33133	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	499.3277
Annotation	Adouetine X
Peak:m/z	Relative Intensity
56.53127	0.8
59.01250	22.3
68.77126	0.9
70.07281	2.1
70.07674	2.3
71.01261	8.0
72.38405	0.9
72.99178	0.9
73.02827	6.6
83.01279	2.3
85.02814	1.3
86.71281	1.0
89.02321	2.3
101.02321	4.0
103.49469	0.9
106.89769	1.1
107.63454	0.8
113.02306	2.4
161.04486	1.0
177.12750	1.1
183.13805	16.7
193.12227	1.7
195.13838	46.7
196.14140	2.6
211.13333	62.2
212.13617	4.5
213.14885	20.0
223.13278	2.1
277.21631	2.9
279.23166	3.1
295.22772	18.0
296.23016	1.7
315.26852	4.7
341.25079	1.1
359.26083	4.7
360.26453	1.1
377.27063	9.7
389.26935	1.7
395.27997	2.3
407.27951	14.1
408.28482	1.2
425.29080	53.8
426.29431	7.4
439.26859	2.8
457.28018	8.3
458.27908	1.0
499.33368	100.0
500.33871	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	501.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.9
58.00447	0.7
59.01249	100.0
64.51303	0.6
69.03308	0.7
70.91663	0.7
70.92023	1.7
71.01253	6.9
73.02825	3.5
75.00766	1.1
76.97195	0.6
78.95821	0.6
83.01283	0.7
85.02827	3.1
88.98196	0.7
89.02322	4.3
93.03344	1.6
94.80522	0.6
95.01284	0.8
99.04416	1.9
101.02319	3.9
106.34843	0.6
109.02839	0.9
113.02345	3.4
119.03412	1.3
119.04925	1.1
123.04459	0.9
133.02863	0.9
134.03644	1.5
135.04445	2.2
137.02336	0.9
145.02881	1.0
149.02400	0.6
149.04424	1.0
159.04408	0.8
161.04549	1.0
170.36739	0.7
173.04507	6.4
179.03450	1.4
191.05544	3.4
193.05016	1.4
203.03583	1.0
312.44034	0.9
353.09320	0.9
369.18585	0.6
369.22672	3.8
381.61804	0.7
501.27191	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01563	0.9
71.01258	5.0
71.58839	1.0
71.86790	0.9
85.02811	1.6
85.38628	0.8
89.02317	2.4
95.01260	1.0
99.41217	0.9
100.48358	0.8
101.02312	2.9
113.02337	6.4
143.03299	1.0
152.99542	1.0
161.04465	1.4
213.89862	0.8
277.21710	76.9
278.22073	8.4
291.23288	2.8
319.22614	2.1
403.54263	1.0
415.45044	1.0
416.52856	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34593	0.8
55.86058	0.7
59.01248	80.5
60.01596	1.1
60.44443	0.6
61.03038	0.7
63.96579	0.7
70.71033	1.1
70.71371	1.5
78.95774	12.8
84.81329	0.7
90.36156	0.6
91.94912	0.7
93.49202	0.6
96.96835	0.9
102.08698	0.7
119.73910	0.6
122.02396	0.6
128.03368	0.9
152.99486	18.4
153.00726	1.0
153.35367	0.7
171.00557	2.4
216.08382	0.8
227.03186	3.0
241.88779	0.8
245.04250	7.1
253.40274	0.6
271.22766	100.0
272.23099	9.0
305.21161	0.9
335.45779	0.7
379.14194	0.8
385.91000	0.7
469.12149	0.7
499.26718	35.2
500.27161	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40991	0.5
59.01250	100.0
60.01587	1.2
62.16128	0.5
63.96085	0.5
78.95773	28.0
79.06403	0.6
83.22734	0.5
96.96824	2.1
127.75629	0.5
128.03360	0.7
141.71820	0.5
143.04503	1.5
152.99489	51.9
171.00565	3.1
201.59366	0.6
209.11716	1.1
227.03188	8.6
227.10632	0.6
245.04306	5.0
253.21530	0.8
255.75478	0.7
271.22772	90.1
272.23093	6.2
306.07629	1.0
353.18298	0.5
407.22018	0.6
408.31686	0.7
413.22327	0.7
417.32697	0.6
455.16928	1.0
499.26770	73.3
500.27179	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	499.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01582	0.8
69.62597	2.8
69.63030	2.2
71.01255	5.7
73.02826	2.1
78.95776	14.6
79.95613	2.3
80.12540	0.6
83.01252	1.6
85.02842	2.0
89.02345	2.0
93.03352	0.8
96.95906	83.5
96.96861	26.2
97.06487	0.7
97.93033	1.0
98.60052	0.7
99.00796	1.4
101.02319	3.5
113.02358	2.1
113.92554	1.9
114.93302	6.7
116.92773	1.6
149.99289	0.7
152.26881	0.7
161.04503	1.7
165.05562	0.9
170.99704	2.1
191.87537	0.7
239.07143	0.8
256.97791	0.8
315.18152	1.7
325.72519	0.8
333.11240	1.7
357.19275	1.5
413.14728	3.6
499.29498	1.7
509.71704	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75542	0.3
59.01249	100.0
60.01588	1.2
69.35636	3.0
71.01250	3.4
73.02829	0.5
85.02814	0.8
87.00803	0.4
89.02307	2.1
91.18343	0.4
93.03312	0.4
98.20525	0.6
101.02293	1.5
113.02312	1.6
119.03409	0.9
135.96227	0.3
143.03325	0.3
161.04520	1.0
173.04492	0.8
179.03343	0.3
191.05595	0.8
235.17076	0.4
367.21301	0.5
367.41379	0.3
397.22031	0.7
439.23434	0.8
499.29587	0.3
510.74976	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61644	0.2
59.01250	100.0
60.01594	0.8
60.37163	0.2
70.96750	0.3
70.97099	0.4
71.01235	0.9
73.02829	0.5
83.01277	0.3
85.02831	0.6
89.02332	0.5
101.02346	0.8
113.02338	0.5
119.03413	0.3
143.03471	0.2
161.04526	0.6
191.05557	0.3
196.48119	0.2
257.28189	0.2
340.36774	0.2
397.22141	0.8
439.23505	0.5
499.29736	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68235	0.2
59.01250	100.0
60.01580	1.0
71.01256	2.2
71.38323	0.5
72.99181	0.3
73.02819	0.4
80.39899	0.2
83.01260	0.3
85.02834	0.6
89.02314	1.6
89.50398	0.2
93.03392	0.2
95.01262	0.3
101.02319	1.2
112.84469	0.3
113.02348	0.8
119.03376	0.4
161.04443	0.6
173.04556	0.3
176.18585	0.3
179.05438	0.2
191.05545	0.8
301.60107	0.2
379.21765	0.3
397.22443	0.8
439.23746	0.6
498.16504	0.2
499.29156	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.3
59.01249	100.0
60.01591	1.0
60.53518	0.2
69.03336	0.4
69.53577	1.8
70.37611	0.2
71.01258	1.7
73.02824	0.6
75.00742	0.5
83.01279	0.4
85.02834	0.8
89.02337	0.8
93.03333	0.4
98.19807	0.5
99.04419	0.3
101.02328	0.9
108.31309	0.2
113.02359	0.9
119.03425	0.2
119.04918	0.4
121.02808	0.3
123.04462	0.3
126.26959	0.2
135.04439	0.2
148.97235	0.2
149.02457	0.4
152.07108	0.3
157.77032	0.2
161.04454	0.2
163.03970	0.8
165.05522	0.4
173.04480	1.0
179.03398	0.3
180.06586	0.4
191.05508	1.5
239.65565	0.3
264.21405	0.2
367.21280	1.3
379.15482	0.2
409.15485	0.3
439.17227	0.4
466.84723	0.2
499.25659	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99250	0.7
57.03334	1.1
57.30086	0.7
59.01240	0.8
65.90659	0.8
66.05981	0.8
67.01440	0.7
67.01754	3.3
71.01247	2.4
71.19093	1.4
71.42647	0.6
81.03302	1.1
83.04892	0.7
85.02821	0.8
89.91976	0.8
93.03329	23.5
94.03721	0.9
110.32059	0.9
111.04404	3.9
114.56529	0.7
119.04909	23.9
120.05294	0.8
131.73012	0.7
137.02350	3.0
137.19659	0.7
146.15572	0.7
149.05948	1.6
152.46004	0.8
155.03410	4.6
163.03905	22.4
164.04263	1.3
173.04463	100.0
174.04836	4.2
191.05586	0.8
196.32765	0.7
196.62891	0.8
219.02866	1.0
237.03937	1.9
295.74207	0.7
325.09305	2.9
337.05728	0.8
341.26965	0.7
402.39569	0.7
419.49295	0.8
499.14526	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	499.1455
Annotation	kn-93
Peak:m/z	Relative Intensity
50.08807	0.7
53.27835	0.7
54.49141	0.7
55.12054	0.7
57.03312	1.7
59.01246	1.9
60.35725	0.7
60.99168	4.1
67.01758	11.2
69.03323	3.6
71.01247	4.1
71.07057	2.0
76.51973	0.8
81.03311	2.2
81.26460	0.8
83.04895	1.8
84.57967	0.8
85.02818	4.7
87.00747	15.8
88.50318	0.8
93.03333	81.1
94.03681	2.0
96.95865	4.0
99.00757	1.5
99.04415	1.1
109.02837	1.3
111.04397	12.6
113.02323	1.6
115.03864	0.8
119.04918	34.3
122.91035	1.0
127.03918	1.7
129.01808	1.6
135.04355	1.1
138.34039	0.7
145.02841	1.6
148.72066	0.7
154.34798	0.8
155.03392	3.2
163.03920	24.5
164.04265	1.7
173.04459	22.9
191.05534	91.6
192.05893	3.9
273.47562	0.8
298.73572	1.1
337.09265	12.7
379.10291	2.0
418.29446	1.0
499.14548	100.0
500.14932	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	499.1456
Annotation	Haploperoside C
Peak:m/z	Relative Intensity
53.01119	0.1
55.93538	0.1
57.03336	0.1
59.01252	0.8
63.02254	0.8
65.00179	0.6
71.01251	0.4
71.58210	0.1
71.58595	0.1
72.99191	0.1
73.02808	0.2
79.05399	0.1
81.03329	0.8
83.01266	0.4
83.04881	0.1
85.02813	0.3
87.00729	0.1
89.02325	0.3
91.05398	0.1
93.03341	0.6
96.95856	0.1
98.25906	0.1
101.02343	0.3
103.03893	0.1
103.05421	0.2
105.03342	0.7
107.01260	0.8
109.02852	0.1
111.04376	0.1
113.02309	0.1
115.49081	0.1
119.03410	0.1
119.04926	0.6
121.02840	0.2
121.54592	0.1
123.04426	0.7
125.02310	0.1
132.02045	0.1
135.04416	0.2
143.03378	0.1
145.02872	0.4
146.03683	0.1
147.03270	0.1
147.04416	2.1
148.04782	0.2
149.02325	1.6
150.02744	0.1
151.00237	0.1
152.11444	0.1
159.04471	0.1
161.02396	0.1
163.03902	0.2
163.06049	0.2
167.32420	0.1
171.46356	0.1
173.04478	0.6
175.03903	0.2
176.01048	0.1
182.02180	0.1
187.07603	0.2
190.02625	0.4
191.03423	100.0
192.03760	5.3
205.05162	0.1
205.06982	0.1
213.05630	0.1
231.10271	0.1
233.04489	0.9
249.11403	0.1
257.04382	0.1
275.09155	0.1
307.08972	0.1
325.07108	0.4
335.07529	0.2
379.10358	0.4
499.14423	1.3
500.15045	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.8
59.01251	18.0
66.03358	2.5
67.01744	2.2
68.04884	1.9
69.35644	7.3
69.36077	7.4
71.01245	13.7
72.00755	2.7
72.99176	6.5
73.02811	3.4
75.00739	47.7
78.95753	1.6
82.02853	6.1
83.01244	2.1
85.02800	5.5
87.00751	5.9
89.02312	9.2
93.03340	21.1
94.02853	4.3
96.04380	2.6
96.95873	4.0
97.02782	2.2
97.06458	4.4
98.05967	2.1
99.00745	4.5
99.32698	1.6
100.03871	2.2
101.02313	6.5
107.03642	3.6
108.04430	8.7
109.02815	2.5
111.04364	3.1
112.03918	1.5
113.02316	2.7
122.05951	2.1
123.04383	1.9
124.03929	4.0
134.05997	4.5
135.02881	20.0
135.04430	2.5
136.07503	1.9
140.07063	8.2
146.03676	1.6
146.06009	2.3
148.07544	3.6
149.04449	6.1
150.05495	19.7
151.02634	1.8
151.03951	2.1
152.07072	14.6
159.04382	2.9
159.84570	1.7
162.09126	4.8
164.07060	4.7
173.04477	37.2
173.05934	1.2
174.04842	1.7
177.18434	1.8
178.08682	2.4
180.06528	15.9
180.10201	4.0
182.08092	3.9
187.07561	2.7
188.68692	1.7
191.05536	51.2
192.06572	3.9
203.06842	1.7
206.08099	2.6
208.09695	2.2
209.09349	3.0
215.07025	3.8
229.08714	2.9
230.17912	1.8
234.07642	1.6
236.09068	2.1
241.04974	2.1
247.09752	3.9
252.08696	6.9
261.11285	2.2
279.12067	1.7
289.89841	1.7
291.08582	2.6
315.13504	2.2
316.85373	1.6
317.15005	2.8
323.11075	1.9
323.16068	2.7
333.14529	100.0
334.14844	8.5
335.16162	2.5
345.14426	2.7
361.13892	8.0
362.14304	1.7
375.15756	2.5
377.13541	47.7
378.13712	4.1
379.15118	19.5
380.15094	1.8
382.03479	2.2
419.14127	2.6
433.11417	1.9
437.15698	19.4
438.15814	2.5
465.14008	2.7
497.16306	3.9
497.25403	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31612	0.7
59.01250	1.6
62.55631	0.8
68.48689	0.9
70.58109	2.7
71.01256	1.5
78.95770	21.7
79.95607	2.5
85.02852	0.9
89.02360	1.0
93.03310	1.4
96.95891	100.0
96.96844	41.7
98.02356	10.7
121.02818	0.7
166.04938	0.9
170.36322	0.8
173.04370	2.0
191.05524	5.5
337.07736	2.5
411.20914	1.0
432.70932	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.296
Annotation	Lesterone
Peak:m/z	Relative Intensity
57.03315	2.4
59.01247	11.4
61.98679	0.8
65.03824	2.0
69.03320	1.9
69.28873	8.5
71.01237	3.3
71.04871	2.2
79.05371	1.2
81.03342	1.9
83.04449	1.1
83.04896	9.7
85.06438	4.3
89.02316	1.3
91.03870	1.3
91.05373	1.1
93.03325	1.2
95.04893	1.5
97.06474	5.5
105.06967	1.9
109.06454	3.5
111.08052	5.8
119.04901	1.6
119.08504	1.2
119.47874	0.8
121.06509	1.3
123.08022	2.7
125.09610	21.4
128.51360	0.9
133.06467	1.4
135.07976	1.1
137.09595	2.8
149.02277	1.1
149.09549	1.1
151.11160	1.7
152.99512	1.0
159.11667	1.1
163.07607	0.9
163.11209	1.5
171.10162	27.8
172.10483	1.4
178.88243	1.0
183.13783	1.9
184.14011	0.9
185.11740	3.0
187.14828	2.7
189.16434	3.2
201.12700	1.1
205.15910	7.9
207.13828	1.4
209.11784	5.9
211.13313	15.5
213.12833	1.3
213.14835	1.3
215.14375	7.4
219.10181	1.1
221.15405	5.1
231.13876	6.6
233.15411	82.2
234.15785	5.4
235.16898	1.1
237.14983	1.2
239.16269	0.9
247.13406	1.3
249.14923	31.9
250.15245	1.6
251.16534	4.1
252.13559	1.7
257.17514	2.9
283.19241	2.1
313.25125	1.9
323.23785	1.4
331.26440	5.4
339.23001	1.2
341.24780	6.6
349.27426	1.4
357.24194	1.7
359.25876	3.3
367.22702	4.2
375.25446	4.1
377.26895	2.9
385.23816	25.7
386.24161	3.0
393.26422	3.4
403.24850	73.0
404.25156	9.7
421.25916	64.8
422.26334	9.3
433.13354	1.6
477.28558	96.2
478.28830	13.5
495.29599	100.0
496.30017	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	495.2963
Annotation	20,26-Dihydroxyecdysone
Peak:m/z	Relative Intensity
50.83209	0.9
57.03317	2.7
59.01252	12.8
61.98679	1.3
63.26888	1.1
65.03828	1.5
66.37035	0.9
66.84722	0.9
68.52856	0.9
69.03330	3.6
70.33938	0.9
70.86928	1.7
70.87281	1.7
71.01256	4.0
71.04900	1.5
81.03338	1.2
83.04892	10.1
83.79606	1.2
85.06477	4.7
89.02321	1.3
91.03878	2.0
93.03349	1.4
95.04914	1.3
97.06478	4.6
104.03989	0.9
104.50003	1.0
105.06976	1.4
107.04885	1.5
107.08562	1.1
109.06474	4.0
111.08046	7.8
119.04967	1.7
121.06457	1.1
122.35703	1.1
123.08062	2.7
125.09600	13.1
127.11161	1.3
133.06470	1.2
135.08066	1.5
137.09595	1.6
145.06448	1.1
151.11176	1.7
153.09169	1.1
159.11667	1.0
163.11263	1.8
171.10179	61.5
172.10516	2.7
175.11212	1.2
185.11787	2.4
187.14882	3.3
191.10596	1.1
193.12207	1.1
203.14311	1.7
205.15918	11.0
207.13872	2.7
209.11736	5.5
211.13333	8.4
215.14330	3.0
221.15402	6.7
231.13861	8.2
233.15424	36.2
233.17769	2.1
234.15820	3.0
235.13182	2.9
235.17111	1.4
237.14925	1.5
239.16534	1.9
249.14912	31.6
250.15297	2.2
251.16455	2.4
257.17606	4.3
283.19144	1.7
291.16135	1.1
313.25345	1.6
323.18295	1.5
323.23938	2.0
331.26376	3.5
339.23254	2.1
341.24838	4.9
357.24347	1.7
359.25888	4.4
367.22818	3.5
375.25375	3.1
377.27002	3.4
384.73398	1.0
385.23810	14.9
386.24155	1.9
393.26379	2.5
403.19437	1.5
403.24890	54.6
404.25168	6.1
421.25946	89.2
422.26352	11.9
477.28564	23.1
478.28925	3.5
495.29633	100.0
496.30032	15.9
514.85553	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23001	0.5
57.03301	0.6
59.01248	100.0
59.52475	0.5
59.86495	0.5
60.01599	1.0
70.53561	1.0
70.53944	1.1
71.01265	2.5
71.16388	0.6
73.02818	15.6
83.01266	0.6
85.02821	10.0
87.04385	60.9
88.04716	1.0
89.02322	1.1
96.95903	1.7
101.02350	1.3
103.03889	6.6
113.02346	1.1
135.60219	0.6
141.69286	0.6
173.04520	0.6
213.14920	0.6
291.15839	0.6
343.53430	0.6
405.21414	1.1
435.22491	1.0
495.30490	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.7
59.01250	18.4
61.98694	1.7
71.01249	6.8
71.58607	0.8
73.02808	2.7
83.01271	1.3
83.04911	0.6
85.02830	2.5
87.00740	1.5
87.04391	0.9
89.02312	4.7
93.03339	1.1
96.95869	0.7
99.00788	0.7
101.02321	5.5
113.02332	2.7
119.03378	1.6
125.02296	0.7
131.03391	0.9
134.06021	1.0
134.35646	0.6
135.04431	0.7
136.07521	0.9
137.02310	0.8
143.03372	0.8
149.04440	1.9
161.02353	0.6
161.04463	2.5
173.04431	0.9
177.09155	1.6
179.05600	0.5
183.13805	9.0
184.14323	0.6
190.05043	2.0
191.05623	2.5
192.06583	0.7
195.13853	8.0
196.13936	0.5
213.14894	100.0
214.15242	6.5
241.09776	2.9
242.10484	0.7
247.16940	1.3
253.09254	30.7
254.09586	1.2
256.12106	1.7
257.12927	5.8
274.24982	0.6
291.16028	1.3
300.11087	0.7
301.11938	2.0
327.21646	0.7
337.12067	1.2
338.12924	0.6
435.22021	0.7
449.23471	0.9
495.23798	1.3
521.07233	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	3.1
57.03311	5.2
58.00475	1.8
59.01249	96.0
61.98688	4.1
64.63173	1.6
68.59253	1.7
71.01249	63.8
71.58356	2.0
72.01582	1.7
72.99181	3.6
73.02811	21.0
83.01263	16.5
85.02824	32.8
87.00752	3.3
87.04382	3.9
89.02316	16.0
93.03333	7.8
95.01283	5.3
95.26096	1.9
97.02853	3.7
99.00758	7.2
100.59158	1.5
101.02316	49.9
103.03878	1.8
103.92519	1.7
109.02834	2.2
111.04424	2.5
112.98669	1.8
113.02314	23.7
119.03386	6.2
122.06005	3.8
125.02353	4.7
135.04402	4.7
137.02345	2.1
140.72867	1.7
141.06558	3.8
143.03391	2.2
146.03635	1.7
149.04453	2.6
152.99359	1.8
159.02908	1.5
160.01572	2.1
161.02315	3.0
161.04445	15.5
163.06050	3.1
166.35306	1.7
167.85883	1.6
173.04466	24.0
174.01616	5.1
177.01851	3.5
179.03400	7.1
191.05537	14.1
201.14761	2.3
205.03256	2.0
213.09172	6.2
239.08223	6.3
254.10605	2.6
257.12823	2.8
269.12927	22.7
270.13214	3.4
289.11237	2.8
289.16565	74.6
290.16910	5.2
313.11838	7.3
315.19504	4.3
331.12991	1.9
363.20105	12.4
364.20679	2.4
435.22321	100.0
436.22595	10.6
452.18643	2.0
495.24841	8.0
496.17706	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	495.0778
Annotation	Hibiscetin 3-glucoside
Peak:m/z	Relative Intensity
59.01252	26.9
63.02266	6.3
65.00190	9.4
65.35566	2.1
68.99746	2.6
71.01253	16.4
73.02809	6.0
78.47478	2.2
79.01763	2.5
81.03328	2.7
81.75435	2.6
83.01242	6.6
85.02839	6.6
89.02306	9.1
93.03366	7.7
95.01275	7.3
99.00731	3.5
101.02311	8.0
106.00470	3.1
107.01266	10.8
109.02840	14.9
109.99948	2.9
111.00751	10.4
113.02282	5.8
121.02784	2.5
123.00752	12.6
124.01517	6.7
124.98668	4.2
125.02320	9.8
133.02875	6.8
135.04419	3.4
136.07584	2.8
136.98773	3.0
137.02339	8.1
139.00276	15.1
139.03897	2.6
143.04929	6.2
144.91006	2.6
145.02820	3.9
147.04395	2.8
148.01529	4.4
149.02357	8.5
149.04433	3.5
149.99475	9.0
151.00266	33.5
152.00949	8.0
153.01817	6.7
154.99731	4.8
159.04395	8.0
161.02371	11.5
161.06039	3.2
163.00269	7.0
163.03922	4.3
165.01781	4.0
166.99731	6.4
167.03448	2.5
168.00597	5.5
169.01318	4.6
171.04456	8.8
173.02260	4.5
173.04480	10.9
173.05803	2.4
174.03104	4.5
175.03906	17.2
175.99254	2.4
177.01822	6.8
177.98993	9.4
178.99786	40.7
179.03314	5.0
180.00452	3.5
181.98380	4.2
187.03915	12.3
189.01801	8.1
189.05452	2.7
190.02580	4.9
191.03471	4.7
191.05507	15.9
192.00446	2.5
192.06036	3.0
193.01344	5.7
194.99292	6.1
198.03156	2.6
199.03909	11.5
201.01869	5.2
202.02663	6.2
203.03397	18.6
205.01295	5.6
205.05048	3.7
209.00827	4.3
213.01836	4.7
214.02542	4.9
215.01596	2.7
215.03439	17.8
217.01442	6.0
217.05119	2.8
218.02161	2.4
219.02914	7.3
222.98831	4.5
225.15945	2.4
227.03337	4.9
230.01962	4.3
231.02946	17.7
232.03735	22.4
233.00793	4.8
233.04367	12.7
241.01331	4.2
242.02171	4.6
243.02902	25.0
244.03384	3.4
245.04475	3.2
246.01387	3.2
247.02518	4.9
257.00793	5.0
258.01672	5.9
259.02408	15.7
260.03262	5.9
261.03934	6.9
269.00858	4.7
271.02444	54.5
286.01248	8.7
287.01941	63.3
288.02567	9.5
289.03445	7.1
297.00446	4.7
299.01993	54.2
300.02469	5.9
303.01529	4.2
305.03186	3.1
314.00430	6.1
315.01468	100.0
316.01871	6.3
332.01660	23.3
333.02487	17.2
343.67099	3.4
355.06650	3.6
363.16739	4.4
363.23611	4.5
395.09827	9.0
423.09180	4.3
451.08481	5.5
451.32904	7.4
452.33066	4.1
462.07980	8.9
463.08221	4.0
477.06897	5.9
495.07761	69.4
495.14975	3.7
496.08066	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12492	0.5
59.01249	6.3
61.98672	0.8
71.01268	0.8
73.02827	0.8
74.66651	0.5
79.79037	0.5
90.97020	2.1
96.95945	0.7
100.50829	0.5
104.75383	0.6
111.04992	0.6
117.90559	0.6
118.96472	1.1
132.98071	5.9
160.97578	0.7
165.12691	1.2
174.99181	7.1
181.12314	0.8
183.13818	16.8
184.14261	0.6
186.99155	0.8
209.11821	1.1
215.02289	0.7
227.12750	1.2
229.03856	1.0
229.35503	0.7
235.06436	0.9
243.05508	1.1
255.09122	2.9
257.10736	4.6
265.08273	2.1
277.07468	0.7
281.07028	0.6
283.08655	8.1
295.08548	0.8
297.10181	4.7
299.11758	10.0
301.09662	1.5
327.07510	1.3
341.08954	0.6
343.10452	1.0
353.16522	0.8
367.17947	1.6
399.18472	0.9
401.20007	1.1
407.20959	0.8
413.20435	0.8
418.17657	0.7
419.21017	1.7
421.22629	4.3
422.22989	0.7
423.24670	3.0
431.21127	11.8
432.21500	2.1
449.22391	6.0
449.28354	0.9
450.22580	0.7
463.20074	0.8
465.21414	1.3
467.23312	0.7
475.20111	11.6
476.20493	1.3
493.21176	100.0
494.21558	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	493.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	41.6
61.28252	1.1
61.98692	3.5
71.01240	10.2
71.01566	1.2
71.58302	1.7
72.99162	1.5
73.02824	4.1
81.02046	1.3
83.01250	2.1
85.02823	4.8
87.00765	1.5
87.05509	4.0
89.02312	7.0
93.03349	1.5
94.57821	1.0
95.01282	1.4
96.03146	2.0
99.00766	1.8
101.02280	6.4
107.03678	1.8
107.04930	1.2
108.04427	100.0
109.04799	2.6
110.09636	2.7
111.07908	1.0
113.02319	4.1
116.04939	10.8
118.02860	3.7
119.03397	2.7
122.09656	3.6
123.01881	2.0
123.04360	1.7
124.01576	1.3
129.10225	27.5
130.08627	47.9
132.04445	5.1
134.02380	5.0
134.05998	3.8
135.04385	2.1
136.03941	14.0
137.02425	1.7
138.09087	1.9
139.08696	1.9
140.10722	2.2
141.10222	1.6
143.11801	4.7
144.72722	1.2
147.04393	1.5
149.04439	2.4
152.09494	1.5
153.10234	30.1
154.08617	1.6
155.11797	25.4
156.06604	6.7
158.08110	3.8
160.03922	11.7
161.02377	1.6
161.04462	1.3
162.05457	1.5
165.10252	7.5
169.09811	1.7
173.04428	3.8
177.01915	2.1
179.03409	3.9
180.00525	2.8
180.08943	3.9
181.09743	19.4
183.11320	4.9
191.05519	4.9
194.10500	3.0
195.02899	3.4
195.14009	1.2
200.13992	1.7
204.02838	2.6
216.69325	1.2
224.10272	3.0
225.08742	27.6
225.19682	4.1
226.09294	1.4
229.13437	3.7
237.11159	5.4
238.93141	1.1
250.19423	1.4
251.17616	27.1
252.17470	3.1
256.20285	1.8
268.20248	14.0
269.18671	3.4
273.12424	4.5
276.17108	3.7
290.11743	1.5
291.13525	3.8
294.14899	2.5
294.18198	42.9
295.18808	2.6
300.19305	1.9
312.19250	37.8
313.19574	3.7
316.13080	1.7
317.11389	8.8
326.17166	4.9
331.08057	4.8
331.24774	1.3
338.17206	82.4
339.17419	7.3
356.18033	1.3
361.18826	2.0
361.22226	3.9
421.24655	2.6
493.22192	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	491.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.7
57.03308	0.9
58.00462	0.8
59.01249	41.1
60.01592	0.5
63.37079	0.3
69.03320	0.9
69.93681	2.0
71.01253	17.0
72.99166	1.4
73.02817	4.5
75.00716	0.6
81.03318	0.4
82.46529	0.3
83.01252	3.0
83.14207	0.4
85.02822	7.3
85.99961	0.5
87.00751	5.8
89.02305	2.7
95.01247	1.4
97.02811	0.9
99.00739	1.8
101.02311	8.2
103.03887	0.4
111.00760	1.1
112.01537	0.6
113.02325	4.8
113.09587	1.8
119.03424	0.7
124.01545	0.9
125.02326	2.2
127.11185	0.8
142.48962	0.3
143.03403	1.0
149.04407	0.5
155.10684	0.7
157.12256	1.2
191.05525	0.9
195.13773	0.6
207.59694	0.4
213.14909	1.2
223.20793	0.5
239.20111	1.1
241.21725	1.8
269.21170	6.7
270.21432	0.7
271.22919	0.4
285.20734	1.2
287.22266	55.6
288.22620	3.2
299.22159	0.9
301.23764	0.9
311.22287	0.5
329.23291	1.7
384.48438	0.4
431.26505	23.8
432.26794	2.6
449.27530	52.9
450.27991	5.8
491.28592	100.0
492.28946	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58814	3.7
59.01249	49.6
71.01263	16.3
71.58804	4.5
73.02817	6.6
82.46544	3.4
85.02821	8.8
87.00729	3.5
89.02318	12.4
96.95910	6.2
96.96808	3.3
97.12016	4.7
101.02313	12.2
109.02831	3.9
113.02311	10.7
119.03378	4.8
124.01579	5.5
125.02300	5.6
137.02312	17.0
139.03911	9.2
144.75607	3.8
149.05991	3.9
151.03937	17.0
161.02380	5.7
163.05978	4.9
165.01857	5.7
166.02605	3.8
166.06233	9.0
167.03430	4.7
173.04480	5.1
176.04744	18.3
177.05493	33.1
181.05006	6.7
191.05475	8.8
191.07114	12.0
192.07819	8.2
194.05804	4.3
195.06522	8.5
198.05147	5.9
303.08771	21.8
335.02814	3.8
343.11893	12.9
358.14249	8.5
361.12946	7.4
361.22116	4.4
371.15002	8.5
373.16483	33.5
403.17572	9.3
406.16144	7.7
421.18686	100.0
422.18811	10.4
433.24179	11.1
493.10236	5.3
493.22791	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18148	0.4
55.01754	0.8
57.03314	0.7
58.00482	0.5
59.01248	100.0
60.01603	1.1
69.03336	0.7
70.04375	1.9
71.01253	14.3
72.99169	0.5
73.02813	9.6
83.01249	3.4
83.04907	0.5
85.02814	5.2
87.00759	1.2
89.02309	5.8
93.03347	0.5
95.01240	0.9
96.10973	0.4
96.95879	0.4
99.00780	1.2
101.02317	13.2
111.00767	0.6
113.02327	7.3
113.03058	0.7
117.05429	0.5
119.03421	2.0
125.02341	0.6
135.04454	0.9
137.02292	0.6
143.03441	1.8
149.04442	2.1
153.09160	1.8
161.04437	4.4
165.86378	0.4
173.04491	0.9
179.03525	0.6
184.72432	0.5
191.05609	1.5
204.48233	0.4
209.15410	2.2
217.12369	0.5
266.64594	0.4
269.17593	0.8
287.22369	1.2
359.20908	0.6
371.20654	4.4
389.21609	3.1
431.22382	4.0
431.27576	8.7
432.27335	0.8
449.27789	5.3
450.28036	0.6
491.29874	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	9.1
63.14753	2.8
65.79039	3.3
71.58404	3.8
78.95773	30.3
81.29498	2.7
82.94997	2.9
152.99490	41.4
181.12294	6.4
195.00565	4.4
199.13434	4.4
213.01622	8.5
273.56000	3.3
277.21725	100.0
278.21954	8.4
280.23486	4.0
286.30136	3.1
295.22736	3.2
431.21780	3.8
473.23050	35.5
474.23499	4.2
490.97592	6.6
491.17331	3.6
491.25031	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	491.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50306	1.4
57.03324	2.4
59.01249	100.0
60.01602	2.0
67.01743	1.7
71.01248	15.4
72.99167	1.4
73.02817	9.0
74.02322	1.3
83.01261	4.3
85.02802	6.5
87.00749	2.5
89.02310	7.7
93.03362	2.9
96.95885	3.6
101.02316	14.0
109.06467	1.5
113.02303	7.3
119.03384	2.9
125.02320	2.4
131.03392	1.5
141.60181	1.7
155.03342	1.7
161.04437	3.5
164.53525	1.3
173.04482	2.1
177.29898	1.4
179.03378	2.1
183.57449	1.6
191.05544	13.9
204.06187	1.4
254.80470	1.3
255.06715	2.5
259.06085	5.0
299.05576	5.1
371.16895	2.0
491.11694	4.2
511.80157	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	491.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51321	42.6
51.72625	49.7
60.26544	50.4
70.67795	48.3
71.25567	100.0
98.49421	50.6
122.60877	49.7
146.64561	56.5
149.04448	56.2
173.37489	58.9
232.64273	48.9
247.12941	90.2
291.08282	52.0
319.33081	56.8
358.70477	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
59.55113	0.3
60.01588	1.5
61.01675	0.5
71.01251	10.8
71.58411	0.5
72.99194	0.8
73.02820	8.8
75.00743	2.1
75.06005	0.3
83.01242	2.6
85.02819	2.2
87.00749	0.6
89.02311	4.9
89.49129	0.3
93.03333	0.5
95.01260	0.9
96.95892	0.7
97.02812	0.7
97.64812	0.3
99.50388	0.3
101.02318	9.8
102.02624	0.4
108.02063	0.5
109.02880	0.6
111.04414	0.6
111.08063	0.8
113.02327	5.3
113.03035	0.5
115.03928	0.6
119.03384	1.8
125.02338	0.6
131.03424	1.2
131.84863	0.4
135.04451	1.6
141.09129	0.5
143.03441	1.1
146.03651	0.9
147.03130	0.4
149.04482	3.1
153.01892	0.8
153.09138	2.1
155.03459	0.5
159.37723	0.5
161.04460	3.5
161.05743	0.6
165.01952	1.0
167.03423	0.5
173.04443	1.1
179.03452	1.2
183.68134	0.4
191.05632	1.1
193.05000	0.7
203.05600	0.5
209.15381	2.2
209.77910	0.4
221.06831	0.4
227.16425	0.4
242.35416	0.3
256.10181	0.4
311.07913	1.2
359.20853	1.0
371.20715	3.6
372.21066	0.5
389.21924	1.5
431.22748	5.7
431.27893	0.4
432.23340	0.9
449.23636	0.4
491.12268	1.2
491.25604	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01364	0.9
59.01245	2.0
69.87446	5.8
71.01253	9.7
71.07383	1.0
72.76039	0.9
73.02819	5.4
77.33373	1.0
82.11999	0.9
87.00760	2.6
89.02316	38.4
95.91251	1.1
96.20107	1.0
98.19901	1.9
102.31523	0.9
103.03908	3.0
131.03404	10.0
149.04456	100.0
149.36240	0.9
150.04779	2.5
170.61642	1.1
210.77684	1.0
212.94923	1.0
455.85403	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17371	1.8
51.72458	1.9
55.01752	3.3
57.03313	2.9
59.01250	100.0
61.11823	1.8
65.10930	1.7
71.01247	30.9
71.20837	4.1
72.99168	2.3
73.02806	16.4
83.01250	7.2
84.00690	2.1
85.02814	13.7
87.00756	6.4
89.02313	11.4
91.12547	1.7
93.03332	6.4
95.01268	2.8
98.83141	2.1
99.00748	8.7
101.02315	23.3
103.91842	2.6
111.00764	2.4
113.02319	10.4
116.79137	2.0
119.03387	4.1
119.04958	2.6
121.02832	3.4
125.02305	2.0
125.23580	1.8
135.04405	3.0
149.04489	3.7
154.32655	1.8
155.14279	7.8
161.04460	3.0
171.10159	2.9
173.04417	5.3
176.03902	4.9
178.72035	1.9
179.03435	4.9
181.15891	3.0
191.05551	3.9
199.13333	15.3
217.00195	3.0
225.14850	3.6
269.21423	4.2
287.22177	11.2
329.23309	3.7
335.07596	2.4
387.20227	7.8
388.20370	2.6
389.21045	2.1
405.12402	5.8
405.21201	16.0
431.26395	14.6
447.22336	74.0
448.22742	7.4
449.27579	25.4
450.27939	3.2
491.28601	90.5
492.28909	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	489.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77230	0.1
55.01765	0.2
57.03312	0.2
59.01249	4.7
59.08730	0.1
69.74647	0.5
69.75060	0.4
71.01254	3.6
72.01580	0.1
72.99184	0.1
73.02816	0.9
75.19234	0.1
78.95775	3.6
83.01256	0.6
85.02830	0.8
85.20354	0.1
87.00755	0.4
89.02313	3.2
89.62556	0.1
91.03902	0.2
95.01240	0.2
96.96859	0.3
99.00753	0.3
101.02320	4.1
110.99068	0.1
113.02322	1.7
115.03860	0.2
119.03387	0.9
125.02316	0.3
133.04962	0.4
136.91638	0.2
143.03391	0.4
143.47585	0.1
144.52841	0.1
152.99487	4.5
153.00737	0.2
153.99883	0.2
161.04445	1.5
171.00624	0.1
179.05516	0.4
225.27446	0.1
235.08188	1.3
244.34177	0.1
253.09285	12.6
253.21700	100.0
254.09567	0.7
254.22038	8.6
404.97943	0.1
424.76642	0.1
431.21860	1.4
489.17953	0.5
490.17850	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38958	1.0
58.37873	0.9
59.01247	100.0
70.87820	3.0
71.62106	0.9
78.95744	1.3
82.11358	1.0
115.20996	1.2
138.60918	1.0
228.48244	1.0
255.23285	4.8
355.32324	2.3
390.09802	1.1
428.56036	1.1
503.58749	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07121	1.0
59.01253	2.4
70.86349	2.3
70.86671	1.4
71.01234	2.1
81.03324	6.9
83.01244	9.9
85.02834	1.5
93.03343	2.4
95.01276	2.0
95.04890	3.9
97.02824	2.6
99.00772	1.3
99.04414	2.5
101.02249	1.2
107.04907	2.5
109.02819	2.3
111.04411	2.6
112.95464	1.1
113.02317	2.4
119.04924	1.4
121.02843	2.5
122.03613	1.4
123.00776	1.2
123.04395	15.6
125.02345	8.3
135.04382	3.5
137.02333	3.5
137.05997	6.5
139.03896	7.2
142.92401	1.1
149.02347	1.6
151.03954	2.5
153.05525	2.0
161.05991	1.5
163.03894	2.2
164.04620	2.1
165.01822	2.5
165.05449	3.3
167.03419	22.3
177.05466	1.4
179.03416	7.1
180.04132	2.4
181.04980	2.1
189.05457	2.1
191.03563	1.5
193.04987	5.2
197.04485	4.4
207.06450	1.5
209.04485	37.4
210.04945	1.3
221.04482	10.0
223.06166	1.2
235.06061	2.7
239.05579	13.2
251.05582	100.0
252.05933	7.4
263.05621	6.0
281.06631	65.0
282.07047	4.3
293.06567	3.4
311.07721	17.0
323.07526	1.7
353.08792	6.1
371.09799	17.3
372.10098	1.3
383.09610	5.6
401.10742	2.3
491.13998	10.9
492.14301	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	63.2
60.01579	2.9
62.90639	1.7
68.09917	1.8
69.58707	13.5
71.01253	11.0
73.02790	3.4
85.02801	2.8
89.02305	7.8
96.95846	2.3
101.02299	10.1
113.02322	5.3
135.04407	4.7
137.02345	6.2
145.02769	4.3
151.03876	8.4
161.02412	3.3
161.06036	2.0
162.03107	8.1
163.03931	16.0
166.02699	3.4
166.06210	2.1
173.02342	2.1
173.04523	3.0
174.03116	3.2
175.03935	15.4
176.04655	3.7
177.05421	5.9
179.03349	6.1
180.04144	7.1
188.04764	2.9
189.05438	7.6
190.06271	20.0
191.05481	4.4
191.07034	13.6
193.04985	8.5
194.05731	6.6
203.07028	2.7
205.08658	15.7
207.06561	4.8
208.07309	14.3
253.82178	2.3
279.37216	2.0
329.10159	3.8
359.11121	2.3
359.20825	2.0
389.16064	100.0
390.16556	14.6
491.24783	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	489.234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49792	0.2
59.01249	100.0
60.01578	1.2
71.01250	1.3
72.95454	0.2
73.02823	0.8
76.76423	0.2
85.02843	0.7
86.92298	0.2
88.76009	0.2
89.02323	0.7
96.95967	0.2
98.19746	0.3
99.00752	0.2
99.63609	0.2
101.02351	0.8
113.02356	0.6
125.02395	0.3
137.15196	0.2
148.28960	0.2
149.02332	0.3
161.04514	0.3
173.04446	0.4
191.05620	0.8
209.90375	0.2
229.65039	0.3
289.63895	0.2
387.20505	0.4
403.09204	0.3
429.21579	0.6
489.23514	0.9
489.30630	3.1
490.31012	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85558	0.4
59.01248	100.0
60.01600	0.8
65.37924	0.4
71.01261	2.9
71.58302	0.6
73.02824	1.1
77.81060	0.3
79.70141	0.5
83.01253	0.7
83.04911	0.5
85.02839	1.2
89.02318	0.5
93.03331	0.5
95.01251	0.4
101.02325	1.1
113.02351	0.8
119.04891	0.6
122.89291	0.4
125.09624	0.6
132.02519	0.4
135.04480	0.5
161.02396	0.5
173.04512	1.0
191.05606	0.7
201.11200	0.4
313.27808	0.5
315.12466	0.5
327.12500	1.2
357.26389	6.3
408.24872	0.5
429.25204	1.0
447.26205	1.5
489.26718	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	489.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57039	53.4
72.93685	50.0
112.03871	50.2
122.12753	50.5
132.03622	51.0
144.02905	100.0
147.27631	43.3
165.71848	45.8
191.05544	68.7
243.09836	65.4
245.11380	64.3
346.25525	52.0
489.24283	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01590	1.2
71.01266	1.2
71.44914	0.6
73.02834	0.5
83.01244	0.4
89.02354	0.7
99.00731	0.3
101.02336	0.9
113.02362	0.6
133.02811	0.3
137.02342	0.4
161.04491	0.4
169.40794	0.3
172.40810	0.2
177.01872	0.4
209.43391	0.3
245.75633	0.3
387.20334	0.8
429.21597	0.5
435.48914	0.3
448.90436	0.3
489.10965	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02848	57.8
59.01250	19.6
64.83004	1.3
71.01257	8.6
71.57748	2.7
72.99181	2.8
73.02818	3.4
74.02348	1.6
75.00739	24.6
77.08216	1.4
82.02832	1.4
85.02792	2.8
87.00783	2.6
89.02323	4.9
93.03342	1.9
96.95887	2.7
99.00742	1.8
101.02325	11.1
102.01847	100.0
103.00262	2.3
103.02210	1.6
103.03851	2.6
109.02818	2.0
110.79685	1.4
113.02348	1.7
116.23208	1.2
125.99027	1.5
137.02356	2.7
144.02919	1.7
149.02296	1.8
151.00227	1.8
151.07443	2.4
163.15491	1.4
173.04478	3.3
179.03430	1.6
179.05556	1.7
191.03938	1.5
191.05479	7.5
195.06538	2.3
259.09338	4.8
260.09558	3.2
262.70892	1.5
269.04599	1.7
361.65378	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	489.1038
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
54.01818	0.2
57.94590	0.2
59.01252	7.8
63.02281	0.2
65.00193	0.5
65.93497	0.1
68.57796	0.1
69.36791	0.6
69.37209	0.8
73.02843	0.2
83.01241	0.3
85.02808	0.3
93.02802	0.1
93.03343	0.6
95.01219	0.2
98.38396	0.1
101.02330	0.4
103.19271	0.1
107.01266	1.7
109.02779	0.3
113.02306	0.2
117.03389	0.2
120.02005	0.2
132.02046	1.1
135.00766	1.1
137.09579	0.2
139.56184	0.2
142.02267	0.1
143.04898	0.4
145.02795	0.2
151.00282	2.0
157.06476	0.3
159.04428	0.4
161.04404	0.2
163.00249	1.4
164.01022	0.4
167.04840	0.3
169.01352	0.3
169.06499	0.3
171.04424	0.3
177.01842	0.4
178.99759	0.2
183.04472	0.8
185.02353	0.4
185.06047	1.1
187.03900	1.3
189.05411	0.4
190.99818	0.3
195.04459	0.2
197.05992	0.4
199.03894	0.6
200.04662	0.5
201.05490	0.3
209.00780	0.2
211.03896	1.7
212.04585	0.2
213.05502	0.8
227.03441	28.0
228.03818	1.8
229.05022	3.5
230.05312	0.3
239.03452	1.4
240.04182	0.4
241.05061	0.6
255.02960	60.6
256.03461	6.8
257.04526	2.8
258.04858	0.2
267.02765	0.3
283.02380	0.9
283.05728	0.2
284.03250	100.0
285.03931	34.1
286.04370	2.2
286.12561	0.2
291.86584	0.2
327.05011	0.8
339.04901	0.2
360.62610	0.2
429.08356	0.3
447.09305	1.9
448.09326	0.3
489.10373	47.9
490.10706	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	487.3426
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
52.89664	0.5
55.87750	0.5
59.01245	1.7
66.88908	0.5
70.20815	2.1
71.04891	1.7
73.02775	0.4
96.95882	0.7
108.84834	0.5
152.51178	0.6
164.26636	0.5
169.25798	0.4
238.64494	0.5
274.22659	0.5
407.33066	1.6
423.32437	1.0
427.32144	1.7
439.32172	0.9
443.35269	0.6
469.33212	15.1
470.33563	2.7
487.34262	100.0
488.34601	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	487.3427
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
50.87185	0.3
59.01256	2.2
60.37012	0.3
65.00192	0.4
70.57214	0.3
71.28780	0.4
71.29120	0.4
73.66656	0.3
79.95160	0.3
83.39742	0.3
84.88591	0.3
110.39100	0.4
142.53346	0.3
145.34966	0.3
216.24062	0.3
248.76747	0.4
272.53537	0.4
320.39130	0.3
389.36511	0.3
439.32465	0.5
457.33234	1.4
469.33215	2.5
487.34268	100.0
488.34656	14.0
488.41782	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43040	1.8
52.66631	1.8
59.01250	100.0
61.98695	1.8
68.80853	1.6
70.60984	7.3
71.01244	11.9
71.02069	1.9
73.02815	2.9
75.60896	1.8
78.08899	1.9
85.02824	4.2
89.02326	2.6
101.02312	8.9
110.24522	2.3
113.02326	6.1
120.18019	2.0
137.22928	2.1
161.04428	3.0
173.04497	5.3
178.75401	1.9
285.33246	1.9
341.19608	4.4
343.28574	3.0
347.50540	2.1
458.59888	1.9
487.25345	3.7
487.32477	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	487.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94108	2.2
59.01252	100.0
61.98724	2.2
67.10651	2.1
71.01259	15.3
71.27411	4.2
73.02825	7.9
76.30517	2.2
83.01273	4.4
83.04912	4.1
84.95016	4.1
85.02831	7.8
89.02313	6.0
93.03347	6.9
96.95863	2.9
99.00761	5.5
101.02326	11.5
113.02310	7.4
119.03419	2.3
125.87169	2.8
127.07542	2.8
129.05403	2.7
146.39284	2.7
148.66229	2.1
161.04427	3.4
173.04485	15.5
196.54414	2.2
205.86145	2.5
318.03244	5.8
355.24969	5.4
363.24304	2.5
443.22787	8.2
468.47696	2.5
487.25897	3.8
487.33859	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.5
59.01248	15.5
69.03307	0.7
70.02853	3.7
71.01247	4.1
71.13899	0.8
71.14249	0.7
72.00780	14.8
72.99194	3.9
73.02809	1.6
82.02861	2.5
83.01258	0.6
83.04917	0.7
85.02825	2.5
86.02355	2.9
87.00768	0.7
89.02296	1.9
93.03335	1.8
94.02852	1.5
95.04908	0.7
96.00752	0.8
96.04424	5.9
96.95861	1.0
96.96937	0.5
97.02821	0.9
97.03969	0.8
97.04697	0.5
98.02356	5.2
98.05992	0.8
99.00752	3.2
100.03913	2.2
101.02333	1.0
102.01840	0.8
106.06502	1.3
107.04848	1.0
108.04433	1.6
109.02789	0.8
109.03942	0.5
110.06018	0.6
111.04459	0.7
112.03915	0.6
113.02271	1.2
113.03447	0.6
115.05004	2.0
116.03420	1.5
117.03294	0.7
121.02828	0.7
122.06020	1.8
123.04456	0.8
124.03932	1.3
124.07584	2.8
125.02259	0.7
128.03447	2.3
133.02855	1.1
134.03609	1.6
134.06015	1.5
135.04427	2.6
136.03946	1.9
137.07083	0.6
138.05521	2.6
140.07077	1.0
143.04535	3.7
144.02922	22.4
149.02338	1.1
149.07083	1.4
150.05516	3.0
152.07098	1.1
153.09103	0.9
154.04990	1.3
155.03464	0.6
157.25238	0.5
161.04436	0.7
161.05676	0.7
161.07097	0.6
162.05469	1.0
164.04652	1.1
167.08163	3.6
168.06572	1.7
173.04475	2.0
177.01833	0.6
178.02536	0.6
179.03366	1.2
179.08205	2.4
180.06540	1.9
180.68265	0.5
191.05557	3.7
193.04955	1.8
194.04567	0.9
197.09280	2.3
205.08768	0.5
205.12286	1.1
209.11760	0.8
211.07185	1.0
223.05997	1.6
224.05630	1.0
241.08261	14.9
242.06479	0.6
259.09326	100.0
260.09653	4.4
299.01892	0.6
367.17471	1.3
385.18518	0.5
427.19754	0.9
430.62097	0.5
487.13834	1.2
487.22711	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95868	0.2
57.03310	0.3
59.01250	100.0
60.01592	0.9
69.35796	1.9
71.01250	1.3
73.02824	0.5
85.02835	0.6
87.00726	0.2
89.02342	0.8
93.03338	0.3
96.95907	0.2
98.29532	0.2
99.00742	0.2
101.02338	0.8
107.64443	0.2
111.04433	0.2
113.02383	0.4
119.03363	0.3
121.02839	0.3
129.31628	0.2
145.02896	0.2
149.04422	0.4
154.81483	0.2
160.01643	0.2
169.54639	0.2
173.04539	0.5
174.39861	0.3
175.46126	0.2
177.64484	0.2
179.10754	0.5
187.07550	0.3
191.05602	0.6
223.09824	0.2
223.13399	0.2
231.10303	0.5
275.09219	0.3
301.20203	0.2
301.33847	0.2
307.19122	0.4
367.21680	0.2
383.22168	0.2
385.18729	0.3
427.19724	0.3
487.25647	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03294	0.6
57.03311	1.7
59.01249	59.0
60.01578	0.7
69.03342	0.9
71.01252	13.3
72.99168	1.0
73.02811	8.5
79.53273	0.7
83.01248	2.4
85.02825	2.9
87.00770	3.0
88.21574	0.6
89.02317	32.0
93.03348	1.9
96.95863	1.2
97.02876	1.1
98.02346	1.0
98.19849	1.9
99.00738	0.8
100.74762	0.6
101.02303	4.0
103.03889	1.7
113.02318	3.2
119.04913	0.7
121.02840	4.7
123.04375	1.1
125.02338	17.3
131.03391	8.4
132.02086	0.7
133.02831	0.7
134.03593	1.0
135.04430	1.2
138.09113	0.8
147.04416	2.5
149.02425	31.8
149.04454	100.0
150.02782	0.7
150.04778	2.4
151.00273	1.3
159.02902	0.6
159.89468	0.6
161.02325	0.7
161.04482	1.2
163.03886	1.0
164.04703	22.3
164.06117	1.1
165.05196	0.9
167.03394	2.3
169.01329	0.8
173.04477	1.7
179.03398	0.7
179.07047	2.0
190.02629	1.2
191.03410	2.7
191.05438	1.4
194.59337	0.7
205.05095	0.8
209.04454	4.8
223.06071	38.9
224.06367	2.6
233.04553	1.5
269.10352	3.3
311.11475	1.3
323.16260	1.3
355.10370	2.0
469.23096	1.8
487.14713	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	487.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.7
59.01252	100.0
60.01585	1.0
67.01785	0.5
71.01251	5.8
71.01611	0.7
71.35181	1.0
72.99187	0.8
73.02818	3.0
78.42268	0.5
83.01268	1.4
83.01852	0.4
85.02821	2.3
87.00759	1.4
89.02329	3.2
93.03351	2.5
96.29824	0.5
96.95902	3.8
96.96854	0.7
97.02844	0.5
99.00742	0.8
101.02308	3.3
111.04431	1.1
113.02370	1.9
119.03423	1.0
119.04885	0.5
121.02866	1.6
125.02367	0.7
135.04387	1.1
137.02333	0.7
143.03387	0.8
149.04536	1.1
161.02368	0.6
161.04475	1.0
173.04485	3.4
179.03513	1.1
179.10757	1.3
187.04042	0.5
187.07538	3.1
187.11372	0.8
191.05521	8.6
195.51106	0.5
202.06322	0.7
205.12355	1.3
223.09821	1.0
223.13481	1.1
231.10277	2.7
267.06595	0.7
275.09351	1.9
293.09055	0.9
307.19406	0.6
331.94699	0.5
371.24365	0.5
385.14227	0.9
427.14569	0.7
427.19672	0.8
449.14630	1.2
459.13553	0.9
487.25681	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	487.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26060	0.4
51.24531	0.4
53.18990	0.4
59.01250	100.0
60.01579	1.1
71.01248	2.2
71.01606	0.4
73.02808	3.2
83.01273	0.8
85.02808	0.6
89.02337	1.0
93.03329	0.6
98.20544	1.2
98.75191	0.4
101.02326	3.7
105.34587	0.4
113.02338	1.2
119.03382	0.5
119.04877	0.4
121.02863	0.7
124.63545	0.4
125.02348	0.6
135.04372	0.6
139.61136	0.4
141.63054	0.4
155.03479	0.5
161.04517	0.4
163.03995	1.0
164.04680	3.7
173.04506	1.1
175.00282	0.9
179.07082	3.0
187.11145	0.5
190.02727	1.7
191.05586	1.4
204.51053	0.4
205.05028	1.5
205.12279	2.9
271.02448	2.0
299.01944	3.3
300.02966	1.0
318.54352	1.0
319.04581	0.5
326.55688	0.5
326.90158	0.4
333.56693	1.6
334.06854	2.4
354.13644	0.5
367.10455	1.0
380.23862	0.5
438.69553	0.4
487.21945	0.7
488.12473	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	487.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.7
71.01248	0.5
71.57613	0.4
71.57974	0.4
73.02823	0.4
89.02338	0.5
93.03354	0.3
96.95885	5.3
112.76553	0.3
119.04923	0.8
121.02848	1.4
125.02342	0.8
133.02869	1.3
134.03632	40.3
135.03925	1.6
137.02328	5.9
139.03897	2.7
140.81580	0.3
145.22829	0.3
149.02252	0.4
149.04538	1.1
149.05989	14.7
150.03110	0.6
150.06310	0.7
151.00276	0.4
163.03929	0.4
163.74980	0.3
173.04456	0.4
178.02635	28.0
179.03017	1.3
191.03506	0.7
191.05516	0.9
193.04988	100.0
194.05321	4.8
256.39273	0.3
270.27945	0.3
317.48645	0.3
325.09216	0.4
355.06094	0.6
355.10318	10.0
356.10602	0.7
487.14676	4.8
488.14825	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	1.3
59.01251	100.0
60.01596	0.9
69.32590	9.9
71.01253	13.1
72.99168	1.4
73.02811	3.7
83.01245	1.1
85.02821	5.9
87.00746	3.7
89.02315	5.9
93.03313	5.9
99.00719	1.6
101.02311	11.0
107.17503	1.0
109.02841	4.0
111.04366	1.4
113.02349	4.6
119.03369	2.3
121.02851	3.2
125.02296	1.1
134.03629	12.6
135.04387	3.0
136.01581	2.7
137.02336	2.1
151.03928	2.0
159.02867	1.1
161.04472	5.1
173.04477	13.7
178.02588	1.3
179.03279	1.1
191.05542	8.6
192.05928	1.1
216.22670	0.9
223.05998	1.4
231.10132	2.3
233.10268	1.6
251.11299	24.3
252.11725	2.3
276.37775	1.1
293.12659	10.6
311.11255	4.1
313.62314	1.0
377.35156	1.0
399.12549	1.7
441.13904	1.0
467.15509	3.3
485.16611	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	485.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15940	1.2
59.01249	100.0
60.01586	1.2
66.47475	1.2
70.43538	4.5
71.01237	5.4
71.81526	1.3
73.02769	1.4
85.02824	3.6
89.02290	2.6
93.03336	3.5
101.02299	3.9
113.02346	2.2
121.87178	1.2
148.41499	1.3
149.86020	1.3
173.04500	11.4
175.69995	1.4
198.82495	1.3
206.53754	1.4
246.99644	1.4
292.92249	1.2
321.09613	1.5
398.04572	1.5
398.21228	1.5
474.32870	1.3
485.23547	1.6
492.09225	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	487.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31616	18.9
69.59351	15.0
71.06634	30.8
80.90379	17.9
99.65569	17.6
109.38465	17.2
115.00239	51.0
133.01341	100.0
134.03629	28.9
146.04491	22.1
193.04993	49.7
285.71695	18.1
311.99716	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	487.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.3
69.44871	0.9
69.45279	3.8
70.20097	0.5
71.01243	1.0
82.01157	0.6
85.02850	0.5
96.95895	1.2
119.04942	0.7
121.02798	1.1
125.02315	0.8
129.09172	0.5
131.03339	0.7
134.03630	54.8
135.04021	2.1
137.02351	4.5
139.03897	1.3
149.05986	19.1
149.07178	1.0
150.06311	1.0
163.03957	1.0
178.02628	20.0
179.03180	1.1
191.05534	1.4
193.04996	100.0
194.05322	5.3
235.06082	1.4
253.35558	0.6
355.10303	7.1
487.14771	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	2.9
60.73347	1.6
65.66536	1.7
67.40046	1.6
68.05696	2.2
71.01248	4.4
71.57146	2.4
71.57836	2.0
85.02827	4.2
87.00740	3.5
93.03329	44.6
96.95915	3.8
108.02058	2.2
109.02831	23.0
111.04417	4.2
119.71329	1.9
135.04430	2.7
146.03609	2.2
155.03358	4.0
159.04430	39.5
169.06551	2.1
172.05193	13.1
173.04466	21.5
173.05855	4.2
174.03137	2.3
174.06760	2.4
175.07483	3.8
185.05965	24.0
186.06616	2.7
187.03925	3.0
187.07559	19.9
191.05531	57.5
197.05991	6.2
200.04665	3.6
203.03343	2.0
203.07079	21.0
213.05499	6.5
215.07076	100.0
216.07378	6.6
233.08139	46.4
247.06039	7.7
252.89737	2.0
259.06104	23.8
261.00308	2.8
277.07132	5.8
306.55853	1.9
421.11447	7.9
423.19339	2.1
433.11401	30.6
451.12393	12.4
483.14908	5.7
497.79962	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95581	0.4
59.01248	2.3
62.98075	0.3
64.32088	0.4
68.01288	0.4
69.98376	0.4
70.70953	1.0
71.01251	2.1
78.95773	19.6
79.95617	1.8
85.02824	0.8
89.02319	1.1
93.03354	0.9
96.95895	100.0
96.96848	39.1
98.02352	14.8
101.02298	0.6
111.00741	0.5
113.02386	0.4
119.03359	0.4
119.04921	0.7
137.02415	0.4
139.07495	0.5
149.04417	0.4
152.00992	0.4
153.01608	0.4
173.04538	2.0
173.05876	0.5
178.93633	0.4
179.03491	0.5
179.05551	0.5
187.07552	0.4
191.05513	4.4
203.07088	0.7
229.08603	0.4
244.13329	0.6
247.09712	1.0
280.06226	0.5
291.08777	0.8
360.30063	0.4
365.40564	0.4
483.14139	1.5
485.12875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81526	0.2
52.58917	0.3
58.81764	0.2
75.54653	0.2
78.95769	6.9
81.02818	0.2
96.96805	0.5
113.47763	0.3
123.27211	0.2
152.99483	14.4
153.99814	0.3
167.44122	0.3
171.00542	1.3
210.13409	0.3
227.03265	3.0
227.51607	0.3
237.22206	0.4
238.79184	0.3
245.04433	1.3
255.23256	100.0
256.23602	8.2
333.51233	0.3
421.30865	0.3
483.27249	26.9
483.58530	0.3
484.27734	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	481.2251
Annotation	Dulciol C
Peak:m/z	Relative Intensity
59.01251	3.8
61.98689	0.3
64.39087	0.3
69.37842	3.1
69.91899	0.3
71.01249	2.0
73.02818	0.4
75.45496	0.3
85.02827	0.4
87.92369	0.5
89.02292	0.7
96.95879	0.3
101.02301	1.0
103.91895	1.5
106.11446	0.4
113.02330	0.6
119.03360	0.4
127.07568	0.4
130.16885	0.4
139.03856	0.3
159.50920	0.4
165.12726	0.8
167.14273	0.5
181.12274	3.4
183.13823	31.5
184.14134	1.2
187.21848	0.3
193.12318	0.8
195.13820	15.3
196.14258	1.0
211.13336	11.5
212.13715	0.5
213.14897	44.4
214.15231	3.4
227.12839	0.7
237.11142	0.4
239.07521	0.3
245.97672	0.3
254.56178	0.3
255.07010	0.5
265.05319	2.3
267.06824	3.5
268.07339	0.5
269.08435	9.5
270.08734	1.1
283.06454	0.9
285.07928	0.8
421.20526	2.3
449.20004	2.0
451.21622	3.1
463.30698	0.4
479.20999	6.3
480.21463	0.7
481.22549	100.0
482.22882	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64983	0.7
61.62143	0.6
70.10667	3.3
70.11032	1.2
78.95772	38.2
86.14336	0.6
96.96853	2.7
110.36532	0.7
152.99486	55.8
171.00563	15.5
217.04510	0.7
221.96411	0.7
227.03114	4.0
245.04282	100.0
246.04601	2.9
253.21700	66.1
254.22034	5.1
481.25705	37.9
482.26059	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41751	0.8
70.33981	3.6
78.95773	49.4
96.96832	3.3
101.12891	0.9
103.83336	0.9
106.99138	0.8
135.58449	0.8
152.99483	65.8
168.31525	0.8
171.00545	16.6
207.39441	0.9
224.06815	1.9
227.03204	3.6
245.04280	100.0
246.04559	3.0
253.21698	61.5
254.21982	3.7
255.23264	18.9
256.23593	22.4
480.30795	1.9
481.25598	40.1
481.31445	5.5
482.26001	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	483.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	70.7
71.01258	43.8
72.99182	11.0
73.02821	19.8
83.01264	9.6
85.02825	20.2
87.00735	10.3
89.02337	11.8
93.03336	27.3
95.04907	6.2
99.00735	8.1
101.02327	20.7
109.02834	15.1
121.02843	37.2
122.03618	24.0
123.00673	5.6
123.04393	9.5
124.01559	12.5
125.05908	8.1
133.06366	7.6
134.03659	11.5
135.04399	25.3
137.02322	32.0
147.04413	16.8
149.02342	12.4
149.04439	5.9
150.03114	11.4
151.03876	8.5
153.01822	8.6
155.03287	9.0
159.04369	6.8
160.05147	5.6
161.04698	5.6
161.06007	9.4
163.03889	10.9
165.05495	31.4
167.03452	10.7
173.04469	66.9
173.05858	10.8
174.04828	8.8
177.05484	8.1
178.02649	6.3
179.07019	15.5
191.03796	8.5
191.05560	52.7
205.04993	8.7
223.37143	6.2
228.98544	7.1
309.09708	17.1
315.12320	11.0
330.31204	6.2
346.14120	11.1
361.12711	8.2
361.16623	100.0
362.17059	10.3
367.06747	6.7
372.55438	7.8
406.63519	6.7
419.24289	7.0
483.22617	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	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.0
57.09802	0.2
57.33833	0.1
58.00469	0.3
59.01245	3.2
60.99178	1.4
61.98700	0.4
63.81398	0.2
65.03824	0.5
67.01756	6.0
68.02094	0.3
68.99700	0.2
69.03316	1.5
69.39638	0.6
69.40059	0.9
71.01246	5.4
72.99165	0.3
73.02820	0.6
73.77386	0.2
78.95759	1.2
81.03328	1.4
83.01257	0.3
83.04881	1.4
85.02823	1.4
87.00744	3.6
87.64181	0.2
88.88977	0.2
89.02313	0.7
93.03330	40.6
94.03674	0.7
95.01250	0.5
96.02035	0.2
97.02805	0.2
97.06459	1.1
99.00749	0.5
99.04391	0.5
101.02302	0.8
105.03316	0.3
108.02007	0.3
109.02836	1.1
111.00768	0.9
111.04398	6.6
113.02328	2.0
115.03853	0.3
121.02836	0.3
127.03911	0.4
128.41429	0.2
129.01836	0.5
133.02844	1.9
134.03625	19.2
135.04463	2.5
137.02338	5.7
138.02696	0.3
139.03880	0.4
143.03435	0.3
150.03110	0.2
152.99490	2.0
155.03403	5.3
161.04445	0.3
166.80411	0.2
173.04459	100.0
174.04832	2.9
177.01837	2.3
177.61086	0.2
178.02625	6.7
179.03418	1.3
191.05539	1.1
231.10187	0.8
275.09235	3.0
276.09253	0.2
307.11844	9.5
308.12109	0.6
375.46045	0.2
449.14484	1.8
481.17026	9.2
482.17584	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59065	0.4
52.90811	0.5
57.03320	1.7
58.77229	0.5
59.00946	0.9
59.01247	15.3
60.99175	1.9
61.98706	1.6
67.01759	8.0
69.03325	2.6
69.50173	4.3
71.01248	11.1
71.04899	0.5
73.02827	1.8
78.95745	0.7
81.03323	3.1
83.01252	0.9
83.04884	3.0
85.02818	3.5
87.00753	6.5
89.02312	6.2
93.03333	55.6
94.03673	1.4
95.01292	1.0
95.04913	0.5
97.06452	3.2
98.20511	1.1
99.00737	0.7
99.04388	1.0
101.02330	2.2
105.03369	0.7
107.14775	0.5
109.02834	1.6
111.00758	1.4
111.04397	12.7
113.02328	5.5
121.02845	2.0
127.03865	0.9
129.01826	1.0
131.03401	1.8
133.01837	0.7
133.02846	15.7
134.03625	69.3
135.04445	16.6
136.04738	0.7
137.02339	14.2
138.02541	0.5
139.03912	3.0
143.03407	0.7
149.02507	0.9
149.04462	18.0
150.03084	1.2
152.99437	0.9
155.03412	9.1
162.03136	1.8
173.04463	100.0
174.04840	2.9
177.01854	23.9
178.02625	75.0
179.03384	14.8
180.03743	0.5
187.07582	0.9
191.05490	2.1
213.09030	0.6
224.26846	0.5
227.75092	0.5
231.10219	6.7
263.15198	0.9
275.09244	26.2
276.09576	2.0
307.11841	41.2
308.12048	2.7
348.24808	0.5
449.14087	2.8
481.17093	21.2
481.27344	0.9
482.17517	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85024	0.2
59.01250	100.0
60.01580	1.3
61.56013	0.2
63.57500	0.2
70.35313	0.9
71.01261	0.9
73.02818	0.4
85.02836	0.4
87.04390	7.9
96.95921	0.2
98.19850	0.2
101.02361	0.4
113.02346	0.3
161.04500	0.2
161.74841	0.2
217.15962	0.2
222.08215	0.2
231.17569	0.7
233.15434	0.4
267.43057	0.2
275.16602	0.5
301.61139	0.2
317.21375	0.2
330.25000	0.2
371.03696	0.2
479.26230	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22329	1.8
59.01248	19.9
63.11507	1.7
65.12366	2.0
69.03284	2.1
73.58237	1.8
78.95781	2.5
83.04882	3.5
98.19758	4.7
111.08078	2.5
114.16263	1.7
127.20862	1.6
127.35518	1.8
135.04388	1.8
141.01611	2.1
172.56306	1.8
181.12375	1.8
211.13348	3.2
217.00157	4.1
232.97498	5.2
239.16528	3.4
239.92029	2.1
241.18092	6.5
251.20160	7.0
264.57202	2.0
265.18057	3.3
267.19727	3.9
275.16571	4.9
300.30801	2.0
310.11191	1.7
315.26828	3.1
317.28354	2.9
325.25363	7.8
333.27969	3.1
335.55524	2.1
341.24707	2.2
343.26370	9.5
359.25931	8.2
360.26672	2.4
361.27603	6.1
369.24570	11.3
387.25424	43.8
388.25784	4.8
405.26440	100.0
406.26831	12.7
479.30154	73.4
480.30405	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	479.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09775	1.6
59.01245	16.0
61.95063	1.3
71.01232	1.6
71.04881	2.1
71.58383	2.1
77.05957	1.4
78.95764	1.9
82.33499	1.3
83.04926	1.9
91.48707	1.3
94.22352	1.5
95.44737	1.3
97.06473	1.9
107.08591	1.4
109.06493	2.6
111.08009	2.4
130.62370	1.5
132.18680	1.3
135.08034	2.1
137.09622	2.9
141.01553	3.2
152.99509	2.0
160.29599	1.7
179.14394	1.5
188.98355	1.8
211.13411	3.2
213.14914	3.7
217.00235	5.7
231.17511	2.8
232.97505	6.3
239.16420	5.1
241.18053	2.4
247.13405	2.4
265.18091	2.2
275.16495	5.0
283.61227	1.5
293.21240	1.4
315.26819	5.4
325.25342	9.3
333.28003	3.1
341.24844	5.7
343.26288	8.6
351.23239	3.6
359.25912	11.2
361.27676	3.9
369.24362	11.0
377.26767	2.4
387.25424	37.5
388.25766	3.2
405.26440	100.0
406.26746	11.9
435.30771	1.7
479.30124	70.5
480.30325	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	481.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.3
59.01253	0.8
67.01752	0.2
70.96695	0.5
71.01251	0.6
81.03339	0.9
83.04893	0.9
85.02831	0.4
87.00748	0.5
89.90394	0.2
93.03335	3.0
97.06464	5.2
105.03370	0.7
105.54316	0.2
106.04131	0.6
108.08574	0.2
109.02884	0.3
111.04394	3.3
121.02866	0.2
127.03882	0.3
129.01828	0.3
133.01845	0.3
133.02844	4.4
133.03818	0.4
134.03625	91.7
135.04477	7.4
137.02342	1.7
139.03920	0.5
149.02324	0.2
155.03403	3.6
173.04466	8.2
177.01849	5.8
178.02626	18.6
179.03331	1.6
191.05481	1.2
231.10193	3.3
232.10686	0.2
275.09244	4.6
275.12067	0.4
276.09372	0.5
307.11841	100.0
308.12180	9.3
416.60791	0.2
457.47293	0.2
471.05441	0.2
481.17139	3.4
482.17709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.0
57.03313	5.2
58.00465	3.4
59.01251	100.0
60.22768	1.9
61.98705	4.5
62.52620	1.6
63.32650	1.9
69.03321	6.5
69.60629	5.2
69.61044	9.0
71.01254	46.4
72.99169	17.0
73.02818	4.6
78.33644	1.7
79.05396	3.9
81.03339	2.7
83.01254	4.4
83.04900	6.9
85.02814	12.2
87.00712	9.2
89.02318	43.1
93.03327	9.7
95.01278	3.0
95.04902	5.8
97.02847	4.4
97.06461	7.8
98.19865	3.6
99.04419	12.1
101.02320	26.3
105.77473	1.7
107.04894	2.9
108.02065	2.1
109.02792	3.4
109.06482	2.4
111.00751	2.3
111.04411	4.5
113.02332	20.6
115.03946	1.9
117.72227	1.7
119.03393	19.7
121.05177	2.8
123.04428	5.1
123.08038	5.8
125.02337	3.0
125.05999	6.1
129.01811	4.9
133.02867	2.2
134.03680	2.0
134.06007	3.8
135.04391	4.6
136.07539	2.5
138.05508	3.5
139.03879	3.3
139.07509	2.1
140.57358	2.0
141.05481	3.3
143.03418	3.9
149.04451	9.9
149.09619	2.4
152.01064	2.6
161.02284	2.3
161.04486	4.4
163.11168	2.3
167.03389	4.6
167.07022	6.2
173.04506	11.5
175.03906	2.8
175.09882	1.9
175.11201	11.9
177.01855	2.6
178.05058	4.0
179.03326	4.2
179.05527	9.9
191.05505	16.6
193.04968	3.0
193.12268	4.2
201.09206	2.7
207.10202	9.8
229.08627	4.3
237.11343	3.0
239.10704	4.5
273.07666	2.7
281.10275	2.8
299.11249	10.9
305.10382	3.4
317.12064	2.2
347.24323	7.6
387.16354	12.5
388.17227	2.1
435.21823	2.1
479.17639	34.5
479.24637	10.0
480.17874	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	479.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	4.0
57.46571	1.4
57.83800	1.6
59.01252	12.6
65.00193	2.2
71.01254	6.5
72.82838	1.7
73.02848	1.7
75.00759	6.0
81.03323	2.3
83.01270	6.2
85.02817	3.1
86.31819	1.5
87.00761	2.6
89.02331	6.6
89.15450	1.7
93.03362	6.0
95.01273	6.8
97.52331	1.8
98.19807	3.0
99.00758	2.0
99.04374	2.4
99.76249	1.6
101.02319	4.8
107.01258	6.3
111.04408	2.3
113.02359	3.3
123.00790	3.6
124.01571	9.4
125.02339	32.3
131.03358	2.3
137.02303	3.8
139.03906	2.1
149.02357	2.2
149.04559	3.3
150.08473	1.8
151.00256	18.2
152.01054	11.1
153.01826	5.0
165.01828	2.2
167.03470	3.0
169.01259	3.1
173.04475	5.1
175.00392	1.9
176.01064	2.7
178.99774	23.3
181.01318	2.8
187.03874	2.2
188.04736	3.0
191.05566	9.4
194.02133	2.1
229.05040	2.0
230.05754	7.8
230.07883	1.8
245.08208	7.1
273.07678	4.1
274.04828	9.1
289.07159	100.0
290.07425	8.3
293.08920	1.8
305.10455	2.0
313.07156	23.7
314.07327	2.2
317.06631	38.7
318.06952	3.0
331.08316	8.6
341.05426	1.5
343.08118	5.1
347.13159	1.8
347.16995	6.7
380.24323	1.8
391.09698	2.6
451.12396	27.4
452.12619	3.4
479.11823	8.4
479.21011	2.3
480.12906	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	479.0829
Annotation	Gossypetin 8-glucoside
Peak:m/z	Relative Intensity
57.82590	1.0
59.01251	10.1
59.38418	1.0
65.00196	2.7
68.41347	1.0
69.33378	7.0
69.33816	4.5
71.01257	5.5
72.99192	1.3
73.02817	1.6
80.50771	1.1
83.01250	1.8
85.02808	3.0
89.02317	4.6
89.33041	1.1
93.03371	1.9
95.01258	3.2
97.53189	1.0
99.00778	1.5
101.02322	3.7
107.01266	2.6
109.02836	4.9
109.99984	4.3
111.00704	2.4
113.02326	2.2
120.08076	4.6
123.00751	4.4
124.01569	3.1
125.02335	3.9
136.03957	1.7
136.98744	1.2
137.02368	1.7
137.04782	1.6
137.99434	2.1
138.05525	3.0
139.00273	6.6
140.15421	1.1
142.04601	1.3
146.03619	1.4
148.01599	1.5
149.02357	2.2
149.04445	1.9
151.00255	11.3
152.01106	6.5
153.01801	1.7
154.12831	1.3
158.03630	1.4
159.04422	1.9
161.02411	1.2
163.00288	3.4
164.01028	3.9
165.01857	1.5
165.04221	1.8
165.98996	5.3
166.99757	4.4
167.03458	1.1
167.10628	1.3
169.01320	1.6
171.04446	2.7
172.05180	1.3
173.02432	1.2
173.04425	2.4
173.54327	1.1
174.03108	1.4
177.01918	1.2
178.99757	12.0
182.09656	3.4
183.04448	1.7
187.03888	3.6
189.01910	2.6
191.05542	7.8
198.12778	4.6
199.03922	2.7
199.13496	1.1
200.04692	2.2
201.01903	1.7
201.09044	1.5
202.02515	1.2
203.03482	3.4
206.99275	1.1
208.00204	1.5
211.03769	1.4
213.02020	1.3
214.02611	3.6
215.03401	4.1
216.04166	3.4
217.04932	1.9
218.02202	1.0
225.11246	1.7
226.02727	1.4
227.03476	7.0
229.08690	2.1
231.02852	1.5
241.01317	3.2
242.02092	6.4
242.11777	9.8
243.02974	10.5
244.03554	3.2
255.02972	6.1
259.02444	4.7
267.11282	4.4
270.01715	12.7
271.02475	41.8
272.03156	13.0
273.04047	5.3
285.12445	2.3
287.02026	15.7
288.02646	8.1
288.12436	3.0
297.06393	1.3
298.01102	3.1
299.01941	39.4
300.02148	5.1
311.10458	2.7
315.01526	1.3
316.02206	75.8
317.02930	39.2
318.03433	2.7
329.11441	11.2
331.12836	1.2
343.06308	1.4
347.17041	8.5
435.09366	2.6
461.07159	3.8
461.15451	3.8
479.08258	100.0
479.21237	3.5
480.08633	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	477.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16373	0.6
55.01754	3.5
57.03313	6.0
58.00467	1.4
59.01250	100.0
60.01591	1.2
61.01670	0.6
61.98712	1.8
68.99677	0.5
69.03328	1.4
71.01251	66.1
71.58582	0.6
71.58984	0.9
72.01584	1.2
72.99170	3.1
73.02818	18.7
75.00740	1.3
76.02536	0.6
81.03362	0.8
83.01251	9.1
84.02035	0.6
85.02818	29.1
87.00745	3.9
87.04355	0.7
87.91184	0.5
89.02311	15.1
93.03337	1.8
95.01273	4.2
95.07202	0.6
97.02831	1.8
99.00761	8.3
99.04417	1.3
101.02319	46.1
102.02672	1.6
102.90495	0.6
111.00716	1.1
111.04398	0.6
113.02327	27.6
114.02618	0.8
119.03387	7.9
119.04916	2.0
120.05246	0.8
125.02326	2.5
129.01848	1.9
131.03380	1.3
135.04401	1.8
143.03372	3.6
151.00267	2.2
153.26620	0.6
159.02892	6.0
161.04456	33.1
162.04796	1.2
166.69354	0.6
169.12202	0.7
171.10101	0.8
173.04509	1.6
176.03944	0.9
179.03418	2.0
179.05519	2.6
191.05519	1.9
205.03557	1.6
213.11150	0.6
221.06596	0.9
271.06116	1.5
272.06473	2.6
273.06702	3.0
281.87375	0.8
315.18130	15.1
316.18329	0.8
345.22668	2.2
417.24945	29.1
418.25171	2.8
477.23309	29.6
478.23630	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	478.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.9
69.34205	1.9
69.34626	0.9
72.69990	0.3
73.65738	0.2
78.95773	20.1
89.03730	0.3
89.96767	0.3
90.09555	0.3
96.96814	1.2
113.75301	0.3
140.01094	1.8
152.99484	3.5
162.06714	0.3
171.00534	2.5
177.09108	0.5
177.10571	0.4
196.03751	1.2
214.04782	2.5
217.00290	0.4
225.42332	0.3
240.73563	0.3
251.53641	0.3
280.23792	0.4
281.24838	100.0
282.25180	9.8
478.29361	17.1
479.29837	2.2
487.98044	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53470	0.6
59.01224	1.9
63.83966	0.7
70.15820	3.1
78.95773	78.1
86.66047	0.6
96.96870	4.0
122.00032	0.7
140.01077	5.2
152.99495	12.2
162.06760	1.0
171.00555	12.5
174.09132	0.8
177.09070	1.4
190.63954	0.6
196.03703	9.0
214.04832	2.7
217.00345	0.9
260.95792	0.6
281.24832	100.0
282.25186	11.1
404.25742	0.8
478.29376	64.5
479.29642	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	477.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	7.1
58.00464	5.2
59.01250	98.7
60.00764	3.1
71.01250	74.5
71.57207	4.8
72.99177	47.8
73.02809	7.7
75.00751	22.6
79.69517	3.0
83.01253	6.5
85.02824	26.5
87.00722	10.4
87.04360	3.8
88.98684	3.9
89.02319	63.6
90.01821	15.1
91.00246	100.0
93.03346	4.3
96.95859	3.7
99.00772	5.5
101.02319	28.3
113.02319	23.8
119.03404	17.1
125.05930	3.4
138.06744	4.7
139.07558	7.1
143.03400	5.8
151.07521	9.7
152.08322	5.2
153.09155	15.7
161.04436	10.8
161.05843	3.8
173.04480	4.1
179.05505	14.3
181.05013	3.4
190.04903	3.3
190.06604	3.5
191.05496	14.7
205.12244	6.8
217.62225	3.1
219.10182	9.4
221.11674	3.1
237.11166	4.2
283.39191	3.5
358.18466	4.0
477.23114	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	477.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	5.7
57.03325	6.4
58.00453	1.9
59.01249	87.4
60.01558	1.1
61.32748	1.0
61.98689	2.1
62.81408	1.0
67.01769	1.5
69.03308	1.1
71.01253	100.0
71.58372	1.3
72.01585	2.0
72.99160	4.6
73.02817	28.3
75.00724	2.9
78.95761	1.0
83.00805	1.2
83.01256	15.1
85.02824	44.3
85.13918	1.1
86.03133	1.3
87.00716	4.8
89.02318	25.9
90.02644	1.4
93.03313	3.5
95.01267	7.7
95.04908	1.1
97.02797	3.6
99.00751	12.3
101.02319	69.1
102.02666	1.4
108.49207	1.0
111.00740	3.3
111.04411	1.4
113.02328	50.0
114.02696	1.2
119.03391	7.5
121.02748	1.6
125.02285	3.5
129.01828	2.9
131.03416	2.5
135.04369	2.4
141.01802	1.3
143.03438	6.2
159.02901	10.6
161.02359	1.7
161.04468	41.2
167.03349	4.1
173.04379	3.5
173.43045	1.2
179.03355	2.3
179.05482	2.9
191.05464	3.6
205.03355	1.5
240.94022	1.1
241.40729	1.2
252.04294	1.5
271.02350	3.1
273.20639	2.3
278.56799	1.2
299.01843	5.1
314.04141	3.9
315.04822	2.1
315.08508	1.3
315.18097	22.9
316.18427	2.2
318.33472	1.0
345.22745	6.8
375.27554	1.7
417.24719	4.7
435.25500	2.0
477.10413	2.8
477.23193	62.8
478.23700	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	477.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	6.2
55.65226	1.1
57.03308	4.6
58.00459	2.5
59.01247	87.8
59.16047	0.9
60.01575	1.8
61.01649	1.2
61.98667	1.4
69.03330	1.3
69.28006	4.0
69.28428	7.3
69.57376	0.9
71.01250	100.0
72.99162	2.7
73.02817	30.4
75.00720	1.8
83.01254	17.2
85.02818	44.5
87.00751	7.5
89.02316	24.9
93.03305	1.2
95.01251	8.8
96.95887	1.0
97.02822	4.7
99.00750	14.7
101.02317	81.1
102.02646	1.7
105.58437	1.2
111.00755	2.5
113.02323	46.9
114.02631	1.6
119.03378	9.1
125.02304	3.2
129.01794	3.4
131.03348	3.5
135.04393	1.2
143.03415	5.9
159.02875	11.2
161.04456	48.1
162.04834	1.2
167.03413	5.3
173.04456	2.1
179.05536	2.2
191.05516	2.2
205.03488	2.3
221.06604	3.0
274.67242	1.1
301.07001	1.5
315.18021	24.8
316.18381	3.7
332.43967	1.1
345.22842	3.7
409.46060	1.0
417.24738	2.1
474.34918	1.1
477.23355	76.8
478.23642	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	477.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.7
59.01251	17.9
63.81825	0.4
65.00189	0.5
71.01262	3.4
71.07541	0.7
73.02818	1.6
73.26376	0.3
75.00764	0.5
75.69806	0.3
83.01234	0.9
83.04918	0.5
85.02817	2.2
87.00719	0.5
89.02319	1.8
93.03355	0.7
98.19896	0.4
99.00748	0.5
99.04359	0.9
101.02300	2.3
105.60593	0.3
107.01249	1.3
109.02835	0.5
111.00826	0.4
113.02312	1.8
118.96861	0.4
119.03363	0.8
119.04953	0.5
121.02840	0.4
124.01516	0.4
125.02311	1.0
133.02876	0.5
134.03601	0.4
135.04362	1.0
136.25584	0.4
137.02361	0.6
143.03386	0.5
149.02338	0.7
150.03140	0.5
150.43872	0.5
151.00230	3.4
153.01823	0.4
160.16301	0.3
160.65408	0.4
161.04402	0.5
163.00238	0.6
164.01044	0.4
165.01878	0.5
169.01299	0.7
169.12228	0.6
171.04437	1.0
173.02257	0.4
173.04475	0.9
175.03905	0.9
178.99767	1.6
179.03362	0.7
187.03958	0.9
189.01791	0.5
191.05487	1.5
197.02472	0.4
197.30623	0.4
198.78133	0.3
199.03952	3.4
201.01892	1.7
202.02522	0.4
203.03401	1.8
204.04292	0.6
211.13361	0.6
212.09438	0.5
215.03459	4.6
225.01843	0.7
226.02747	0.9
227.03416	4.2
227.11893	1.6
228.03990	0.7
231.02921	0.6
239.03273	0.4
242.02167	8.8
242.04605	0.5
243.02954	38.9
244.03360	2.9
251.17542	0.3
255.02946	0.9
257.04526	11.5
258.04944	0.8
259.02524	1.9
259.06250	0.5
270.01675	10.4
271.02463	45.2
271.10632	1.0
272.02768	3.4
285.04031	21.2
286.04697	7.5
287.02051	4.7
287.05148	0.6
288.02469	0.5
299.01956	17.1
300.02710	6.0
301.03201	1.3
314.04306	42.4
315.01404	7.6
315.04950	11.6
316.02112	2.5
316.05469	0.7
330.03806	7.7
331.04565	8.8
332.04776	0.8
340.11765	0.4
345.22833	1.7
357.05988	1.2
417.24957	0.7
477.10349	100.0
477.23685	2.9
478.10742	13.1
491.46619	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.14
Annotation	Myrciacitrin III
Peak:m/z	Relative Intensity
50.34477	0.6
57.03302	1.4
59.01249	31.5
60.01577	1.8
61.98690	1.7
65.00179	1.6
67.33929	0.8
70.75085	0.7
71.01240	7.5
72.99152	0.7
73.02804	2.3
76.34171	0.7
78.93232	0.6
85.02818	3.7
88.49856	0.6
89.02303	4.3
93.03348	2.0
95.01257	1.3
97.02830	2.0
101.02308	3.8
107.01270	3.5
108.02056	10.6
113.02338	4.2
120.69387	0.7
121.02851	2.1
123.00770	1.0
123.04380	4.2
134.03625	2.6
135.04402	2.7
136.01541	10.6
149.05974	1.7
161.02341	1.2
161.04448	1.5
163.03877	0.9
164.01056	26.5
165.01836	7.5
173.04468	1.7
174.17091	0.7
176.00981	1.6
176.03940	1.8
178.02574	1.0
179.03407	100.0
180.03757	4.9
187.70705	0.8
191.03410	5.9
191.05476	2.4
193.04967	1.4
196.00061	12.2
196.01678	1.2
210.01579	1.3
230.41499	1.2
255.03000	0.9
271.02484	2.8
285.03928	1.7
287.52457	0.7
299.05615	1.8
299.99600	1.3
300.02753	5.6
300.05862	1.0
315.05145	6.1
315.08676	45.7
316.08899	4.4
345.22763	2.6
380.09583	0.7
417.24881	1.0
461.87311	0.8
477.22656	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1037
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
57.03309	0.7
59.01249	30.4
60.01580	0.6
65.00192	0.7
65.51905	0.5
67.01694	0.4
70.97385	0.8
70.97746	1.2
71.01250	3.9
73.02812	0.9
79.76830	0.4
83.01248	0.7
85.02805	1.4
87.04357	0.5
89.02308	4.9
91.55517	0.4
93.03326	1.0
97.02814	1.1
101.02325	2.8
107.01225	0.5
109.02816	3.5
113.02312	2.0
118.74837	0.4
121.02824	5.6
125.02327	0.5
135.00945	0.6
135.04439	0.8
137.02310	0.6
139.02792	0.4
144.36618	0.5
151.00253	1.2
161.02263	0.7
163.00235	0.7
165.01848	13.5
166.02222	0.7
171.04295	0.7
173.04456	1.0
175.03867	0.5
179.03462	0.9
187.03912	0.5
191.05495	1.5
193.01331	2.9
198.02975	0.6
199.03880	2.8
201.01846	0.8
203.03470	0.9
207.02879	0.5
215.03455	1.7
226.02655	1.8
227.03439	4.0
229.01079	0.5
242.02184	0.7
243.02914	7.9
248.85509	0.5
254.02290	2.5
255.03014	2.6
256.03738	0.7
259.05954	0.6
269.04504	2.7
270.01724	1.3
271.02466	73.6
272.02881	6.4
273.20627	1.0
285.03967	2.5
287.05640	0.9
297.03943	1.1
299.01950	99.6
300.02530	17.7
301.03094	0.7
314.04303	100.0
315.05032	69.7
315.08902	1.2
316.05444	5.3
417.24512	1.6
477.10345	90.8
478.10687	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.5
59.01249	12.7
60.01573	0.8
60.89665	0.4
63.02282	0.4
65.00213	0.3
69.25407	0.4
69.77056	0.3
70.98404	0.9
71.01255	3.1
73.02829	1.0
74.02359	0.4
83.01248	0.8
85.02827	2.1
87.00720	0.5
89.02295	1.0
91.46365	0.4
93.03339	1.0
95.01244	0.4
101.02324	1.6
107.01240	0.7
109.02811	0.5
111.00739	0.4
111.04378	0.5
113.02315	1.0
125.02335	0.6
135.04396	0.8
137.02379	0.5
149.04494	0.4
151.00298	3.5
153.01826	0.7
161.04468	0.8
164.01045	0.5
166.02408	0.3
169.01285	0.6
171.04390	0.8
171.10156	0.4
173.04472	1.3
175.03925	0.5
178.99809	0.7
179.03549	0.5
187.03963	0.4
191.05457	1.4
197.02402	0.4
197.11804	0.5
199.03946	3.9
201.01891	1.7
203.03503	0.8
204.04218	0.6
209.04291	0.4
215.03426	4.2
225.01781	0.5
226.02570	1.0
227.03439	4.4
227.07091	0.5
229.01265	0.8
242.02135	10.8
243.02940	41.0
244.03334	3.2
255.02916	1.1
257.04532	11.1
258.04849	1.1
270.01651	11.6
270.04584	0.6
271.02460	44.5
272.02847	4.2
275.79266	0.4
285.04019	22.0
286.04697	8.2
287.05130	0.7
299.01990	9.2
300.02667	5.9
301.03223	0.9
314.04294	48.0
315.04990	12.1
315.08432	0.5
316.05463	1.0
345.22836	0.7
357.06012	1.0
375.14569	0.5
417.24878	0.7
435.24829	0.4
450.10513	0.4
477.10336	100.0
477.23511	3.5
478.10724	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	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.8
66.16941	0.1
71.01248	0.2
71.21699	0.4
78.95775	10.8
95.07012	0.2
96.96837	0.6
111.67891	0.1
140.01064	2.5
151.22466	0.2
152.99483	1.6
171.00554	1.2
176.29910	0.2
196.03760	1.3
199.21268	0.2
214.04811	2.6
239.20110	2.1
240.20476	3.4
253.09233	0.5
253.55594	0.2
261.22302	0.3
279.23273	100.0
280.23618	9.4
280.28256	0.2
476.27823	11.3
477.28107	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	476.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.7
62.18304	0.2
64.45811	0.2
65.63608	0.2
68.78144	0.2
70.33961	0.8
72.64284	0.2
78.95774	20.5
104.97339	0.2
118.89766	0.2
122.00018	0.8
134.98387	0.3
140.01074	5.5
152.99504	1.6
166.02637	0.2
188.21625	0.2
196.03722	10.5
197.04031	0.3
214.04832	2.7
239.20181	0.2
240.20451	0.5
279.23264	100.0
280.23618	9.5
280.26761	0.4
352.22253	0.2
476.27786	25.8
477.27988	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	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80561	0.2
54.69946	0.3
55.18309	0.3
59.01250	100.0
59.31915	0.3
60.01588	1.2
67.71715	0.4
69.49799	2.0
71.01262	0.7
74.42097	0.3
78.64054	0.3
83.01305	0.3
91.36104	0.3
98.20513	0.7
101.02386	0.6
106.12155	0.3
137.75710	0.3
153.13313	0.3
298.29227	0.4
298.69614	0.4
356.71985	0.4
415.23355	0.6
449.96976	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06780	0.2
59.01250	100.0
60.01585	1.3
70.71946	0.6
71.01250	1.4
73.02831	0.7
85.02842	0.6
89.02328	0.7
95.01298	0.2
101.02334	1.0
113.02362	0.8
119.03441	0.3
161.04520	0.2
173.72511	0.3
187.09723	0.2
259.12006	0.4
373.22366	0.4
415.23654	0.8
433.24591	0.3
475.25601	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64971	0.1
52.88483	0.2
57.03344	0.2
59.01249	100.0
60.01581	1.5
69.03336	0.2
69.85480	0.8
71.01250	2.2
72.01614	0.2
72.16262	0.2
72.99197	0.2
73.02837	1.0
75.00774	0.2
83.01259	0.4
85.02826	1.0
87.00760	0.3
89.02322	1.6
99.00771	0.5
99.92476	1.0
101.02325	1.4
107.88455	0.2
113.02353	1.0
115.91956	2.0
116.92743	6.2
117.92764	0.5
119.03426	0.7
122.42889	0.1
131.03447	0.2
135.04468	0.3
161.02422	0.2
161.04472	0.6
173.04510	0.2
175.68983	0.2
177.90547	0.1
179.05536	0.4
191.05534	0.3
271.19180	0.4
279.57104	0.2
313.07077	0.2
343.21356	0.4
371.08099	0.3
373.22241	0.8
389.09238	0.2
415.23285	1.3
429.87775	0.2
431.10028	0.3
433.24478	0.6
439.11047	0.3
475.09439	0.5
475.24774	1.9
476.25858	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87196	0.3
57.03345	0.4
59.01249	100.0
60.01585	1.7
61.01676	0.5
70.76649	0.7
71.01246	2.6
72.99187	0.3
73.02826	1.0
75.00780	0.4
76.81508	0.3
77.41167	0.3
78.95766	0.5
79.92796	0.3
83.01247	0.7
85.02844	1.4
87.00771	0.3
89.02340	1.4
93.03403	0.3
96.95921	0.9
98.19917	0.3
99.00764	0.4
101.02313	2.1
103.09277	0.4
103.86767	0.3
113.02352	1.4
119.03397	0.5
120.33606	0.3
121.02854	0.4
135.04453	0.3
137.02345	0.3
161.04488	0.8
179.05630	0.3
190.09325	0.3
191.05606	0.5
209.11708	0.4
244.18541	0.3
313.24136	0.4
355.21249	0.7
355.33475	0.4
373.22412	2.6
375.16342	0.3
389.15094	0.4
415.23291	2.7
419.63013	0.4
475.25549	1.1
475.29947	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	60.8
78.95791	15.6
109.99713	6.3
119.41681	7.5
140.63339	7.0
142.93416	7.0
277.21725	17.4
279.23297	100.0
319.39990	10.3
475.25043	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	475.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
61.18131	14.2
68.80338	14.6
69.33602	68.8
69.34035	63.8
71.01260	16.1
72.99184	21.0
82.56286	12.2
87.00790	22.9
91.06254	14.8
96.96804	29.6
115.00248	34.9
133.01314	100.0
136.77496	13.5
275.76337	14.4
299.09003	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	475.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.67859	12.7
71.58451	20.9
78.95773	20.6
85.62752	11.7
87.71538	12.2
93.46217	11.7
93.71420	11.1
132.73582	13.2
217.00142	29.7
218.80403	13.5
219.13075	12.6
277.21622	38.6
279.23212	58.7
326.44873	12.4
386.40799	12.1
414.38333	12.6
424.02036	13.3
503.02258	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	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55309	0.4
55.01757	1.1
56.71974	0.4
57.03328	1.3
58.00458	0.8
59.01249	100.0
60.01593	1.1
61.01679	0.4
61.98695	0.4
63.56210	0.4
69.03325	0.7
71.01253	12.1
71.04876	0.5
71.58503	0.6
72.99194	1.8
73.02821	7.0
83.01257	3.0
85.02825	6.1
86.00026	0.4
87.00748	2.2
88.68695	0.4
89.02325	4.4
95.01240	0.9
96.17324	0.4
99.00771	1.5
99.08028	0.5
99.27041	0.4
101.02313	13.1
104.53009	0.5
113.02316	5.4
113.09604	0.5
119.03394	1.9
125.02317	0.7
131.03386	0.5
143.03410	0.6
149.04474	0.6
158.80911	0.4
161.04460	1.7
167.10579	0.6
173.04466	0.5
185.45316	0.4
186.16844	0.4
191.05455	0.5
211.13412	0.9
235.16876	0.5
253.18089	1.0
255.06624	0.4
271.09753	1.2
271.19113	2.7
301.16626	0.5
301.20145	0.6
307.75842	0.4
313.23593	0.5
331.24908	3.0
388.74350	0.4
397.22009	0.6
415.23245	8.5
416.23724	0.7
433.24402	8.8
434.24759	1.0
457.24118	2.4
475.25388	52.0
476.25751	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	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01587	1.2
71.01260	1.4
73.02830	1.0
83.01224	0.3
85.02863	0.4
85.68039	0.3
89.02332	0.8
101.02325	1.1
104.73762	0.3
113.02337	0.7
119.03377	0.4
144.77470	0.3
149.82265	0.3
161.04500	0.4
223.22722	0.3
263.14124	0.3
304.92188	0.3
399.26154	0.3
415.23578	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1246
Annotation	Naringenin 7-O-beta-D-glucoside 6''-acetate
Peak:m/z	Relative Intensity
57.03328	0.6
59.01250	23.3
60.01564	0.4
61.98697	0.4
63.02269	2.8
65.00189	7.5
69.03315	0.5
69.38985	2.5
71.01254	5.2
72.99166	0.4
73.02819	1.9
83.01254	5.2
85.02836	1.8
87.00787	0.4
89.02301	2.5
91.01752	0.3
93.03330	9.4
95.01284	0.5
97.02843	0.5
99.00780	0.5
99.04390	0.5
101.02321	3.0
107.01270	13.1
108.02106	0.5
108.99290	0.3
109.02834	0.4
113.02317	2.4
119.03435	1.2
119.04913	38.1
120.05261	1.2
121.02839	1.0
125.02328	1.3
131.01250	0.4
131.03427	0.4
133.02913	0.4
134.03581	0.3
135.04405	0.5
136.01540	0.5
137.02367	0.7
139.78159	0.2
145.02858	0.4
149.02325	0.5
149.99452	0.3
151.00267	39.7
152.00621	1.2
159.02969	0.3
161.02336	0.6
161.04436	1.2
161.05820	0.3
164.01068	0.7
165.01849	2.1
165.05385	0.4
169.01358	2.9
171.10196	0.3
173.04466	1.3
175.00275	1.1
175.03926	0.3
177.01845	6.2
178.02214	0.4
179.03461	0.3
179.05522	0.5
185.05972	0.7
187.03912	0.8
191.05547	1.0
193.01337	1.2
209.06097	0.4
227.07106	0.9
227.16611	0.3
232.14784	0.3
247.08177	0.4
253.04993	0.3
253.18178	0.4
257.12793	0.3
271.06110	100.0
272.06458	8.6
272.09436	0.5
295.06219	0.3
297.03827	0.4
297.63794	0.3
313.07239	2.2
343.21225	1.1
353.56717	0.3
415.23395	2.8
420.79413	0.3
433.24496	0.7
475.12399	0.4
475.24124	0.4
475.29373	0.8
476.29434	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.2
59.01250	100.0
60.01585	1.0
69.44291	0.7
69.44724	1.1
71.01257	1.5
71.04905	0.2
73.02836	0.8
85.02841	0.7
89.02346	0.3
99.00706	0.2
101.02334	0.8
102.75451	0.2
113.02315	1.0
119.03401	0.3
137.09637	0.2
157.72650	0.2
161.04559	0.5
161.18797	0.2
173.04607	0.2
178.34985	0.2
191.05482	0.2
209.15529	0.6
329.23331	0.6
353.19409	0.2
371.20834	0.7
413.22116	0.7
414.22217	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33552	0.3
59.01249	100.0
60.01581	1.2
71.01249	3.6
73.02819	4.6
83.01247	1.6
85.02831	0.9
89.02325	1.4
95.01298	0.3
98.19762	0.6
99.84885	0.3
101.02321	5.6
108.16316	0.3
113.02332	1.9
119.03413	0.5
125.02367	0.5
131.03395	0.8
135.04440	0.4
143.03423	0.6
149.04489	1.0
161.04475	2.4
173.04420	0.5
191.05557	0.4
221.06714	0.7
238.70731	0.3
353.19574	0.4
413.21704	0.6
437.84485	0.3
473.28540	0.6
473.90973	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.3
58.12655	0.3
59.01250	100.0
60.01601	0.6
61.98706	0.5
71.01263	1.7
71.50227	0.4
71.50572	0.3
73.02821	0.7
83.01208	0.3
85.02815	0.7
89.02306	0.5
97.69942	0.3
101.02325	0.8
107.58894	0.3
111.52472	0.3
113.02334	0.6
122.42239	0.3
132.46808	0.3
160.84146	0.3
161.04503	0.3
173.08128	0.5
174.99205	0.3
183.07402	0.3
188.04276	0.3
188.92992	0.3
192.61902	0.3
197.13104	0.3
217.00223	2.2
225.11351	0.3
270.71405	0.3
311.22382	0.3
341.19653	0.5
431.26538	0.3
473.06839	0.3
473.24313	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.4
70.80458	0.4
71.01239	0.2
78.95772	34.9
83.04882	0.5
86.79900	0.2
96.96832	2.4
103.30174	0.2
116.01138	0.2
118.25417	0.2
122.00026	0.3
127.43662	0.2
129.95006	0.2
140.01082	3.4
143.47853	0.2
144.06215	0.2
152.99486	5.2
170.99190	0.4
171.00562	5.3
191.54135	0.2
196.03758	1.3
214.04802	4.0
233.22720	0.4
244.85760	0.2
257.95599	0.2
259.20612	0.6
275.20120	0.5
277.21695	100.0
278.22040	9.7
400.22385	0.3
447.88745	0.2
457.26154	0.3
474.26224	23.5
475.26532	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	474.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.9
62.96279	0.2
63.33496	0.1
69.41106	0.5
69.41524	0.7
71.01243	0.3
72.39166	0.1
76.76981	0.1
78.95773	26.4
83.04888	0.2
104.97365	0.2
121.99999	1.2
122.98390	0.2
124.01598	0.2
127.07536	0.3
134.98415	0.4
140.01071	7.4
152.99487	2.1
166.02699	0.3
169.71783	0.1
196.03719	13.6
197.04083	0.3
214.04784	3.0
217.00316	0.3
233.22787	0.3
259.20621	0.6
275.20044	0.4
277.21695	100.0
278.22043	9.4
370.65048	0.2
413.21216	0.2
474.26233	27.5
475.19812	0.2
475.26608	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	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01596	1.2
66.57716	0.3
71.01261	1.3
73.02826	0.8
85.02790	0.4
89.02316	0.6
98.19791	0.8
98.44776	0.3
101.02337	1.1
113.02331	0.9
161.04472	0.4
166.66855	0.3
172.14880	0.3
186.32321	0.3
423.81207	0.3
431.22482	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22241	0.2
59.01249	100.0
60.01588	0.9
60.40528	0.3
71.01271	1.3
73.02821	2.0
77.06686	0.2
82.19564	0.2
83.32433	0.2
85.02831	0.3
85.19098	0.3
89.02320	0.6
99.04362	0.3
101.02325	1.8
102.85931	0.2
113.02318	0.6
120.45816	0.2
128.75140	0.2
161.04498	0.5
207.13951	0.3
225.41957	0.3
251.12949	1.0
271.50510	0.2
354.02795	0.3
399.30560	0.3
416.18622	0.3
464.66547	0.3
473.23975	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54825	0.5
55.01763	0.7
59.01248	100.0
60.01583	1.4
71.01259	4.7
71.12347	1.3
73.02811	3.4
83.01262	1.2
83.04886	4.7
85.02834	1.8
87.00804	0.6
89.02339	1.8
89.70121	0.6
99.00740	0.9
101.02322	5.0
109.97496	0.5
113.02357	2.3
115.82345	0.5
119.03410	2.0
121.25680	0.5
135.04480	0.7
161.04475	1.4
173.04550	0.9
191.05576	0.9
200.89163	0.6
224.81273	0.6
326.35352	0.6
341.19943	0.8
378.11560	0.6
413.21643	0.8
446.66428	0.7
473.22314	0.8
473.28122	1.3
480.10986	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01596	1.1
63.31588	0.8
71.01249	8.9
73.02819	8.0
76.70869	0.8
81.94601	0.6
83.01264	2.6
83.04870	0.7
85.02821	1.6
89.02324	3.9
93.03309	0.7
95.01286	0.7
98.19784	3.1
101.02325	8.4
113.02328	5.2
119.03414	2.1
125.02319	0.7
131.03387	0.8
158.13179	0.8
161.04497	2.4
173.04529	1.1
191.05611	1.2
209.95537	0.8
269.17511	1.7
285.55234	0.7
297.63046	0.8
341.19809	0.9
413.21643	1.7
429.18274	0.9
473.14093	0.9
473.23694	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	473.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.0
58.00465	0.7
59.01248	100.0
60.01596	0.5
65.00195	1.0
69.33891	4.9
69.34192	0.7
71.01252	12.3
72.99178	0.9
73.02813	6.0
78.50939	0.6
78.95745	0.7
79.14957	0.5
83.01273	2.3
83.04931	0.7
83.15857	0.5
85.02814	4.1
85.39867	0.6
87.00747	1.2
89.02318	5.7
93.03343	1.8
95.01264	0.8
95.04937	0.7
96.96841	1.1
97.02813	0.7
97.06507	0.7
99.00754	1.1
99.04419	1.3
101.02314	7.5
107.01276	1.3
109.02878	0.5
113.02326	6.5
119.03422	1.8
121.02806	0.7
125.02327	4.8
131.03404	1.0
133.02930	0.6
135.04442	1.5
137.02368	2.0
137.29681	0.6
139.00293	1.3
141.01852	2.4
144.02937	1.0
149.02423	0.9
149.05984	0.9
151.00256	4.7
161.02361	0.8
161.04486	3.2
164.01077	1.1
164.12766	0.5
165.01860	1.6
169.01324	0.8
173.04469	2.2
175.00333	2.0
177.01793	0.7
177.52873	0.6
179.03447	4.1
179.05537	1.6
181.01363	1.1
191.03850	0.6
191.05466	2.9
197.04527	0.9
203.03578	0.6
225.04054	1.9
227.10367	1.4
245.11447	2.6
293.38013	0.7
398.91211	0.6
413.21976	3.5
429.10556	2.7
431.15543	0.6
431.22864	1.3
473.25241	0.7
481.38986	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3477
Annotation	Hispidone
Peak:m/z	Relative Intensity
59.01243	2.4
69.51159	1.1
69.51555	4.2
81.92896	0.5
86.78436	0.6
120.78703	0.5
136.65221	0.5
141.45975	0.5
228.21069	0.6
242.11385	0.7
282.83466	0.6
305.92984	0.6
423.32877	1.0
428.04034	0.8
453.33740	2.6
471.34781	100.0
472.35114	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	473.13
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85741	1.2
53.63972	1.2
57.05119	1.2
59.01243	4.1
59.14045	1.4
68.28281	1.2
70.33277	5.6
71.01270	3.1
73.02828	1.2
84.09484	1.1
89.02309	9.5
91.29090	1.2
97.87244	1.4
98.19922	1.6
123.04422	1.2
127.82157	1.2
128.03378	1.8
131.03374	2.6
133.02815	4.5
134.03627	3.3
135.04410	100.0
136.04774	3.4
136.39684	1.5
139.98755	1.2
149.04466	28.5
160.01587	1.7
161.02341	21.9
168.37975	1.1
179.03416	74.7
180.03766	4.0
191.05516	2.1
278.96121	1.5
323.07684	15.5
341.04938	2.3
341.08743	30.4
342.09085	3.5
473.13000	15.6
474.13705	2.1
474.38055	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00723	0.5
55.98349	0.5
58.81515	0.6
59.01258	4.6
66.93802	0.5
68.48275	0.5
71.01249	3.2
71.57602	0.9
73.02815	2.7
78.93951	0.5
87.00767	1.3
88.03923	0.8
89.02324	17.5
93.03361	0.6
103.03907	1.2
107.04935	0.8
112.55283	0.5
117.03367	1.2
125.58416	0.7
131.03412	5.1
132.02080	1.6
133.02861	5.0
134.03618	1.6
135.04417	100.0
136.04736	4.1
140.07423	0.6
149.04462	35.0
150.04771	1.0
151.03876	0.5
153.34901	0.6
155.17542	0.5
158.51587	0.6
160.01567	2.0
161.02356	28.4
162.02731	1.5
179.03421	91.3
180.03781	4.3
191.05544	1.7
195.29503	0.5
311.07748	2.4
323.07690	14.2
324.07996	1.6
341.08765	39.6
342.09103	3.6
473.12912	11.5
473.24124	1.0
474.13577	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.4
58.00465	0.3
59.01249	100.0
60.01587	1.0
61.98717	0.5
69.03336	0.4
69.63799	1.8
71.01252	6.4
72.99188	0.5
73.02816	4.5
83.01247	1.6
83.04905	0.9
85.02808	1.5
87.00773	0.5
89.02316	2.1
93.03352	0.6
93.14732	0.3
93.50853	0.3
95.01249	0.4
99.00755	0.3
99.04391	4.6
99.04984	0.4
101.02320	6.3
106.06516	3.1
107.06865	0.7
110.85324	0.3
113.02319	3.0
119.03393	1.0
119.04913	0.6
123.04460	0.4
125.02352	0.6
130.08673	0.5
131.03407	0.5
133.04979	0.4
135.04399	0.4
137.02386	0.3
137.09645	0.7
143.03421	0.8
145.02843	0.4
149.04494	0.8
149.09734	0.4
150.05519	2.5
151.05898	0.5
161.04466	2.0
163.03999	0.6
164.07095	0.5
168.41707	0.3
173.04568	0.7
179.03404	0.4
179.05589	0.3
179.10681	0.4
191.05583	0.7
194.04572	0.6
200.00789	0.3
205.12305	0.6
205.15921	0.4
247.41650	0.3
249.11353	0.7
249.14876	0.5
267.15961	1.2
309.13538	0.3
345.82336	0.2
374.06082	0.4
411.20529	0.6
429.21259	0.8
444.73737	0.3
471.07443	0.3
471.13547	0.6
471.22372	3.8
472.23584	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22947	0.9
57.03310	2.6
58.00462	1.8
59.01252	23.2
68.18237	1.1
69.03294	1.1
71.00894	1.3
71.01256	20.1
71.50070	1.7
72.99201	1.1
73.02808	2.7
75.81812	0.9
83.01253	1.6
83.21650	1.1
85.02825	6.5
87.00769	1.3
89.02318	9.2
90.90558	0.9
93.95991	1.0
95.01223	1.2
97.06462	1.3
99.00745	3.4
101.02323	7.2
104.32278	1.0
109.06431	1.1
113.02328	5.1
119.03374	3.4
121.02836	1.3
125.09609	1.2
126.75090	1.0
126.88844	1.1
137.09688	1.0
151.11188	4.9
153.09085	0.9
169.12299	1.4
171.10216	1.4
197.11710	9.1
199.13292	3.7
199.33171	1.0
211.13338	37.9
212.13675	1.5
236.14839	1.0
263.20154	1.3
273.18579	2.1
291.19647	38.2
292.19983	3.4
309.20758	7.0
311.04031	1.1
361.18762	1.6
471.25949	100.0
472.26355	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	471.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.4
59.01250	100.0
60.01591	0.6
69.03331	1.2
71.01251	5.6
71.58521	0.9
73.02814	3.6
78.95776	0.8
83.01274	1.1
83.04920	1.0
85.02842	1.6
89.02336	2.1
93.03340	0.8
99.04403	1.2
101.02332	3.5
111.78326	0.6
113.02348	2.2
116.34553	0.6
131.03447	0.6
133.02875	0.9
135.04439	0.7
152.99524	0.6
153.09074	3.0
161.04486	1.1
173.04457	1.0
179.10713	6.9
187.14894	1.0
190.84277	0.7
191.05611	0.8
200.00937	1.5
203.05298	0.6
211.55742	0.6
246.44916	0.6
249.15062	1.6
267.15988	43.9
268.16370	2.8
270.22910	0.6
292.65195	0.6
309.17368	0.6
329.29065	0.6
339.18201	0.7
373.00168	0.7
374.06506	1.7
400.01895	0.7
429.21313	1.1
471.21884	8.0
472.22568	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	471.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.4
59.01249	100.0
60.01580	1.2
61.17968	0.2
71.01252	4.8
71.35830	0.2
73.02814	11.6
83.01254	2.8
85.02818	0.5
89.02332	0.9
101.02318	8.4
106.10274	0.2
108.02040	0.3
113.02327	1.8
119.03318	0.4
131.03452	0.5
143.03419	0.8
149.04469	0.8
161.04454	1.9
162.46085	0.2
165.12743	1.1
173.04472	0.4
191.05524	0.4
207.13853	2.2
219.13922	0.4
221.06679	0.7
221.15483	0.7
231.13953	0.4
249.14981	0.8
374.06586	0.3
442.82855	0.2
455.74539	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75655	0.3
59.01250	100.0
60.01575	0.7
65.90507	0.3
71.01261	2.8
71.58246	0.3
73.02828	1.7
76.30947	0.3
83.01265	0.6
84.22521	0.3
85.02830	0.6
89.02336	0.5
99.00774	0.4
99.04446	0.4
101.02319	2.8
113.02331	1.6
119.03395	0.5
131.03395	0.4
154.74254	0.3
161.04485	0.6
183.77843	0.3
191.05505	0.3
214.70357	0.3
217.00313	0.3
429.24930	0.4
471.26031	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.3
58.94529	0.2
59.01249	100.0
60.01580	1.2
61.98727	0.3
69.03328	1.1
71.01248	4.5
71.04909	0.2
71.58157	0.3
71.58502	0.3
72.99215	0.3
73.02815	4.3
74.91731	0.2
80.46597	0.2
81.03345	0.2
83.01230	1.2
83.04914	0.4
83.50945	0.2
85.02815	2.2
87.00755	0.4
89.02316	1.3
93.03362	0.6
95.01261	0.4
99.04396	0.4
101.02319	4.5
101.10720	0.2
107.04881	0.2
113.02328	4.8
116.12540	0.2
119.03409	0.6
120.91056	0.2
123.04452	0.3
125.02293	0.5
131.03416	0.4
133.02850	0.7
135.04399	0.4
137.02324	0.4
143.03419	0.5
149.04504	0.3
161.02419	0.3
161.04446	1.0
163.03879	0.3
165.05510	0.4
173.04483	0.6
179.03444	0.3
191.05524	2.3
191.48320	0.2
200.00880	0.6
205.12294	0.4
214.83672	0.2
223.07838	0.2
223.13341	0.6
239.26480	0.2
249.14952	0.3
251.16560	1.0
267.12418	0.7
267.16147	0.3
279.06528	0.3
329.71973	0.3
374.06174	0.7
401.65591	0.2
429.21106	1.7
471.22388	11.6
472.22632	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37088	0.3
54.39010	0.3
59.01249	100.0
60.01593	0.9
61.40095	0.3
61.98698	0.4
65.53865	0.4
71.01255	3.3
71.29713	0.5
73.02831	1.4
78.24245	0.3
83.01270	0.8
85.02831	0.9
89.02304	1.7
99.00755	0.5
99.04379	0.6
101.02321	1.9
113.02338	1.8
119.03412	0.7
121.02837	3.7
126.48549	0.3
135.04382	0.5
137.02409	0.3
143.03435	0.3
161.02425	0.4
161.04518	0.5
173.04439	0.7
179.03374	0.4
179.05673	0.5
191.05603	0.9
291.19794	0.8
315.47351	0.3
315.86514	0.3
329.74463	0.3
374.06326	0.7
390.31149	0.3
460.31622	0.3
471.26465	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21319	0.8
55.01755	3.1
57.03320	2.8
58.00469	1.9
59.01251	65.4
61.98688	1.1
63.31574	0.7
69.03323	1.2
69.84845	1.1
69.85253	4.0
71.01254	35.5
72.01566	0.8
72.99180	1.4
73.02819	15.9
81.03316	1.2
81.18311	0.8
83.01252	14.7
83.04889	1.1
85.02824	22.0
87.00757	3.7
89.02313	6.1
93.03337	5.3
95.01264	2.4
96.95898	0.9
97.02847	2.3
99.00759	5.7
101.02322	44.7
103.03884	1.3
105.03188	0.8
106.11393	0.8
106.82140	0.9
111.04391	1.0
113.02332	15.9
113.51482	0.9
121.02818	0.9
123.04386	1.6
125.02325	1.9
133.02800	1.6
134.03685	6.7
135.04521	4.5
136.04723	0.8
137.02324	1.7
143.03447	0.9
145.05028	1.6
159.02884	2.5
161.02319	1.4
161.04468	11.3
163.06030	1.8
171.10397	1.0
173.04463	4.3
174.04787	1.4
176.04019	0.9
177.01857	2.1
178.02583	4.6
179.03239	1.5
180.03139	1.0
191.05571	2.4
207.03027	1.7
223.06149	1.1
263.14978	86.5
264.15347	5.1
275.09235	1.5
276.09418	0.9
277.10007	1.3
293.10330	2.5
294.10617	1.7
295.10782	4.6
409.20755	100.0
410.21182	9.5
466.98807	0.8
469.15881	2.5
469.21466	1.6
469.33838	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64030	0.7
54.38537	1.0
54.66435	0.8
54.97563	0.9
57.03325	0.9
59.01249	100.0
61.98695	0.7
69.43708	7.0
71.01253	8.8
78.95779	3.1
85.02854	2.1
87.00777	1.0
89.02299	8.6
89.02738	0.8
89.75797	0.8
91.88733	0.8
93.03340	1.1
96.95892	5.3
96.96846	2.2
101.02332	3.6
101.39823	0.8
107.92867	0.9
113.02351	2.1
119.03387	6.1
125.02324	1.8
143.03375	1.4
161.04514	1.8
173.04448	1.8
179.05573	3.5
191.05530	11.0
192.99525	1.3
213.12662	0.8
215.58128	0.8
233.04347	0.8
385.05774	1.3
405.21289	2.7
465.23349	1.5
492.12463	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3219
Annotation	Varanic acid
Peak:m/z	Relative Intensity
57.03310	0.7
59.01246	2.0
61.05991	0.7
65.03828	1.9
67.99626	0.6
71.13956	1.5
81.03324	2.5
82.11172	0.6
83.04895	4.0
85.06462	16.2
86.06847	0.7
87.97428	0.7
92.14202	0.6
93.03307	1.8
95.04890	4.4
97.06471	3.9
111.08063	1.6
116.92780	0.7
120.36002	0.8
139.03880	1.5
183.85605	0.7
210.61354	0.7
279.27109	1.2
281.24860	2.4
283.26468	4.1
321.27881	5.4
357.31790	1.1
359.33047	1.2
363.62396	0.9
377.34225	25.2
378.34695	2.9
421.33215	100.0
422.33600	13.7
429.73004	0.8
465.16068	0.8
465.32190	12.1
466.32568	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38303	1.9
55.91834	1.9
57.03323	55.2
58.00475	2.3
59.01252	36.7
69.03333	1.8
70.90344	4.1
71.01260	16.3
72.99162	2.2
73.02819	3.1
81.03329	2.7
83.04920	3.6
85.02817	5.9
87.00748	3.6
89.02332	4.9
93.03331	18.1
97.06452	2.4
99.04394	25.3
101.02326	16.2
109.02844	4.6
111.04395	6.5
125.02328	8.0
130.50595	1.9
133.02869	4.0
134.03629	70.2
135.04443	19.2
136.01517	3.0
136.04819	1.9
137.02341	4.5
145.07626	6.2
151.03951	2.2
155.03340	4.4
160.06366	23.4
161.04462	8.1
161.07121	71.9
162.07469	3.2
172.06285	1.8
173.04465	37.6
173.05827	3.7
173.07121	1.9
173.10785	2.6
174.06784	3.4
175.08690	49.2
176.08984	3.9
177.01833	3.1
178.02612	16.3
178.67546	2.0
179.03358	4.1
186.76534	1.9
187.07289	2.1
187.08728	5.8
189.06621	95.2
190.06938	4.7
191.05534	32.6
192.05809	1.9
201.05669	2.2
201.10263	7.7
203.08206	39.6
203.12024	9.0
213.09210	3.9
215.07005	1.9
229.09822	26.3
231.10201	6.4
257.08331	3.2
275.09253	11.5
277.11743	2.6
293.10306	66.3
294.10672	4.5
305.11435	73.1
306.11670	7.1
323.12473	100.0
324.12863	8.2
365.13525	11.7
386.01682	2.5
449.14371	4.7
467.15692	12.1
478.41980	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	465.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19521	0.4
59.01248	32.9
60.01587	0.5
61.30158	0.4
61.98706	0.7
62.96290	0.6
67.16447	0.3
70.07787	0.9
70.08202	1.5
71.01258	1.3
71.02286	0.4
71.90577	0.4
72.99176	0.4
73.02821	0.5
78.95772	100.0
82.41901	0.4
85.02829	0.9
87.04385	1.1
89.02312	0.6
93.03344	0.6
96.95905	4.3
96.96832	9.5
101.02341	1.1
114.06440	0.4
125.02306	0.5
150.97919	1.7
152.99484	94.2
153.99823	1.5
171.00569	4.2
173.04486	1.2
179.03421	0.6
191.05573	0.6
213.14963	0.9
263.83029	0.4
267.19675	1.7
275.16489	0.5
304.89050	0.4
311.18756	0.7
357.33054	0.4
447.17856	2.7
459.05704	0.4
465.18958	25.9
466.19101	2.3
466.29370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63557	3.6
59.01248	59.5
67.01770	4.7
67.98506	3.9
69.03323	3.8
71.01250	24.6
72.99150	4.7
73.02821	9.2
74.77875	5.1
75.00758	7.2
81.03321	4.7
83.01251	6.1
85.02820	18.0
87.00762	5.2
89.02301	15.1
93.03337	26.0
95.01278	5.9
95.28938	4.0
97.02829	10.9
101.02318	15.0
108.02034	10.0
109.02827	15.9
110.05083	4.7
110.73026	4.0
111.04384	11.3
119.03408	3.6
119.04911	6.3
120.78613	3.9
121.02835	51.8
121.05180	6.2
122.03637	26.8
122.06017	29.2
123.00687	6.4
123.04393	17.3
124.01516	8.1
125.02325	10.0
131.04967	4.1
132.12036	4.4
133.02849	5.4
133.06487	15.3
134.03604	7.1
135.04388	24.7
136.05269	6.3
136.07567	24.9
137.02359	25.3
138.03017	7.3
140.00908	4.2
146.03612	19.1
147.04419	17.6
148.05174	4.0
149.02338	5.1
149.04460	7.0
149.05840	4.9
150.03116	11.1
151.03867	8.2
153.01776	11.9
154.02628	8.2
159.04414	9.6
161.02347	5.1
161.04521	5.9
161.05957	13.7
162.03032	3.9
163.03902	9.6
164.04703	12.8
165.05495	47.8
171.10204	4.3
173.04518	30.9
173.05902	7.7
175.03935	5.8
177.05495	10.8
179.03383	14.0
179.07033	48.5
189.05467	5.5
191.05542	33.4
197.82602	4.4
198.09358	4.6
207.06479	4.8
208.07329	4.6
209.11807	6.7
210.12083	8.7
229.08691	4.8
249.11548	4.6
257.12943	60.2
273.07822	5.8
291.08768	13.3
301.11835	7.7
302.03534	5.8
303.04099	4.5
315.12445	4.8
329.13815	5.2
333.19064	4.3
346.14191	8.1
347.14917	19.5
361.16556	100.0
362.16562	11.4
392.14554	7.9
393.15652	18.9
465.08997	8.4
465.27139	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	463.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	6.5
78.95779	1.7
98.20539	1.9
105.03337	2.8
123.68596	0.8
132.02065	8.2
133.02872	15.2
134.03648	14.5
135.04411	5.4
137.02357	2.2
139.03920	1.1
148.05238	0.9
149.05951	1.7
152.99474	0.9
160.01575	46.9
161.02321	10.7
161.05984	1.0
162.02748	1.1
165.63544	0.9
166.01218	0.8
175.03922	100.0
176.04279	5.3
178.02629	1.8
179.03439	1.9
184.88150	0.8
193.05002	7.2
217.00226	9.5
218.00487	0.9
239.93997	0.7
251.27731	0.8
271.02090	0.9
287.22302	15.1
288.22635	1.0
289.14368	1.9
299.00772	1.4
299.16174	4.5
300.02823	1.8
312.89691	0.8
319.15402	0.9
361.20059	2.1
363.25354	1.3
381.16739	1.0
387.25375	2.5
431.24506	5.3
451.92831	0.9
463.27014	68.2
464.27307	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	464.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95466	0.9
59.01250	33.7
60.01599	1.0
61.98701	100.0
69.53778	4.7
69.54183	1.6
71.01237	4.3
73.02843	1.4
75.41160	0.8
78.95782	10.4
85.02841	1.1
89.02321	1.6
97.84215	0.9
101.02338	2.5
105.04495	1.1
105.06870	0.8
113.02322	2.9
125.02283	1.1
133.63094	0.9
152.46025	0.8
152.99507	4.7
161.04420	1.2
164.88612	0.8
214.36259	0.8
315.18057	1.6
465.19055	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	465.1052
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03333	7.4
59.01256	2.2
63.02237	1.3
64.65179	1.3
65.00190	3.1
71.58054	1.5
81.47585	1.3
83.01254	5.6
85.02813	1.5
93.03332	4.0
96.95885	5.3
105.07081	1.2
107.01266	9.0
107.18277	1.3
109.02830	6.0
121.02788	2.8
123.04395	5.4
124.01550	2.3
125.02335	100.0
126.02685	1.9
131.01309	1.3
137.02345	5.6
139.03885	4.6
147.52383	1.3
149.02345	12.3
150.03133	1.7
151.00276	27.2
151.03894	3.0
152.00923	1.9
153.01830	27.4
167.03387	2.3
169.01312	3.3
171.04474	1.3
171.16095	1.6
173.04544	2.4
174.03127	2.9
175.00282	5.1
175.03893	9.9
177.01846	18.3
178.99765	21.2
179.03427	1.8
181.01343	13.3
188.04730	3.0
189.05449	5.2
191.03452	3.0
191.05522	8.0
192.99612	1.6
199.03896	6.5
201.01787	2.3
216.04228	1.4
217.05020	5.5
240.04272	1.5
241.04930	5.0
259.06158	3.7
275.05606	21.6
285.04034	45.5
286.04315	4.4
299.05652	7.3
303.05106	73.5
303.08444	3.8
304.05383	6.0
341.05072	6.7
343.06729	5.2
447.09128	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02692	0.4
59.01255	2.9
59.98421	0.4
71.01273	0.4
71.58064	0.5
77.04760	0.4
78.95786	1.3
79.31419	0.4
95.04936	0.7
96.95885	0.5
105.03336	3.1
113.09615	0.5
117.03345	0.6
127.11175	0.5
130.24243	0.4
132.01131	0.8
132.02066	7.6
133.02856	16.1
134.03627	12.5
135.04425	4.0
137.02325	2.5
139.03952	0.6
148.05179	1.0
148.99982	4.4
149.06006	1.0
150.03087	0.5
152.99522	0.6
160.01572	44.6
161.02350	8.9
161.05965	1.4
162.02769	0.6
169.37889	0.4
171.09949	0.4
175.03920	100.0
176.04289	4.1
177.01805	0.6
178.02666	1.2
179.03427	2.5
193.04997	6.7
194.02127	0.4
194.05524	0.4
194.98802	14.7
217.00243	5.1
247.09666	0.5
264.47021	0.4
275.12909	0.5
287.22299	14.8
288.22656	1.4
289.14465	2.0
295.22855	1.2
299.00986	0.5
300.02777	0.4
319.15436	1.2
347.18851	0.6
361.20218	0.9
363.25452	1.3
379.83582	0.5
387.25519	1.2
431.24445	5.3
445.26096	0.5
463.11407	8.4
463.27008	65.5
464.11380	1.5
464.27298	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	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.1
57.03313	2.2
58.00461	4.8
59.01248	93.9
60.01575	0.7
67.01757	0.7
69.03321	2.6
69.93705	1.6
69.94109	1.4
71.01250	79.4
72.01598	1.2
72.99178	4.7
73.02811	22.1
74.02350	1.8
74.45797	0.6
75.00754	2.2
78.67083	0.5
81.03357	0.8
81.80594	0.6
83.01250	5.6
85.02825	16.9
86.03130	0.6
87.00748	3.7
89.02312	100.0
90.02642	1.6
93.03318	1.7
95.01253	4.1
97.02817	2.2
99.00755	31.3
99.04437	1.3
101.02319	53.5
102.02641	0.7
111.00768	1.3
113.02328	22.5
115.03880	2.3
116.03405	1.6
119.03383	15.2
125.02339	5.9
127.03915	0.7
131.02455	1.1
131.03400	19.3
132.03616	0.8
135.04396	1.1
142.24586	0.6
143.03387	3.1
149.04449	57.5
150.04799	1.7
151.00252	1.1
159.02913	0.8
161.04454	6.6
166.15576	0.7
166.31633	0.7
168.22734	0.7
173.04492	2.3
179.03346	1.3
179.05557	5.3
191.05521	19.6
192.05942	0.7
209.11742	0.9
221.06546	2.2
233.06609	2.1
243.03036	0.7
251.07733	4.0
255.02907	1.3
271.02460	3.7
275.07632	0.8
293.08765	1.6
300.02728	5.0
301.03513	2.7
321.70673	0.6
331.17548	4.3
397.55524	0.5
420.25906	0.9
463.08719	2.9
463.21835	43.0
464.22260	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.4
56.79254	0.3
57.03338	0.6
58.00490	0.4
59.01250	21.0
60.01603	0.7
60.11790	0.3
61.01694	0.4
68.99669	0.3
69.03378	0.4
70.09875	0.3
71.01252	6.8
71.04919	0.3
71.06733	0.8
71.07062	0.3
72.99196	0.7
73.02814	2.3
83.01283	1.1
85.02810	1.9
87.00748	0.5
89.02307	3.1
93.03355	0.6
95.01305	0.8
96.20092	0.3
97.02837	0.5
99.00780	0.7
101.02318	5.1
101.02903	0.4
103.03947	0.3
109.02779	0.4
111.08055	0.5
113.02321	2.6
119.03421	1.0
123.04416	0.3
125.02379	0.7
143.30643	0.4
149.02377	0.3
161.02364	0.4
161.04482	1.6
165.12758	9.3
173.04443	0.9
177.02104	0.4
183.13820	100.0
184.14153	5.7
191.05531	1.2
199.13200	0.4
209.11792	1.9
227.12836	10.9
228.13158	0.6
235.08109	1.3
243.03119	0.4
253.09309	5.5
255.02773	0.4
259.19086	0.5
271.02451	1.9
300.02783	2.1
301.03326	1.1
313.73428	0.4
318.26328	0.4
337.84167	0.4
403.23126	1.0
406.33423	0.3
421.23941	1.3
445.20441	0.6
453.88910	0.5
463.08127	1.2
463.21500	57.3
464.21735	6.8
464.31320	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78581	0.3
54.59181	0.2
55.01756	0.4
57.03324	0.5
58.00463	0.5
59.01248	11.8
69.54001	1.9
70.24181	0.3
71.01250	6.5
71.54913	0.2
72.99183	0.5
73.02830	1.9
83.01267	0.7
83.04936	0.3
85.02818	2.1
87.00758	0.8
89.02314	5.5
93.03349	0.3
95.01251	0.6
97.06464	0.3
98.19787	0.5
99.00740	0.5
101.02319	6.5
111.04417	0.3
111.08046	0.6
113.02335	3.0
119.03358	1.5
131.03383	0.4
133.05005	0.5
143.03394	0.5
161.02412	0.3
161.04488	1.8
165.12750	8.2
173.04486	0.4
179.05545	0.6
183.13820	100.0
184.14153	4.9
209.11835	1.8
227.12825	8.9
228.13156	0.8
235.08218	1.4
253.09258	8.0
254.09743	0.3
259.19199	0.3
301.16577	0.3
301.19855	0.3
310.96341	0.3
344.53442	0.3
397.23886	0.2
445.20609	0.9
463.21771	59.1
464.22037	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.3
57.00424	0.2
57.03306	0.3
58.00458	0.7
59.01250	21.8
60.01591	0.2
63.02263	0.8
65.00195	1.4
66.01532	0.2
70.98133	0.5
71.01254	17.5
71.50382	0.2
72.99171	0.9
73.02815	4.2
74.02345	0.3
83.01244	1.8
85.02824	2.6
87.00743	0.8
88.70439	0.2
89.02315	27.1
90.02676	0.5
91.01743	0.3
93.03333	0.7
95.01293	0.5
96.95857	0.3
97.02825	0.3
99.00761	7.4
101.02321	11.3
102.02641	0.3
107.01272	2.9
108.02074	1.7
109.02839	1.7
113.02324	3.7
115.03879	0.3
119.03404	3.1
121.02846	2.9
123.00716	0.3
123.04401	0.2
124.01503	0.3
125.02318	1.8
130.37521	0.2
131.03397	5.0
135.00800	0.9
135.04350	0.4
137.05957	0.3
139.03825	0.3
143.03407	0.7
148.01534	1.6
149.02351	0.8
149.04457	17.8
150.04773	0.4
151.00270	11.6
152.00870	0.4
153.01768	0.4
159.04349	0.3
161.02344	0.5
161.04454	1.2
163.00253	3.3
163.03946	0.3
164.01048	0.8
165.01782	0.2
167.03313	0.2
169.01376	1.2
171.04390	0.3
172.05313	0.2
173.04474	1.0
173.05807	0.3
174.03114	0.4
175.03912	0.4
178.99788	5.4
179.03386	0.4
179.05492	1.0
180.00133	0.5
183.04454	0.7
185.06042	0.4
187.03915	0.5
188.04710	0.2
190.99814	0.4
191.05539	6.7
192.00523	0.4
192.05858	0.3
198.03156	0.4
199.03882	1.2
200.04567	0.2
201.01982	0.4
201.05394	0.7
201.09167	0.2
203.03387	0.3
209.11775	0.3
211.03954	1.3
215.03426	1.0
216.04134	0.9
221.06621	0.6
225.05293	0.3
226.02676	2.4
226.67255	0.2
227.03442	3.8
228.03973	0.7
229.01463	0.5
229.04991	0.8
239.03677	0.3
243.02954	12.3
244.03284	1.3
245.04425	1.4
245.08131	0.5
251.07649	1.2
254.02155	2.8
255.02951	28.4
256.03320	2.1
257.04572	0.4
257.12842	0.3
259.09763	0.7
262.31470	0.2
264.74060	0.2
271.02463	68.5
272.02884	8.1
273.03897	1.1
283.02408	1.1
283.10904	0.7
289.07236	0.4
299.01923	1.9
300.02725	100.0
301.03436	48.8
302.03867	3.8
316.02176	0.3
317.02924	0.2
331.17648	0.5
343.04541	0.4
372.92459	0.2
443.98010	0.2
463.08795	69.6
463.21753	7.7
464.09082	10.2
464.15930	0.3
464.22055	1.2
484.85870	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.4
57.03321	0.6
58.00471	0.3
58.59152	0.3
59.01248	13.0
69.03300	0.7
69.61042	0.9
69.61464	1.0
71.01247	7.4
72.99162	0.7
73.02820	2.0
74.02329	0.3
80.02538	1.2
81.03323	1.1
83.01262	0.8
83.04894	4.6
84.02030	1.1
85.02830	2.3
87.00751	1.3
88.89223	0.3
89.02317	8.7
93.03333	2.5
95.01210	0.3
95.04905	0.8
97.02825	0.4
99.00762	1.9
99.04402	0.5
101.02317	6.5
108.02053	0.3
109.02833	0.6
111.04458	0.7
113.02319	2.4
118.07265	0.3
119.03436	1.4
121.02889	0.6
123.04399	0.5
124.01544	0.3
125.02319	0.8
125.05929	0.6
131.03372	1.0
133.02853	1.1
134.03644	0.5
135.04410	3.9
135.08040	0.8
136.01526	0.5
137.02327	1.3
143.03307	0.4
145.02806	0.3
147.04401	0.3
149.04431	3.4
151.00250	0.5
151.03851	0.4
153.01826	0.4
155.03392	0.6
159.04431	0.4
160.05168	0.5
161.02386	3.1
161.04478	1.9
161.05754	0.4
162.02997	0.4
163.03873	0.3
163.11212	3.5
165.01909	0.4
165.12759	2.1
173.04472	5.7
174.04794	0.4
175.03969	0.4
175.07455	0.6
176.03929	1.4
179.03410	3.5
179.05553	0.5
180.03827	0.4
181.12280	0.5
185.32050	0.4
187.07651	0.4
191.03688	0.5
191.05507	6.9
191.07082	0.7
191.10728	0.8
192.05841	0.5
194.08131	0.6
209.11760	100.0
210.12085	6.2
227.03493	0.3
227.12839	15.7
228.13115	1.0
235.08142	0.3
243.03012	0.6
245.08229	0.4
251.12764	0.5
253.05110	0.5
253.09238	12.2
254.09618	0.4
255.02930	1.2
257.12778	0.5
271.02481	3.2
271.05298	0.5
283.02606	0.3
283.11011	0.3
289.07175	0.5
293.10272	1.0
300.02701	4.7
301.03452	2.7
301.06924	0.6
302.03732	0.4
302.12076	0.3
306.70142	0.3
329.13821	1.5
331.13000	0.5
335.07767	0.5
353.08820	0.3
361.15915	0.6
374.13251	0.4
389.15991	0.7
403.23471	0.5
425.17911	0.4
463.08466	3.3
463.21689	1.2
464.08990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0882
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
52.38879	0.4
59.01249	5.8
59.27385	0.3
63.02262	1.7
65.00199	1.8
69.64136	2.2
69.64541	0.9
71.01256	4.4
71.31954	0.4
73.02784	1.0
83.01261	1.8
85.02812	0.6
89.02311	5.3
91.01769	0.9
93.03320	0.6
99.00745	1.7
101.02323	2.2
107.01267	4.8
108.02064	2.8
109.02843	2.7
113.02328	1.1
119.03385	0.5
121.02825	3.3
124.01529	0.5
125.02322	1.1
131.03368	0.9
135.00764	1.7
145.02908	0.4
148.01549	3.4
149.02235	0.7
149.04448	3.0
151.00266	14.7
151.01503	0.7
152.00623	0.7
159.04359	0.7
163.00258	3.2
164.00989	1.2
169.01312	1.0
175.03920	0.5
178.99782	6.0
179.05399	0.4
180.00011	0.4
181.31360	0.4
183.04425	0.8
187.03880	1.1
190.99776	0.5
191.05539	1.5
192.00572	0.8
198.03122	0.7
199.03883	1.5
201.05449	0.5
202.02466	0.4
202.06111	0.4
203.03456	0.6
211.03894	2.5
215.03433	1.6
216.04266	1.0
226.02635	3.5
227.03407	6.3
228.03830	0.4
229.01552	0.5
229.04951	0.9
230.02045	0.5
243.02953	20.4
244.03355	1.9
245.04539	1.5
254.02129	4.5
255.02957	42.4
256.03369	3.5
259.69531	0.4
271.02460	98.3
272.02850	10.2
273.03897	1.4
283.02481	0.9
299.01956	2.0
300.02725	100.0
301.03455	48.1
302.03815	3.0
328.78003	0.5
343.04489	0.4
347.06732	0.5
463.08804	70.0
464.09058	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	463.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.8
57.03299	1.1
58.00443	0.9
59.01249	38.1
67.01778	0.9
69.03310	0.9
71.01250	22.3
72.99192	1.2
73.02816	7.9
79.05416	0.8
81.03296	0.8
83.01254	2.6
83.04900	1.9
85.02816	6.8
87.00751	3.0
89.02313	32.0
93.03325	3.8
95.01246	0.8
95.04901	2.9
97.02812	1.0
97.06465	2.6
98.20652	1.3
99.00760	2.6
99.08080	0.9
101.02315	12.4
103.03885	1.5
103.31881	0.7
108.04359	0.8
109.02825	1.0
110.96040	0.7
113.02317	5.9
119.03373	2.9
120.04449	1.8
121.02846	0.9
122.05981	1.3
125.02342	0.9
130.58989	0.7
131.03403	8.6
133.02855	1.9
134.06013	4.7
135.04384	3.7
137.02321	1.8
141.05446	2.0
145.05209	1.1
145.08597	1.8
149.02415	3.1
149.04454	100.0
150.04813	2.8
159.02986	0.9
159.05553	2.2
161.02357	5.6
161.04459	4.1
164.04701	1.3
173.04453	9.9
176.03903	1.5
179.03406	2.5
182.06058	1.5
191.05498	7.3
196.07698	1.1
197.08395	1.4
205.05052	1.6
212.10777	9.6
223.06143	2.9
225.06702	2.1
225.10257	1.6
226.07315	3.8
229.24054	1.1
239.08144	5.1
240.09009	11.0
241.08748	1.4
245.08159	0.8
255.11357	95.0
256.11606	5.4
259.19113	1.0
265.06143	2.1
266.06888	2.1
271.02481	1.7
281.09299	96.7
282.09607	7.8
283.11899	5.4
283.19153	1.1
299.10510	1.1
300.02902	3.5
301.03680	2.1
301.20258	2.0
342.60126	0.8
367.10391	1.2
392.26456	0.8
421.24280	1.5
426.21774	0.8
431.14435	1.3
463.09149	2.4
463.25751	11.9
464.25717	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46241	0.3
55.01740	0.3
57.03345	0.4
58.00462	0.4
59.01249	100.0
60.01588	1.0
69.03315	0.4
71.01252	8.3
71.58714	0.4
72.99174	0.7
73.02815	5.6
76.97643	0.2
82.60184	0.3
83.01250	1.5
85.02825	2.4
85.99976	0.3
87.00757	0.9
87.04401	0.4
89.02316	6.5
91.03861	0.3
93.03354	0.4
95.01266	0.4
97.02818	0.4
97.06492	0.9
99.00777	0.5
99.04411	0.5
101.02323	8.8
103.03885	1.6
113.02321	3.8
114.05992	0.3
115.03865	0.5
116.07928	0.3
119.03405	2.7
125.02337	0.7
125.09583	0.3
131.03419	1.2
134.04619	0.4
134.37373	0.3
135.04424	0.7
143.03374	1.5
145.04964	0.3
148.11519	0.3
149.04564	0.4
153.12766	7.0
153.14012	0.4
154.13162	0.5
161.04477	1.3
161.14264	0.3
163.06044	3.0
171.10274	0.4
176.36523	0.3
179.05618	0.6
179.10722	2.2
181.12291	0.3
181.96715	0.3
197.11775	13.0
198.12079	0.6
205.07069	2.4
227.03476	0.8
229.14540	0.3
230.47417	0.3
239.07185	0.3
255.02916	2.0
283.02444	2.3
284.03293	0.7
298.04773	1.9
299.05505	2.4
300.06021	0.4
304.72305	0.3
309.20856	0.4
315.18146	0.4
327.21591	1.4
328.22119	0.5
329.22559	0.9
385.14102	0.3
431.94373	0.3
461.10654	1.3
461.24411	1.1
461.31500	0.4
465.06125	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
59.67120	3.2
64.20668	3.8
66.99870	3.2
71.01260	18.9
72.75388	3.5
73.02805	11.7
82.16871	2.8
83.01284	3.4
83.04905	3.7
85.02818	9.4
87.00783	4.4
89.02302	9.0
93.03327	13.0
95.01280	3.6
101.02318	12.4
113.02293	5.4
127.69688	2.9
128.03404	7.4
131.03412	2.9
135.04385	4.8
137.02336	16.9
146.03604	11.2
151.13010	4.1
161.05960	7.9
173.04460	4.3
178.02551	5.2
179.07019	7.1
191.05504	8.8
193.05031	16.5
227.03387	5.2
249.05414	7.2
255.02887	14.5
278.50439	3.3
281.06680	19.7
282.07007	4.3
283.02451	15.1
284.03241	13.5
285.03900	5.3
299.05551	7.7
299.09036	7.1
446.08624	6.5
461.10358	29.6
461.23508	7.5
462.11176	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88062	1.0
59.01249	100.0
69.67755	3.1
69.68185	4.8
78.95773	2.4
83.17543	1.3
110.43906	1.1
140.29684	1.1
144.52396	1.1
192.29509	1.1
231.29944	1.2
279.23349	3.8
299.20108	2.2
300.00922	1.1
327.28815	2.5
387.25726	1.7
443.31644	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	461.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.8
57.03320	3.0
58.00470	2.5
59.01250	83.6
60.01571	0.7
61.98731	0.5
64.71061	0.4
69.03324	1.2
71.01252	59.7
71.57948	0.7
72.99184	3.4
73.02818	15.9
73.03236	0.8
74.02337	1.7
75.00747	1.3
76.45127	0.4
78.95784	1.0
79.01763	0.5
81.03345	0.6
83.01249	5.9
83.04858	0.8
84.02022	0.5
85.02821	15.0
87.00751	4.5
89.02314	58.4
90.02660	0.9
95.01265	3.6
97.02827	2.7
99.00749	10.2
99.04406	1.1
101.02321	43.3
102.02685	1.1
111.00766	0.9
113.02328	20.8
114.02665	0.5
115.03912	1.6
119.03388	19.8
125.02329	4.2
131.03394	6.6
143.03415	4.1
149.04451	10.3
152.99495	1.2
159.02916	0.8
161.02362	0.7
161.04440	8.5
161.98495	0.5
173.04451	0.8
179.05539	5.9
191.05539	4.0
233.06606	2.9
293.08691	2.0
329.19675	28.3
330.19983	2.1
373.18875	0.8
377.79489	0.5
461.23907	100.0
462.24121	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	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69684	0.3
56.54591	0.2
58.00443	0.2
59.01250	100.0
60.01585	1.1
62.41074	0.2
69.38856	2.3
71.01259	2.8
73.02824	3.4
83.01260	1.1
85.02839	0.6
89.02336	1.1
91.03876	0.3
97.06484	1.0
98.20614	0.4
99.00755	0.4
99.08009	0.3
101.02312	4.2
101.36914	0.2
103.03854	0.3
113.02329	1.2
119.03436	0.4
143.03476	0.7
149.04517	0.5
153.12752	12.7
154.13126	0.6
161.04471	1.2
163.06017	0.4
179.10667	4.1
181.12248	0.3
183.09048	0.3
197.11760	25.5
198.12053	1.2
205.07143	0.5
206.93112	0.3
221.11848	0.4
255.03189	0.3
283.02411	0.6
299.05823	0.8
327.21841	0.7
461.24387	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.6
57.03317	1.6
58.00474	2.3
59.01249	100.0
60.01577	0.8
69.03327	1.2
70.71728	1.3
70.72064	0.8
71.01250	24.3
72.99175	3.9
73.02818	14.4
75.00735	0.8
78.95824	0.5
80.89258	0.5
83.01254	3.1
85.02818	9.3
85.99947	0.9
87.00759	5.7
87.04411	1.5
89.02317	21.6
95.01259	1.3
96.95851	0.7
97.02826	1.0
99.00755	0.9
99.04393	1.4
101.02319	27.0
103.03884	9.4
105.98673	0.5
113.02328	8.6
115.03929	2.0
119.03385	9.0
121.02889	0.7
123.04455	0.8
125.02342	2.1
127.03928	1.0
131.03375	6.8
132.95195	0.6
143.03406	7.5
145.04997	2.7
152.99446	0.9
153.12779	1.6
153.31511	0.5
161.04489	1.9
163.06027	17.7
163.07353	1.2
175.02365	0.7
178.02629	2.2
179.05513	1.3
193.05003	8.2
195.13815	0.6
197.11757	2.9
205.07097	13.4
206.07571	1.1
210.01678	0.8
215.09366	0.5
284.03360	3.4
299.05655	7.2
299.09296	2.9
300.05875	0.8
327.21844	1.0
417.21249	2.2
461.23959	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01583	1.2
63.64231	0.7
71.01250	5.4
71.58053	0.8
73.02810	3.6
73.15697	0.7
83.01270	0.9
85.02824	1.3
87.00740	8.1
89.02335	2.8
93.03350	1.2
101.02340	4.7
109.02821	0.8
113.02338	3.4
137.02351	1.1
145.02931	1.0
150.03156	1.5
150.79704	0.6
152.01103	0.6
161.04463	1.5
174.53362	0.8
178.02649	2.0
181.80746	0.6
191.05611	1.5
193.04994	12.6
194.05412	0.6
206.16171	0.6
210.01645	2.0
225.11244	0.8
299.02042	0.8
299.09189	6.6
300.09753	0.8
373.18839	0.9
439.41901	0.7
453.17874	0.7
461.06592	0.8
461.23999	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.8
59.01243	7.9
61.98724	0.4
69.07259	0.3
70.97990	0.8
71.01247	2.7
72.99189	1.8
73.02808	0.5
74.02344	0.4
75.00742	100.0
76.01084	0.7
85.02817	1.4
87.00730	0.6
89.02328	2.0
93.68797	0.4
99.00723	0.5
101.02331	1.5
101.19491	0.3
109.02798	0.5
109.82447	0.3
111.28841	0.3
113.02320	1.1
119.03394	0.6
137.09595	0.4
151.08763	0.3
151.11197	0.4
153.09128	0.5
161.04361	0.7
161.09549	0.5
165.09045	0.6
173.04529	0.5
179.07234	0.4
179.10681	1.7
187.14015	0.4
191.05510	0.6
193.12297	0.5
200.50165	0.4
203.10738	2.0
206.09372	0.7
221.11748	8.6
222.12099	0.4
239.13020	0.4
247.59207	0.4
285.09979	0.3
330.96323	0.3
358.97702	0.4
432.45996	0.4
461.20416	0.4
468.80106	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	59.6
71.01261	14.4
73.02827	3.4
85.02808	5.0
89.02290	6.5
98.19832	6.7
101.02330	7.3
113.02338	3.8
121.02863	5.0
123.00780	4.2
123.04382	2.9
135.04390	2.7
137.02301	5.6
143.74300	2.3
147.04413	4.5
149.02324	3.1
151.00308	4.9
151.03877	5.3
159.04462	3.8
161.04565	4.1
162.03091	4.7
163.03954	8.0
174.03038	3.6
175.03934	14.0
178.02550	4.8
179.03328	3.1
180.04181	7.6
181.04782	3.2
189.05554	8.7
190.06247	17.1
191.05527	3.4
191.07076	8.3
193.01352	3.5
193.05032	21.8
194.05768	7.7
199.07730	3.0
201.01915	3.1
205.08635	10.7
207.06578	7.8
208.07341	11.2
214.02669	4.1
225.11237	3.4
241.01094	4.8
242.02116	5.9
243.02985	4.3
245.00856	3.8
257.00674	5.1
259.02414	4.3
263.04611	3.0
269.67242	2.8
271.02469	7.9
281.17654	7.5
284.03259	4.7
286.01068	6.1
287.01877	13.7
297.00250	5.2
299.02048	6.2
299.05667	6.3
299.09201	6.9
314.00742	3.1
314.11694	3.4
315.01389	23.8
316.01871	4.2
359.15009	100.0
360.15396	13.1
433.07700	7.5
461.06509	12.1
461.23892	5.3
462.07443	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	461.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64933	3.1
55.01759	4.7
59.01244	26.7
62.11942	3.0
65.99347	3.1
71.01257	55.5
71.44409	5.3
73.02813	25.6
83.01262	7.2
85.02818	24.6
89.02313	11.9
90.40636	3.2
97.02820	5.7
99.00738	10.2
101.02321	43.3
104.50614	3.1
113.02340	22.2
115.03915	3.8
125.02361	5.0
159.02904	7.1
161.04482	19.6
269.10333	34.6
398.94412	3.6
401.14496	100.0
402.14801	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	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.0
57.03323	1.4
58.00441	0.6
59.01249	100.0
60.01579	2.5
61.01673	1.5
61.98696	0.8
66.07501	0.4
69.03331	1.0
69.51295	2.5
69.51704	0.8
69.96156	0.4
71.01252	14.6
72.01591	0.4
72.99178	0.7
73.02814	5.7
83.01262	2.7
83.04914	0.5
85.02817	5.4
86.03187	0.5
87.00744	1.2
87.04388	0.8
89.02320	5.8
93.03352	0.6
95.01249	1.2
97.02884	0.6
99.00753	1.3
101.02316	9.5
110.35452	0.3
111.00800	0.7
112.98686	1.0
113.02327	8.0
114.02699	0.5
119.03384	2.3
119.12536	0.4
121.98950	0.3
122.64060	0.4
125.02358	0.7
131.03403	0.7
135.04402	0.4
135.08864	0.4
143.03392	1.2
158.05948	0.4
159.02876	0.4
161.02443	0.4
161.04488	3.9
167.10707	0.9
173.04488	0.6
174.01595	2.6
175.02261	0.3
179.05591	1.0
191.05544	1.1
211.13324	0.5
237.14932	1.2
239.16350	0.4
241.91962	0.4
255.16026	0.9
255.19612	0.8
327.21664	1.1
399.24017	7.5
400.24103	0.9
417.20428	2.1
417.24707	5.8
417.67578	0.4
418.25201	0.7
459.22211	15.4
459.28662	0.8
460.22192	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	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.4
57.03324	0.5
58.00459	0.4
59.01249	100.0
59.09641	0.2
60.01586	1.1
69.40784	0.4
69.41195	1.3
71.01250	6.2
72.99178	0.4
73.02814	2.0
83.01261	1.0
85.02822	2.2
87.00767	0.4
87.04416	0.5
89.02323	2.3
95.01277	0.6
97.02882	0.3
99.00751	0.5
101.02327	4.5
101.05978	0.9
111.00790	0.4
113.02319	2.5
119.03414	0.9
125.02383	0.5
143.03433	0.8
156.84789	0.2
159.02977	0.3
161.04448	1.9
166.51015	0.2
178.01155	0.2
179.05617	0.4
191.05524	0.2
214.05273	0.2
218.24821	0.2
237.14569	0.2
255.19690	0.5
292.29462	0.2
297.20752	0.4
381.22839	0.4
384.63403	0.2
399.23907	2.3
400.24292	0.5
417.24918	2.7
420.92288	0.2
459.22559	0.5
459.29565	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
61.47628	0.9
61.98714	1.4
71.57907	1.0
80.51543	1.1
96.95869	3.4
116.96130	1.0
121.02863	1.5
127.00035	1.0
217.00252	1.4
252.78764	0.9
265.76062	1.0
269.80246	1.0
283.05975	1.9
293.17520	2.1
325.20157	5.5
459.26727	1.4
467.01117	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2441
Annotation	(-)-Tetrazomine
Peak:m/z	Relative Intensity
55.01756	2.0
57.03320	2.0
58.00468	1.1
59.01250	77.6
60.01583	0.9
68.99664	0.5
69.03332	0.7
70.36731	0.3
70.46006	1.4
71.01251	24.4
72.01575	0.6
72.99174	2.1
73.02818	10.0
73.52944	0.3
75.00748	0.8
83.01257	6.5
83.04895	0.4
85.02820	13.7
85.99966	1.4
87.00749	3.1
89.02312	6.8
93.03313	0.5
95.01260	2.0
97.02833	1.2
97.06493	0.4
98.19991	0.4
99.00755	2.6
99.04378	0.4
101.02320	18.9
101.73683	0.3
102.02660	0.3
111.00728	0.6
113.02325	8.7
116.97115	0.4
119.03392	1.9
122.80749	0.3
124.01512	0.3
125.02363	1.2
129.01822	0.4
140.21368	0.3
143.03423	1.3
159.02930	0.5
161.04468	2.8
173.04419	0.5
174.99149	0.4
179.05569	0.6
183.13748	0.4
189.12813	0.4
191.05498	0.5
217.00301	2.3
235.16968	0.6
237.18465	1.9
251.20355	0.5
253.18034	3.0
264.19424	0.3
362.14984	0.3
371.24384	0.8
374.99170	1.1
397.22281	13.1
398.22610	1.4
411.13834	0.3
415.23331	27.6
416.23724	3.3
457.24380	100.0
458.24741	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	459.1508
Annotation	Neolloydosin
Peak:m/z	Relative Intensity
50.33169	0.2
52.13536	0.3
58.67072	0.2
59.01250	1.9
64.61974	0.2
69.03301	0.2
69.54407	0.2
71.01258	1.2
71.05857	0.4
79.05399	2.4
81.03313	0.4
89.02313	1.1
93.03304	0.3
99.00736	0.4
101.02303	0.6
105.03332	4.9
111.38607	0.2
113.02316	0.3
115.33598	0.2
121.06473	2.4
123.00747	0.4
123.04408	13.9
124.04757	0.6
125.02333	0.5
125.95647	0.2
137.02316	0.3
138.03198	0.3
147.04451	0.6
149.02339	9.0
150.02698	0.6
160.01575	0.8
165.05481	100.0
166.05840	4.6
167.03397	2.1
169.71489	0.3
173.04485	0.4
175.03911	1.2
182.02129	0.7
191.05545	0.7
193.04979	0.4
197.04506	0.7
233.06627	0.3
251.47046	0.2
293.08804	0.9
328.20013	0.3
459.15027	6.5
460.15372	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.3
56.66393	0.2
57.03325	0.5
57.36342	0.2
59.01251	100.0
59.46593	0.2
60.01590	1.4
69.38624	1.6
71.01252	7.2
73.02817	1.6
73.03120	0.1
83.01282	0.7
85.02825	3.7
87.00754	0.2
87.04355	0.9
89.02328	1.4
92.25829	0.2
95.01279	0.6
99.00756	1.0
101.02320	3.1
106.23521	0.2
113.02333	5.7
119.03431	0.5
125.02304	0.3
143.03423	0.4
159.02983	0.4
159.31317	0.2
161.04466	2.9
174.01653	0.2
179.05489	0.3
223.75664	0.2
255.19759	0.5
259.70679	0.2
296.67697	0.2
399.23895	5.3
400.24146	0.9
417.24890	2.4
418.25958	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56501	0.4
57.23476	0.3
59.01249	100.0
60.01582	1.0
69.93504	1.8
71.01262	0.8
79.03601	0.3
79.21719	0.3
85.02860	0.5
89.02315	0.4
96.95876	0.4
98.19808	0.7
101.02315	0.4
118.15474	0.3
168.12970	0.3
174.99179	1.4
193.04991	0.6
216.70450	0.3
217.00214	5.1
231.37090	0.3
238.01685	1.5
245.65738	0.3
251.99532	0.5
275.99612	1.0
291.01837	4.2
307.98462	0.4
325.02698	0.4
374.99234	2.3
397.06070	1.7
416.39035	0.3
437.30740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.5
57.03327	0.5
58.00452	0.5
59.01249	100.0
60.01585	0.9
69.03322	0.4
69.57971	1.7
70.94412	0.2
71.01250	8.4
71.04881	0.3
72.99181	0.4
73.02815	5.2
81.03328	0.4
83.01256	1.6
83.04922	0.3
85.02821	2.4
87.00753	0.5
89.02309	3.9
91.76822	0.2
93.03394	0.2
95.01279	0.7
97.06474	0.2
99.00756	0.6
99.04417	0.9
101.02319	6.4
109.86042	0.2
111.86020	0.2
113.02319	5.6
119.03423	1.6
125.02348	0.3
131.03423	0.5
135.04440	0.4
142.98898	0.2
143.03442	0.5
149.04430	0.3
161.04454	2.3
173.04465	0.5
179.03392	0.3
179.05498	0.3
183.13829	0.3
191.05518	0.6
210.14584	0.2
235.16956	0.3
236.12404	0.2
253.18121	0.7
316.00922	0.2
397.22244	1.0
415.23550	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.9
57.03323	1.9
58.00469	0.3
59.01248	100.0
60.01583	1.3
69.03327	0.3
69.53341	0.7
69.53775	1.0
71.01250	13.4
71.04898	0.7
72.01585	0.2
72.99188	0.4
73.02814	3.0
76.63544	0.2
76.81631	0.2
81.03322	1.3
83.01247	1.5
85.02819	5.5
87.00762	0.7
89.02312	6.2
90.02655	0.3
95.01260	1.6
97.02805	0.3
99.00751	1.4
99.04375	1.5
101.02318	7.9
113.02322	14.1
114.02682	0.3
119.03381	3.3
121.75867	0.2
124.01510	0.3
125.02338	0.4
127.70787	0.2
131.03412	0.5
143.03436	0.9
147.11728	0.2
149.04448	0.3
153.12744	0.3
159.02910	0.4
161.04449	2.9
165.12845	0.3
179.05565	0.9
191.05508	0.3
235.17070	0.4
253.18166	0.3
297.17059	0.2
325.16608	0.6
327.18103	0.5
343.17575	0.5
385.13000	0.2
386.35666	0.2
397.22299	8.5
398.22711	1.0
415.23367	7.9
416.23447	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.4
57.03321	0.7
58.00462	0.5
59.01249	100.0
60.01576	1.1
70.71361	0.4
71.01252	9.3
72.99193	0.4
73.02819	3.7
73.03944	0.2
74.09458	0.2
83.01257	1.0
85.02814	3.0
87.00769	0.6
89.02312	5.0
91.11401	0.2
93.03344	0.2
95.01263	0.7
97.02861	0.2
99.00761	0.5
101.02310	4.6
101.43089	0.2
111.04351	0.2
113.02322	5.2
115.05024	0.9
119.03397	1.5
125.02335	0.2
130.08640	1.9
131.03386	0.3
143.03413	0.3
149.04504	0.3
157.13393	0.7
161.04466	1.7
173.04431	0.3
179.03416	0.2
179.05537	0.5
191.05566	0.4
201.12535	0.3
270.21875	0.6
280.25092	0.2
327.23807	0.2
397.22372	0.4
413.23965	2.0
414.24268	0.2
415.23395	0.8
417.81952	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70626	0.1
55.01746	0.3
57.03315	0.7
57.81499	0.1
58.00457	0.6
59.01247	100.0
60.01578	1.2
61.98708	0.1
68.46499	0.1
69.03329	0.5
71.01248	17.0
71.57999	0.2
72.01592	0.3
72.99171	0.8
73.02814	8.5
74.02348	0.6
75.00713	0.3
81.03275	0.2
83.01254	2.6
83.04868	0.2
84.02061	0.1
85.02818	4.2
87.00740	0.6
89.02312	6.9
93.03319	0.4
95.01266	1.4
97.02827	0.3
97.06460	0.1
99.00243	0.1
99.00759	0.8
99.04386	0.2
100.00272	0.2
101.02316	9.8
102.02644	0.2
111.00749	0.2
111.04375	0.3
113.02325	11.9
113.22378	0.1
114.02651	0.3
119.02567	0.1
119.03380	2.6
123.05480	0.1
123.07999	0.2
125.02357	0.8
131.03409	0.8
133.02788	0.2
133.19264	0.1
135.04439	0.6
135.05351	0.1
137.07063	0.2
141.08998	0.2
143.03407	1.0
149.04381	0.6
149.05768	0.1
149.10701	0.1
155.03316	0.2
159.02814	0.1
161.02339	0.1
161.03239	0.2
161.04449	3.0
173.04486	0.7
175.03798	0.1
176.03856	0.2
177.05424	0.1
179.03281	0.4
179.05554	0.9
183.13931	0.1
191.03885	0.1
191.05540	1.5
191.14243	0.1
198.78426	0.1
203.05406	0.1
211.10732	0.1
221.06447	0.2
235.13158	0.1
251.98138	0.1
253.17744	0.2
275.13733	0.1
282.11456	0.1
283.15277	0.1
285.13318	0.1
287.73343	0.1
305.14624	0.3
325.19769	0.3
335.07355	0.1
337.80786	0.1
397.22287	1.9
398.22385	0.2
415.23407	1.2
416.22980	0.4
421.06317	0.1
423.17188	0.2
457.15051	0.1
457.24411	0.2
458.20062	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	457.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16005	0.6
59.01234	0.8
61.98698	0.9
71.31977	0.6
71.58181	0.7
73.02846	0.6
113.44318	0.6
116.12894	0.5
119.04911	85.0
120.05274	2.9
120.06016	0.5
131.03383	0.7
135.04440	1.2
136.68935	0.6
149.05992	0.7
159.57629	0.5
163.03911	100.0
164.04248	4.4
179.03432	1.4
191.05524	0.7
207.00137	0.5
242.96870	0.6
258.02737	0.6
325.09192	5.5
346.83197	0.6
397.88538	0.6
457.13556	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	457.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98047	0.2
57.03323	0.6
59.01250	100.0
60.01579	0.8
61.52208	0.1
69.03322	0.2
70.97373	0.4
71.01255	3.5
72.99187	0.2
73.02822	2.6
73.44965	0.2
76.51233	0.2
83.01260	0.8
85.02821	1.0
89.02311	2.0
89.02741	0.2
93.03359	0.2
95.01290	0.3
99.00780	0.5
99.04412	0.4
101.02306	2.9
101.02907	0.2
101.05960	0.2
113.02339	1.8
119.03398	0.6
125.02377	0.6
131.03413	0.2
143.03394	0.5
149.04446	0.2
159.02925	0.2
161.04451	1.2
163.11246	0.2
165.12778	0.7
173.04401	0.2
179.05478	0.2
183.13817	0.8
191.05566	0.4
217.00310	0.2
235.16998	0.2
253.18114	0.6
266.98914	0.2
352.50504	0.2
360.37253	0.2
397.22205	1.0
415.23459	0.5
428.06985	0.2
457.28885	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47310	0.7
55.01759	1.8
57.03307	2.0
58.00464	1.4
59.01250	87.2
60.01582	0.9
69.03334	2.0
69.13349	0.7
71.01252	27.9
71.58405	1.0
72.57249	0.7
72.99159	1.6
73.02820	9.1
75.27967	0.7
83.01241	5.2
85.02821	12.7
85.99977	1.3
87.00723	3.7
87.57487	0.8
88.18156	0.7
89.02326	5.9
95.01272	2.2
97.02849	1.1
99.00729	2.3
101.01689	1.4
101.02322	18.9
113.02332	8.3
114.03590	0.7
119.03391	2.9
125.02382	1.0
125.85449	0.8
135.04512	1.1
143.03339	1.2
161.04428	3.4
171.26781	0.7
174.99188	1.7
191.05536	1.2
209.15369	1.0
217.00211	7.5
253.18054	3.6
254.57414	0.8
283.06293	2.0
307.18677	0.8
371.24347	1.2
374.99200	3.3
377.19498	0.8
397.22272	10.7
415.23297	16.6
416.23526	3.2
419.13071	0.9
421.12494	1.4
457.24380	100.0
458.24802	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	457.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.2
67.26363	0.6
69.36383	0.6
69.94493	3.0
71.01259	0.7
81.69976	0.5
89.72781	0.5
93.03358	0.8
109.33907	0.5
119.04913	98.3
120.05252	4.4
135.04419	1.0
149.04434	0.9
159.15295	0.5
163.03914	100.0
164.04248	4.3
191.05563	1.7
191.35779	0.6
216.78940	0.6
303.13339	0.6
325.09253	7.8
457.13513	10.2
457.19519	1.0
458.13922	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94814	4.0
51.38676	3.9
53.34778	3.8
59.01247	12.8
70.50200	3.8
71.58354	4.7
78.95772	30.1
95.91281	3.7
109.02773	5.5
148.88092	3.7
152.99498	36.6
153.12695	11.3
157.02873	3.7
163.11223	7.6
164.27100	4.0
165.09163	9.5
165.12759	16.4
179.10672	6.5
181.12262	100.0
182.12636	6.7
195.13885	6.4
199.13301	50.0
209.11781	17.7
215.12912	9.4
227.20111	62.9
255.15990	5.1
297.15332	4.9
300.93918	4.8
345.24045	4.9
363.25195	21.3
381.26395	36.2
382.26773	5.1
455.24094	37.4
455.29691	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	455.3529
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
70.01041	1.4
91.55706	0.4
118.34499	0.4
126.48093	0.3
131.16292	0.5
166.32854	0.4
214.45503	0.4
263.22272	0.4
277.21979	0.5
372.31226	0.4
407.33081	1.5
455.35294	100.0
456.35635	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	457.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	4.6
59.01244	1.7
63.02262	0.4
65.00189	0.5
67.01753	0.2
69.03326	0.4
71.01256	0.5
71.37761	0.6
73.02812	0.2
81.03321	1.8
83.01254	5.9
83.01766	0.3
89.02299	0.6
93.03345	0.6
95.01278	0.3
95.04927	0.2
97.02850	1.3
99.04385	0.3
101.02298	0.4
105.03342	0.3
107.01271	1.2
109.02830	0.6
111.04434	0.2
113.02290	0.3
119.03384	0.4
121.02831	0.7
123.00713	0.3
123.04399	1.8
125.02334	100.0
126.02683	2.3
133.02844	0.2
135.04407	0.6
137.02342	0.7
139.03903	3.6
149.02342	11.8
150.02751	0.4
151.00258	1.6
151.03915	0.2
161.02274	0.3
163.03946	0.6
167.03415	11.2
168.03818	0.2
169.01317	0.5
173.02271	0.3
173.04604	0.3
175.00233	0.2
179.03418	2.0
181.05009	0.2
191.01813	0.4
191.03435	1.8
191.05537	2.3
191.06885	0.2
203.03438	0.3
209.04492	17.0
210.04858	0.8
233.04500	4.4
233.08047	0.2
251.05598	1.7
262.04916	0.2
263.05817	0.2
277.07150	0.3
329.08780	2.5
353.08521	0.2
367.49951	0.2
371.09729	0.8
395.09906	0.3
413.10867	12.6
414.11066	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
63.49413	0.5
71.01263	1.3
71.57773	0.7
73.02833	0.6
76.96685	0.7
101.02322	0.6
138.90036	0.5
139.03900	0.8
171.10223	1.1
174.93242	1.3
236.21979	0.5
278.68140	0.6
292.26273	0.5
395.15479	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93091	0.3
59.01240	0.6
61.36985	0.3
62.02699	0.3
71.26882	0.6
78.95777	7.5
89.76432	0.3
96.96858	0.5
97.22572	0.3
115.91904	0.3
152.99484	15.1
160.84108	1.3
162.83835	4.2
171.00571	1.2
174.93324	0.5
200.49799	0.3
204.31783	0.3
209.19159	0.4
215.54529	0.3
227.03230	3.0
227.20108	100.0
228.20453	7.1
245.04256	1.2
296.97195	0.3
310.90210	0.3
419.07901	0.3
420.07544	0.9
455.24133	22.1
456.24399	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	455.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84419	2.0
55.13906	2.0
55.68073	2.1
59.01238	2.8
63.96099	10.2
65.03835	2.6
68.99688	6.8
69.88377	12.2
79.95609	3.5
81.03340	8.4
88.53883	2.0
90.73304	2.2
91.05403	7.2
93.03340	3.0
95.01282	12.3
95.04913	5.7
107.04903	18.7
108.02064	3.5
109.02831	6.4
119.04205	2.7
119.04928	18.0
119.68224	2.2
121.02851	5.0
121.06519	10.3
122.03630	5.8
123.04416	4.4
133.06482	4.9
135.04422	100.0
136.04781	3.3
137.02357	2.6
137.05978	30.6
143.08813	2.2
147.04422	14.8
149.05934	2.3
150.06735	3.9
163.03885	4.2
179.01590	3.6
180.02449	7.2
181.03102	2.0
182.05725	8.9
212.01436	15.3
232.77640	2.1
254.69861	2.6
261.18521	2.6
293.15732	7.3
294.16565	31.5
295.16788	3.4
326.15567	88.3
327.15884	8.2
342.08289	2.2
374.97565	2.2
397.00711	2.4
455.26459	4.6
472.01511	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.2
56.87625	0.8
57.03323	3.0
57.57834	0.8
58.00476	1.6
59.01251	72.5
69.03308	0.9
69.53893	1.5
69.54298	5.4
71.01254	39.7
72.99178	2.6
73.02816	17.9
75.00761	1.2
75.01335	0.7
83.01254	15.5
85.02826	22.4
85.99998	0.8
87.00756	1.9
89.02325	5.0
91.10913	0.7
93.03322	1.3
95.01255	2.5
95.80608	0.7
97.02790	1.0
99.00743	7.0
101.02323	46.7
102.02652	1.0
103.03889	1.8
111.00747	1.2
113.02326	18.5
115.03931	0.9
119.03416	1.5
125.02340	2.4
131.03357	1.0
133.02867	1.1
135.04375	0.9
143.03387	2.2
159.02832	4.0
161.02350	2.2
161.04472	14.3
163.06012	1.7
173.04408	1.7
179.03378	1.3
191.05496	2.7
233.09021	0.9
242.92021	0.8
249.13403	80.0
250.13788	4.1
307.53336	0.8
345.04233	0.8
354.25897	1.0
368.12311	1.2
368.86441	0.9
383.14621	1.2
395.19208	100.0
396.19479	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	455.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.6
57.03316	2.5
58.00477	1.2
59.01250	100.0
61.44614	0.8
61.98675	2.2
69.03319	1.9
71.01252	32.4
71.58228	1.2
72.99154	2.0
73.02815	13.4
75.00729	1.0
83.01250	5.8
84.40649	0.8
84.99583	0.9
85.02824	18.2
85.99976	0.9
86.92374	0.8
87.00747	3.1
89.02322	6.7
95.01255	3.5
97.02793	1.5
99.00735	4.5
99.04379	2.8
101.02316	21.8
103.91930	0.9
108.07941	0.7
109.19055	0.8
111.00744	1.1
112.77480	0.8
113.02323	12.2
115.91929	1.4
119.03368	2.0
124.01606	1.0
125.02290	1.4
139.03918	0.9
143.03363	1.7
151.33598	0.8
155.06450	1.0
159.47549	0.8
161.04446	3.9
174.99086	2.1
178.09875	3.5
198.99126	0.9
233.15370	2.7
235.16977	16.8
251.16536	6.4
256.64972	0.9
395.20670	8.9
413.21753	16.9
414.22159	2.1
455.22824	86.9
456.23132	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	455.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.5
56.83004	0.7
57.03325	3.2
57.74313	0.6
59.01249	74.0
61.98689	0.9
69.03326	1.9
71.01248	30.7
72.01591	0.7
72.99175	1.2
73.02814	14.9
75.00727	1.5
83.01265	6.4
85.02818	15.0
85.99978	1.1
87.00739	2.8
89.02308	6.8
93.03354	0.9
95.01262	2.8
97.02837	1.3
99.00757	3.1
99.04398	2.5
99.92482	0.8
101.02320	19.4
108.06638	0.6
113.02335	11.1
115.91977	0.8
116.92708	0.7
119.03387	1.5
125.02348	1.3
129.01801	1.1
131.03357	0.7
132.98015	0.6
139.03882	0.7
141.13010	0.8
143.03381	1.4
157.01016	0.8
159.02946	0.7
161.02448	0.9
161.04480	4.1
174.99138	2.4
178.09903	3.0
189.82233	0.6
210.99199	0.8
229.76353	0.7
231.82056	0.6
233.15466	1.3
235.16982	17.3
236.17210	1.6
251.16510	7.7
253.94669	0.7
291.08557	0.6
315.93420	0.7
369.22299	0.7
395.20630	9.5
396.21161	1.1
413.21759	19.2
414.22186	2.3
424.54059	0.6
455.22821	100.0
456.23248	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	453.2125
Annotation	Lemmonin D
Peak:m/z	Relative Intensity
53.85537	0.4
57.11960	0.5
58.00464	0.5
59.01248	11.7
62.99208	0.4
67.08939	0.5
70.38494	0.7
71.01257	1.1
73.02803	0.9
85.02836	0.5
96.80425	0.5
101.02323	0.6
113.02313	0.4
121.00954	0.4
135.04398	0.5
141.09088	1.3
143.71153	0.4
186.05475	0.5
194.64764	0.4
203.14342	0.9
205.15996	1.0
209.07903	7.6
211.37350	0.4
226.53371	0.4
231.13850	9.9
232.14226	0.8
233.15425	1.2
249.14920	100.0
250.15283	8.2
263.16467	3.6
311.11801	1.5
326.81598	0.5
350.68094	0.5
453.21228	4.1
454.21707	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.7
59.01249	100.0
59.42475	0.5
60.01583	1.4
61.22773	0.5
61.98706	1.2
69.03327	0.6
70.16396	2.0
71.01253	8.9
73.02820	4.1
83.01273	1.8
85.02820	7.1
86.00029	0.5
87.00750	0.7
89.02316	2.9
93.03391	0.5
95.01282	0.5
96.95825	0.5
96.96838	0.6
97.02846	0.6
99.00768	0.9
99.17818	0.4
101.02324	6.6
109.02858	0.6
113.02312	2.5
119.03380	1.1
121.02850	0.8
131.08569	0.7
133.02858	0.5
139.03940	0.7
161.04469	0.8
161.09671	1.5
163.11099	0.4
173.04530	0.7
173.09673	0.9
174.93468	0.5
184.70998	0.5
191.05669	0.6
191.10809	0.9
203.05664	0.9
203.10719	1.0
223.47551	0.5
233.15443	0.5
251.16563	1.9
267.65555	0.4
274.99100	0.4
277.52481	0.4
297.04547	0.9
323.15018	5.1
395.20984	0.8
413.21738	2.1
417.11563	0.5
455.03027	1.8
455.22537	5.9
455.33521	0.7
456.23376	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23999	0.2
53.40932	0.3
59.01223	0.5
71.01226	0.2
71.19747	0.6
73.47984	0.3
77.97215	0.2
78.95773	80.5
84.70574	0.3
85.55455	0.3
88.58216	0.2
96.95858	0.3
96.96884	0.2
105.16456	0.3
110.89787	4.3
110.98410	100.0
111.98766	0.7
186.72629	0.3
191.05566	0.7
196.99396	0.3
267.66733	0.3
273.03885	0.3
341.10870	0.8
453.10284	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21125	0.3
59.01246	100.0
60.01583	1.1
69.39120	2.6
71.01245	4.8
73.02814	4.0
76.13103	0.3
83.01263	1.2
85.02833	1.1
87.00767	0.4
87.04385	0.8
89.02310	1.8
93.03323	0.5
94.17471	0.3
95.01263	0.4
98.20589	0.6
101.02316	4.7
110.64649	0.3
113.02326	1.7
119.03410	1.0
125.02389	0.4
131.03351	0.5
134.03619	1.8
135.04375	0.6
149.04436	0.7
161.04480	0.8
173.04425	0.8
179.03194	0.3
191.05568	0.7
232.46605	0.3
249.15230	0.5
298.29163	0.3
355.10306	0.4
356.11285	0.4
393.19519	0.4
394.99048	0.3
453.20645	0.8
453.29926	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55206	0.8
50.77210	0.9
57.03310	1.4
57.29588	0.9
58.00454	2.0
59.01248	100.0
60.01580	1.5
64.54540	0.9
69.03336	1.1
69.77539	3.7
69.77950	2.0
70.34340	1.0
71.01252	32.2
72.99185	4.5
73.02814	17.4
79.64608	0.9
82.09000	1.1
83.01273	3.3
85.02823	11.1
87.00741	5.6
87.04362	1.4
89.02310	31.0
93.03349	1.4
95.01294	1.4
101.02317	32.5
101.02988	1.7
103.03908	9.6
109.02886	1.1
109.22457	1.0
113.02337	9.2
115.03920	3.0
119.03394	11.3
119.45038	1.2
125.02369	2.0
126.82726	1.2
127.03961	1.1
131.03381	6.7
133.02878	2.0
134.03625	6.0
135.04294	1.4
143.03409	8.3
145.04974	2.4
149.04445	6.5
159.10158	2.3
161.04431	1.5
161.97342	0.9
163.06027	42.8
165.01819	2.0
173.04532	1.7
178.02614	1.9
179.05553	3.4
191.05510	3.8
192.05806	1.2
205.07089	12.5
210.63541	1.0
226.38239	1.0
247.11772	2.0
265.09311	4.9
279.10739	1.7
313.01233	1.0
321.15515	8.5
393.17621	19.1
394.17911	1.9
439.70242	1.0
453.19592	2.0
454.20267	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	452.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65605	0.1
71.29732	0.3
78.95773	19.1
86.14124	0.1
116.49537	0.1
120.81467	0.2
122.00066	0.8
122.98417	0.2
134.98413	0.2
139.56602	0.2
140.01083	5.1
152.99480	1.5
166.02670	0.2
196.03726	9.7
197.04085	0.4
207.09860	0.2
214.04784	2.1
235.90935	0.2
237.22260	0.3
255.23259	100.0
256.23596	9.3
256.26373	0.3
262.39771	0.2
452.27789	23.6
453.28122	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	452.278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	0.8
70.87668	0.3
70.87981	0.6
78.21566	0.3
78.95774	5.7
95.04880	0.3
140.01079	2.1
152.99495	1.1
171.00580	0.6
173.30627	0.3
185.79132	0.2
196.03769	1.1
198.94821	0.3
214.04837	2.0
220.75856	0.3
238.62053	0.2
255.23267	100.0
256.23618	9.4
256.26385	0.4
269.06982	0.3
281.20731	0.3
393.19641	6.0
452.21387	0.4
452.27798	9.2
453.27982	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33383	0.7
54.89294	0.7
59.01248	100.0
60.01583	1.1
61.98706	0.8
62.61269	0.7
67.72537	0.7
70.56490	0.6
71.38114	1.4
75.00755	1.0
78.95789	1.3
81.03321	3.5
83.04890	12.3
96.95872	3.4
133.77591	0.7
152.91689	0.9
166.91121	0.9
183.88037	0.7
194.95609	0.9
208.84277	0.8
210.90063	1.6
210.92697	0.7
236.21252	0.7
391.29642	35.6
392.29877	5.1
451.16003	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89924	0.5
51.62444	0.4
55.54082	0.4
59.01249	100.0
60.01587	1.0
62.96283	0.6
69.59184	3.5
72.24703	0.4
78.95796	1.4
79.28251	0.4
80.97337	0.7
81.03319	3.8
83.04897	15.4
96.95896	0.9
98.20486	1.1
115.85970	0.5
121.02878	1.4
144.10641	0.5
145.02890	1.9
162.83824	0.8
192.96057	0.5
194.95544	0.7
210.90028	1.0
286.89966	0.5
307.24124	0.5
368.88983	0.9
391.29651	39.6
392.29993	4.8
433.25900	1.1
451.15723	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96643	0.1
58.02844	0.3
59.01258	0.8
69.39183	0.5
69.39613	0.6
71.01256	0.3
73.02824	0.2
80.04933	0.4
81.03329	8.2
83.04895	24.8
84.05236	0.6
85.02812	0.3
87.00748	0.1
89.02316	0.1
93.03345	0.5
98.20519	0.2
100.07548	0.3
107.06020	0.7
108.04433	1.2
111.04433	0.2
125.07085	2.7
126.05479	0.5
135.04430	0.5
138.05508	0.2
143.08151	1.7
149.04497	0.3
164.14374	0.2
173.04482	0.5
173.05852	0.1
174.04849	0.1
183.14914	0.1
187.07509	0.6
188.07922	0.3
189.08046	0.2
191.05522	1.3
192.05951	0.5
193.06024	0.6
202.06410	0.1
203.06596	0.2
207.14977	3.5
208.13333	0.4
208.15248	0.2
214.09454	0.2
215.07144	0.1
215.09764	0.1
217.07750	0.2
222.16104	0.1
224.07011	0.1
224.17625	5.0
225.16031	12.9
226.16429	0.7
231.10280	0.4
232.10634	0.3
233.10805	0.2
242.18683	2.0
250.15407	0.3
257.13318	0.1
259.08789	0.2
268.16669	0.4
275.09225	0.3
276.09595	0.4
277.09961	0.6
290.22485	0.6
292.20343	0.2
306.21957	0.2
307.23926	0.3
309.21805	0.5
324.26495	1.8
333.22931	5.1
334.23376	0.5
339.27713	0.3
340.88660	0.1
351.23996	1.3
352.07364	0.1
367.27072	1.1
385.28064	0.4
406.30533	0.2
407.19339	0.2
433.31802	6.0
434.32181	0.7
451.32870	100.0
452.33176	11.9
466.24924	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38591	1.9
57.03304	2.4
59.01250	100.0
67.01769	2.8
70.53510	3.0
70.53846	4.5
71.01256	30.3
73.02814	13.0
75.00768	2.1
81.03318	2.8
83.01257	4.5
83.04913	2.6
85.02826	13.3
87.00770	9.5
89.02322	13.2
91.74835	2.0
93.03324	10.4
94.03688	2.2
95.04860	2.3
96.04438	7.0
99.00770	3.3
101.02326	19.9
105.03340	2.6
109.02837	2.3
111.04379	2.7
112.04728	2.2
113.02370	10.7
119.03392	1.9
119.20016	1.7
123.04459	2.2
124.03931	3.5
133.02847	9.5
134.03668	13.9
135.04494	13.3
137.02307	2.2
139.48047	2.2
141.09125	11.0
143.10744	3.1
155.03368	3.2
157.06534	3.4
161.02386	4.0
161.04472	10.1
162.03128	3.5
173.04431	9.3
174.04794	5.5
175.04962	6.5
177.01848	2.6
178.02338	2.9
191.05547	9.8
192.06042	2.2
203.05518	3.2
231.10258	6.7
232.10587	6.1
233.10788	5.8
241.11885	4.1
275.09259	16.4
276.09613	18.5
277.09793	29.6
278.09988	3.4
290.04367	1.9
295.16739	2.6
331.17569	16.9
349.18692	30.5
391.19724	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	451.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.0
57.03328	1.2
59.01249	100.0
60.01596	1.4
61.98676	0.7
69.03361	1.6
69.26681	8.2
71.01251	25.0
72.01594	0.8
72.99173	1.9
73.02816	9.3
75.00732	1.1
78.95795	0.9
81.03295	0.8
83.01260	4.5
83.04888	0.8
85.02821	10.0
87.00762	2.2
89.01805	1.3
89.02309	10.6
93.03342	5.9
94.03664	1.8
95.01270	1.6
96.04442	2.3
96.95866	1.1
97.02824	1.0
98.20631	1.6
99.00780	2.2
99.04372	0.8
101.02322	19.0
105.03349	1.7
110.02425	0.7
111.03678	0.9
111.04427	2.9
112.04797	1.4
113.02335	9.5
117.03284	0.9
119.03397	5.3
123.04390	0.8
125.02297	1.7
127.03946	1.0
131.03424	1.8
133.02829	5.3
134.03711	7.6
134.05992	6.1
135.04512	7.0
136.04822	1.4
136.07599	3.8
137.02354	1.8
138.02893	0.7
140.07053	0.9
143.03401	2.3
149.02403	1.1
149.04453	1.9
155.03430	1.7
159.02977	1.0
161.02362	1.0
161.04471	9.3
161.07149	0.9
162.03075	1.5
169.17999	0.8
173.04457	9.2
174.04860	2.8
175.04982	2.4
177.01859	1.5
178.02426	1.2
179.03491	1.2
179.05421	1.2
187.11925	0.8
187.13226	3.6
191.05533	8.1
192.05920	1.1
193.06110	1.2
203.05565	1.1
203.10780	1.4
221.06917	0.8
231.10199	4.8
231.14981	8.0
232.10619	3.0
232.15211	0.9
233.10750	4.6
253.14694	0.9
257.12982	2.7
259.09702	1.9
269.14185	0.8
275.09247	11.2
275.14069	1.9
276.09549	12.1
276.12250	1.0
277.09814	19.2
289.16827	1.8
289.49078	0.7
331.17630	8.9
332.18033	1.6
349.18634	18.5
350.19131	1.8
377.99545	0.8
391.19720	7.5
451.15598	4.4
451.21494	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	451.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18879	0.9
59.01249	100.0
59.80434	0.9
61.98697	1.6
67.01756	1.0
71.01248	16.0
72.99170	1.4
73.02819	8.3
82.58528	1.0
83.01263	2.8
85.02837	4.8
87.00762	2.8
89.02331	10.9
93.03342	4.4
94.03645	0.9
95.04911	0.8
95.59455	0.9
96.95869	1.2
98.20610	1.7
99.00734	1.7
101.02323	15.1
108.95939	1.0
111.04421	1.6
111.61181	0.9
113.02337	6.2
119.03392	5.0
121.02849	2.0
125.02377	1.2
129.05864	0.9
133.02838	2.6
134.03615	3.3
135.04468	4.4
143.03448	1.6
149.04439	2.3
159.74065	1.0
161.04428	7.1
162.03149	1.1
173.04523	6.6
175.04951	1.2
181.81908	1.0
187.13354	3.5
191.05522	5.6
192.05885	1.7
193.06059	1.9
203.05499	1.1
221.06581	1.0
231.10245	2.9
232.10622	1.7
233.10771	2.0
239.07320	1.1
253.14391	2.2
275.09262	5.3
276.09521	4.6
277.09741	8.1
278.10257	1.3
279.06631	1.1
331.17606	8.8
349.18643	16.5
350.19043	2.5
391.19568	7.4
393.13358	2.4
420.43109	1.0
433.12784	5.0
451.14206	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	451.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.6
57.03320	0.8
58.00465	0.8
59.01250	100.0
59.08432	0.5
60.01585	1.2
67.01777	0.6
69.03328	0.7
70.14859	1.5
70.15262	0.8
71.01250	15.2
72.99203	1.7
73.02811	8.1
75.00758	0.6
78.95752	0.6
83.01276	2.9
85.02819	5.9
86.37762	0.5
87.00757	2.3
89.02316	10.8
93.03323	3.8
94.03684	1.1
95.01264	1.0
96.95863	1.1
97.02829	0.6
98.19820	0.5
99.00771	1.0
101.02321	16.3
102.64311	0.4
105.03344	1.1
109.02867	0.7
111.04424	1.0
113.02329	6.1
118.08172	0.4
119.03384	4.6
121.02904	1.1
125.02335	1.2
127.03952	0.6
131.03380	0.9
133.02814	2.7
134.03690	4.2
135.04456	2.7
136.04004	0.7
137.02394	1.2
138.03110	0.6
141.09175	1.1
143.03404	1.7
149.04463	1.3
151.11105	0.6
153.01814	0.6
155.03465	0.7
155.50549	0.5
157.03867	0.6
157.65018	0.6
159.02977	0.6
161.04446	6.0
162.03146	0.9
173.04504	5.5
174.03394	0.5
174.04851	1.8
175.05037	1.0
176.71332	0.6
178.02573	0.9
179.03505	0.7
179.05562	1.7
187.13319	3.8
191.03812	0.8
191.05530	5.7
191.07100	0.6
192.05875	0.9
193.06129	0.8
221.06555	0.8
229.08501	0.6
231.10344	2.3
232.10603	1.7
233.10980	2.2
239.07143	0.9
253.14571	2.2
275.09207	5.0
276.09561	4.5
277.09808	9.0
278.10275	0.6
331.17575	7.7
331.21216	0.9
332.17908	1.2
342.65381	0.6
349.18652	15.2
350.19162	1.8
391.19702	5.1
393.13669	0.7
433.13077	2.3
451.15109	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53866	0.7
55.01741	0.8
57.03318	1.1
58.82838	0.6
59.01251	23.8
60.01569	1.6
61.01661	1.0
66.03342	2.6
66.60793	0.7
67.01743	1.9
69.03310	1.8
70.02843	0.7
71.01259	5.2
71.30084	0.8
71.30411	1.0
72.99151	0.9
73.02809	1.2
80.88758	0.6
81.02062	1.8
81.03322	1.2
82.02833	3.1
83.01257	3.1
83.04897	1.2
84.04404	1.3
85.02811	2.7
87.00745	2.2
89.02305	1.2
93.03333	10.1
94.02856	7.1
94.03675	3.4
95.04858	1.2
96.04424	27.4
96.95878	1.1
97.02819	0.9
98.02337	2.5
99.00748	3.5
101.02311	1.7
104.47182	0.8
106.06465	0.8
107.04878	1.1
108.04428	0.8
109.02811	1.0
110.02348	1.2
111.04456	1.4
112.03934	1.7
113.02303	1.3
119.04923	1.1
120.04445	1.3
121.02808	1.1
122.06015	0.9
124.03940	6.2
133.02818	2.7
134.03673	8.4
134.05952	1.6
135.04500	5.2
136.03925	5.2
137.02328	1.7
138.05498	0.8
144.04431	1.5
146.09581	1.0
149.02299	1.1
150.05499	6.5
155.03395	1.7
157.03798	0.9
159.11667	0.9
161.02361	1.5
161.04472	0.8
162.03169	3.7
162.05457	5.9
162.12828	3.3
163.03465	2.4
164.03671	1.4
164.14357	21.0
165.14658	1.0
168.06567	1.0
172.11238	0.9
173.04468	12.0
174.04820	5.4
175.04936	4.4
177.01784	1.6
177.05476	0.9
178.02364	2.0
179.05612	0.8
180.06578	4.5
188.03546	0.8
190.10652	1.3
190.12300	20.9
191.05507	4.8
191.12630	0.7
192.05852	1.6
193.05962	1.2
198.07602	1.3
206.04556	1.2
207.14990	1.2
208.13359	100.0
209.13652	5.1
230.15424	3.7
232.10519	1.2
234.14912	1.2
241.12231	0.7
245.08179	0.9
248.16592	3.1
274.14526	2.3
275.09140	6.0
276.09637	7.0
276.15961	1.3
277.09805	11.3
278.10175	0.8
292.15549	2.7
309.18015	3.5
325.19458	0.8
335.16122	10.7
336.14294	6.0
341.18951	0.9
353.18112	4.6
371.19635	1.7
377.20853	3.6
389.20764	2.0
403.18890	5.4
404.18887	0.8
407.21744	2.5
415.18912	4.0
421.19885	1.4
433.19775	4.8
451.15472	5.4
451.20868	55.0
452.15948	0.8
452.21313	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	451.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.4
57.09688	1.0
59.01249	100.0
60.01560	1.9
71.01253	19.5
71.13457	2.3
72.63491	1.0
72.99176	1.3
73.02821	8.3
73.26334	0.9
75.00761	1.4
83.01257	3.4
84.43891	1.0
85.02832	8.2
87.00757	2.3
89.02319	12.6
93.03325	8.5
95.01276	1.9
96.95863	1.7
99.00755	2.9
99.04388	1.1
101.02319	14.9
109.02873	1.3
109.22736	1.0
111.04402	2.9
113.02324	7.5
119.03387	4.2
121.02843	2.3
121.17446	1.0
123.00798	1.1
125.02341	1.7
133.02846	5.8
134.03644	13.8
135.04398	4.6
137.02327	4.0
139.03954	1.4
149.04454	0.9
151.82681	0.9
155.03381	1.3
159.04416	3.9
161.04434	3.2
166.11526	1.0
173.04433	10.9
177.01932	2.2
178.02629	4.4
179.03413	1.5
187.03874	2.0
187.13324	3.9
191.05524	25.2
192.05879	1.3
203.03377	1.2
203.07034	1.3
215.07088	1.6
233.08037	0.9
247.06030	2.0
259.05957	1.2
271.01410	1.0
277.07220	1.4
278.10297	10.7
289.07162	2.2
311.09818	2.5
331.17682	10.1
332.17801	1.2
349.18655	9.0
350.18878	1.5
356.98352	1.0
391.19620	7.6
451.12561	1.7
451.21585	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	451.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80116	0.4
52.29649	0.3
59.00981	0.6
59.01252	7.7
67.01750	0.8
69.45828	1.0
69.46228	3.2
71.01260	2.6
73.02819	2.0
83.01253	0.9
84.04386	0.6
85.02813	0.7
87.00761	0.7
89.01756	0.6
89.02314	8.7
90.96489	0.5
93.03365	0.6
95.01179	0.5
95.04899	3.0
101.02312	1.8
108.04446	0.8
109.06483	0.7
113.02335	1.1
120.04448	0.6
122.06004	1.5
123.03139	1.8
126.01865	0.6
131.03386	2.0
134.03531	0.6
134.06006	2.3
135.04442	1.0
136.03958	1.3
136.07584	9.7
137.02359	0.6
137.07924	0.5
138.05501	8.6
139.05867	0.5
149.04462	36.3
150.05493	1.7
152.07097	3.7
160.18645	0.4
161.04417	0.6
161.07111	5.5
173.04373	1.0
189.07893	0.6
191.05537	2.0
192.05954	0.4
203.09506	2.4
207.65375	0.5
208.91452	0.4
213.06575	1.1
214.12331	5.5
227.08267	3.1
228.09007	5.0
229.09589	0.5
232.13464	2.3
233.11078	0.8
241.09723	0.6
242.10541	8.5
243.10872	0.7
246.12604	1.2
247.13377	0.8
257.12936	100.0
258.13293	8.1
275.09244	1.2
275.14014	21.5
276.09351	1.0
276.14365	1.6
277.09891	1.2
283.10870	14.8
284.11197	1.6
301.11908	2.0
319.13147	2.2
331.17505	0.8
349.18613	1.5
433.16290	0.6
451.17081	3.8
451.25385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00974	1.4
59.01247	5.4
62.61135	1.3
78.95770	5.5
83.11202	1.2
90.75182	1.3
93.03315	2.0
95.04904	6.7
96.95898	2.0
111.73430	1.2
121.10139	6.0
149.09592	2.7
152.99510	3.6
156.90396	1.5
158.84586	2.5
158.99704	1.3
174.99150	3.3
226.01445	2.1
227.01927	1.4
227.06056	2.2
253.21747	3.6
254.22035	5.3
265.03909	3.8
269.07068	10.9
270.00607	3.0
275.20001	1.8
279.05423	2.4
283.08530	1.7
321.10159	1.6
354.10019	4.2
391.18015	100.0
392.18240	8.8
393.41620	1.4
414.31998	1.2
451.11182	2.2
451.26114	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	451.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
62.59331	0.7
64.43366	0.7
68.11674	0.8
69.75222	3.6
69.75624	1.2
70.08111	0.7
78.95766	0.9
79.95590	0.9
85.02829	6.1
87.00718	1.8
93.03332	2.9
96.95886	53.3
98.19852	1.0
103.49742	0.7
111.04420	0.9
127.03872	1.7
134.03607	1.0
135.04405	19.8
141.32068	0.7
161.02370	1.9
167.47160	0.9
173.04497	2.9
179.03406	16.7
185.26682	0.7
191.05531	100.0
192.05887	3.4
293.42474	0.9
323.54245	0.7
353.08743	39.2
354.09109	2.4
389.94702	0.7
414.18567	1.0
417.68900	0.9
451.09079	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.1
71.01241	1.2
78.95763	0.7
90.33206	0.4
97.04948	0.4
102.09142	0.4
132.98074	0.7
152.99402	0.8
156.90190	0.7
164.08344	0.7
174.99150	3.8
177.09131	1.7
180.61115	0.4
190.09908	1.8
192.11472	1.0
204.11493	0.8
205.12306	1.6
218.09346	0.7
220.14633	13.0
221.15388	7.8
222.15805	0.7
236.10513	4.0
250.03300	0.5
261.14511	0.4
265.03918	0.8
271.90036	0.4
278.01025	0.9
279.09143	0.8
280.06235	1.1
291.05826	0.4
292.06390	1.5
293.07065	1.2
295.12244	1.3
304.06326	1.4
306.07703	1.7
307.04947	0.6
309.10123	1.2
312.02487	0.4
319.05145	1.9
319.93704	0.4
321.10153	1.5
334.07321	100.0
335.07773	10.4
337.13297	7.6
338.13712	0.6
351.11203	5.7
352.11847	0.7
381.12378	1.6
391.14374	16.0
392.14685	1.5
394.00241	1.2
451.34750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19516	0.9
59.01249	14.3
66.30074	0.7
69.03333	0.8
69.47371	4.6
71.01246	8.4
73.02818	3.8
83.01259	1.2
84.04420	1.1
85.02808	1.4
87.00748	0.8
89.02316	12.8
93.03323	3.0
95.04878	1.1
96.43410	0.7
97.06368	0.8
98.19754	0.8
101.02299	2.1
101.89954	0.7
112.03922	11.2
113.02312	0.9
120.04438	8.0
121.02879	1.3
121.05228	8.7
122.06012	19.6
123.03157	13.6
123.04372	1.3
124.03948	13.2
126.01849	0.8
129.26610	0.7
131.03403	2.4
131.43240	0.8
133.96899	0.7
134.02074	0.8
134.03601	1.8
134.06015	2.3
135.04427	1.2
135.06715	1.0
136.05299	1.8
136.07578	78.1
137.05981	14.2
137.07915	2.6
138.05499	100.0
139.05829	3.4
140.07056	3.7
143.04535	1.3
148.07660	1.0
149.04462	28.9
150.05463	2.5
155.03520	1.0
171.11441	1.0
173.04446	3.8
181.05017	0.8
182.04491	6.9
183.05157	2.1
184.06079	17.6
185.06329	1.2
191.05524	3.6
214.12378	3.6
215.04311	0.9
225.07744	1.0
230.11801	0.9
241.09836	1.0
242.10449	3.7
257.12921	45.0
258.11011	5.6
258.13409	3.3
275.13977	3.8
277.07193	0.9
301.11935	16.9
302.10370	1.2
314.08444	0.8
319.09576	1.0
319.12991	7.4
319.21423	1.7
320.84106	0.9
433.16309	3.0
451.16965	6.9
452.17426	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08531	0.7
59.01250	15.6
60.01593	0.7
67.01759	1.0
69.03310	1.0
69.53780	1.4
69.54190	3.6
71.01261	5.4
73.02810	3.1
77.20235	0.7
81.03326	0.7
84.04406	0.9
85.02821	1.8
87.00763	1.6
89.02315	14.7
93.03344	2.2
93.06963	1.7
95.04915	1.6
96.95895	1.2
101.02314	2.7
103.03851	0.8
110.02341	3.5
111.03168	0.7
111.04418	1.2
113.02334	1.2
120.04448	4.2
121.05209	3.1
122.06018	5.3
123.03168	1.9
124.07565	1.0
131.03398	4.3
133.02902	1.2
134.03647	1.0
134.06015	6.8
135.04408	1.9
136.07576	100.0
137.02354	0.7
137.07907	2.7
138.05505	28.1
139.05853	0.9
140.07074	11.3
149.04457	66.9
150.04691	1.2
151.06319	6.3
152.07019	2.3
161.04477	1.3
161.07095	1.1
162.05551	0.7
164.07166	1.0
168.06520	2.1
169.09146	0.6
173.04556	3.5
179.03442	1.0
180.06575	5.9
188.07014	1.5
189.07938	2.2
191.05544	2.2
191.09399	1.9
193.06013	1.0
203.09460	4.6
204.10127	1.1
213.06691	1.4
214.12294	2.1
216.10240	0.9
227.08232	1.5
228.08975	10.0
229.08960	1.0
231.07779	0.8
232.13272	4.2
233.10902	0.8
242.10600	4.8
246.10088	1.7
247.10852	0.9
257.12915	46.0
258.13278	3.7
267.08105	0.9
271.15610	1.3
275.09430	1.3
275.14017	30.9
276.09549	1.1
276.14319	2.4
277.09799	2.2
283.10864	42.3
284.11234	3.4
300.02686	0.8
301.11996	2.6
312.10779	1.9
319.12955	26.7
320.13370	2.3
433.16074	3.3
451.17111	17.8
452.17432	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	449.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09014	0.4
57.78339	0.4
59.01248	1.3
69.88786	1.6
78.95773	5.4
106.12427	0.3
110.98405	3.8
152.99492	1.4
167.01031	2.4
185.02122	2.6
277.10574	0.3
281.24838	100.0
282.25204	8.1
392.58917	0.3
449.26752	6.1
449.32663	1.2
450.26947	0.8
462.58292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2881
Annotation	Chaksine
Peak:m/z	Relative Intensity
50.47980	0.2
59.01254	1.2
70.87281	0.5
93.03323	0.2
96.95875	1.0
98.19800	0.3
119.05727	0.2
159.40453	0.2
165.01801	0.3
165.12764	0.3
173.04427	0.4
177.12813	0.3
179.03551	0.2
180.04204	0.2
181.12225	0.4
183.13835	18.0
184.14207	1.1
191.05400	0.3
195.13840	15.7
196.05333	0.2
196.14165	0.9
197.69157	0.2
211.07559	0.4
211.13411	0.4
213.14900	100.0
214.15244	5.1
223.13100	2.5
233.11630	0.5
235.13083	3.1
237.10860	0.5
251.11136	0.2
253.08809	0.3
253.12970	0.4
267.12189	2.2
275.09033	0.2
279.12125	2.1
389.25461	0.2
407.26132	0.2
417.25195	0.2
419.26740	0.7
431.26749	0.2
447.26251	0.4
449.15942	0.8
449.28671	27.3
450.28943	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	451.0533
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71495	0.5
59.01247	1.0
63.99182	0.6
71.01238	0.8
71.44548	1.2
72.99185	1.3
74.28591	0.6
79.95614	1.8
85.02822	3.1
87.00744	1.2
93.03329	1.9
96.95889	100.0
109.02847	0.6
112.69276	0.6
125.02375	0.8
127.03940	0.9
133.64311	0.6
136.74289	0.6
158.40736	0.6
159.04462	1.6
161.02371	1.1
171.81561	0.6
173.04456	1.4
179.03502	0.8
191.05542	43.0
192.05869	1.9
203.06981	0.7
275.98697	0.7
353.08685	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	451.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90800	0.7
59.01236	1.5
64.95268	0.8
70.54918	1.9
71.01247	0.8
78.95770	1.6
85.02821	5.8
87.00739	1.5
93.03326	2.9
96.95883	19.5
111.04384	1.8
127.03885	3.1
135.04407	14.6
159.04413	1.6
161.02371	2.2
173.04485	3.2
179.03415	13.8
180.03819	1.0
191.05530	100.0
192.05865	2.7
203.03471	0.8
227.37727	0.8
248.22661	0.9
259.06354	0.7
259.09360	1.6
322.47495	0.8
353.08771	19.9
354.09225	2.5
367.89008	0.8
394.92215	0.7
408.18201	0.7
451.08923	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.9
57.03325	2.9
58.00463	2.2
59.01249	98.9
60.01575	0.8
67.01757	0.7
67.18808	0.8
71.01249	22.1
71.37951	1.8
72.99180	2.2
73.02821	1.5
83.01256	1.6
83.04906	1.3
85.02823	7.0
87.00764	1.2
89.02315	22.1
93.03333	4.0
95.01237	2.1
95.04922	0.7
97.02856	0.8
99.04392	9.5
99.79237	0.8
101.02328	10.3
109.06441	0.7
111.04382	1.3
113.02338	6.6
119.03383	7.3
134.03606	1.4
137.02333	1.0
161.04430	0.9
165.12793	5.4
172.05087	0.8
173.04469	6.5
179.05528	1.4
186.28185	0.7
187.07521	2.1
189.12717	1.1
191.05505	14.4
207.13840	10.6
209.11766	32.0
210.12137	1.1
213.09134	4.3
215.06989	1.5
225.14880	12.5
227.12885	0.9
231.10219	4.5
251.12842	7.6
257.08215	4.4
257.91260	0.9
269.13922	100.0
270.14182	6.2
275.09244	9.0
276.09720	0.9
287.14954	2.0
384.25510	0.7
389.17929	0.9
431.18588	0.8
436.56302	0.8
449.20245	89.5
450.20654	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45657	0.4
57.03328	1.1
59.01245	10.3
60.99181	2.1
67.01757	7.1
69.03320	1.6
69.57166	3.0
71.01252	7.3
72.40438	0.4
72.99187	0.4
73.02823	1.1
77.44530	0.5
81.03335	1.5
83.01273	0.5
83.04887	2.2
85.02843	2.8
87.00742	7.1
89.02314	4.0
93.03331	46.6
94.03679	1.7
95.01299	0.6
97.06484	1.3
99.00762	1.1
101.02301	4.6
101.02902	0.4
105.03355	1.1
109.02808	1.0
111.00751	0.6
111.03637	0.5
111.04397	8.4
111.05131	0.7
112.04790	0.4
113.02320	2.4
117.03339	0.6
118.22942	0.4
119.03403	0.9
127.03938	0.8
129.01814	1.3
131.03333	0.4
132.02048	0.9
133.02840	4.5
134.03625	33.0
135.04448	7.5
137.02327	4.1
143.03418	1.1
145.02837	2.2
149.02350	0.7
151.03873	0.8
155.03407	5.3
160.01572	1.1
161.02367	6.5
161.04414	2.4
162.03127	24.6
163.03587	1.2
173.04465	74.6
174.04829	3.0
176.03929	3.0
177.01785	2.4
178.02615	1.5
179.03458	2.0
179.05482	1.0
183.13818	12.9
184.14140	0.6
191.05540	12.3
192.05899	0.6
195.13837	11.5
196.14165	0.9
211.13318	1.3
212.13655	0.9
213.14896	100.0
214.15225	6.9
231.10188	4.6
253.09244	19.1
254.09506	1.3
257.08212	0.7
275.09235	61.8
276.09555	5.9
308.09055	0.6
351.07233	0.8
352.08075	1.1
449.14484	17.7
449.27725	1.4
450.15060	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	449.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.0
67.01766	0.9
69.03313	1.6
69.45742	2.8
69.46156	1.4
71.01245	2.0
73.02800	1.0
81.03333	0.8
83.04883	1.6
85.02816	10.4
87.00743	7.9
93.03328	7.2
98.20509	1.2
109.02844	2.7
111.04391	5.2
111.22251	0.5
127.03881	2.0
129.01820	1.1
134.03650	0.6
137.02312	1.1
138.04910	0.5
146.03639	1.1
149.05951	1.7
151.07523	0.7
155.03439	3.7
158.03650	1.0
159.04425	4.9
161.84688	0.6
169.39322	0.6
172.05197	7.5
173.04456	11.7
173.05981	9.8
174.06720	1.7
175.04025	0.6
175.07501	1.2
182.03737	0.7
183.04413	1.7
184.05170	1.4
185.09610	0.8
187.04008	5.4
187.07567	52.3
188.07953	2.8
191.05531	100.0
192.05887	3.6
197.06088	0.9
198.06796	1.3
199.03897	1.0
200.04674	3.6
201.05492	10.0
201.09184	1.0
202.06268	18.4
203.06738	0.9
203.10727	1.3
204.04240	0.9
211.07600	1.1
213.09149	15.0
214.09430	1.1
215.07060	17.6
216.07661	2.6
227.03477	1.3
228.04109	0.9
229.08667	8.2
230.09387	1.4
231.06697	8.4
231.10210	32.6
232.03665	0.9
232.10521	2.1
247.09663	0.7
257.08170	12.5
258.08539	1.1
263.31989	0.6
275.09235	57.7
276.09567	4.5
389.21710	0.7
449.14536	9.7
450.15274	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98862	0.9
57.03326	1.1
59.01241	6.8
60.99174	2.0
67.01759	8.7
69.03337	2.5
71.01246	6.7
71.45323	1.6
71.45699	0.9
73.02840	1.1
73.65479	1.0
76.63917	0.8
81.03320	2.3
82.24083	1.1
83.04887	2.9
85.02827	4.9
87.00743	9.7
89.02330	1.3
93.03329	60.0
94.03666	1.3
95.40701	1.0
97.02780	1.1
97.06452	2.0
98.75938	1.2
101.02308	1.2
105.03329	2.6
106.04137	1.3
108.02073	1.8
109.02834	1.9
111.00745	1.6
111.04400	14.0
116.46624	1.1
117.03342	3.3
121.02821	2.9
124.01527	2.7
125.02329	2.5
125.17020	1.1
126.03065	1.6
127.03859	1.7
129.01849	1.6
133.02846	26.1
134.03625	61.9
135.04414	45.8
137.02335	22.5
139.03894	7.2
150.03110	3.8
151.03882	5.7
154.30128	1.0
155.03423	7.5
160.01558	4.5
161.02356	2.0
162.03061	3.5
163.03693	0.9
173.04460	100.0
174.04808	4.2
174.06752	1.0
177.00435	1.7
177.01848	17.0
178.02632	32.4
179.03436	7.6
180.04123	2.2
191.05524	45.6
192.05881	1.9
202.06378	1.0
231.10249	7.4
257.08121	3.5
275.09232	49.5
276.09586	3.4
287.13922	3.2
307.08249	2.2
308.08984	12.3
351.07007	1.6
352.07999	17.5
353.08130	1.7
449.14490	22.1
450.14886	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	448.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85885	0.3
57.03320	0.8
57.20967	0.3
57.22064	0.3
59.01250	31.5
60.01579	3.0
60.01823	0.3
61.01674	2.5
61.98701	100.0
62.14676	0.3
71.01253	6.0
71.57899	0.5
72.01595	1.4
73.01678	0.7
73.02826	1.7
82.24187	0.3
83.01293	0.7
83.04902	0.8
83.10122	0.3
85.02814	1.9
87.00790	0.8
89.02311	4.7
89.93781	0.3
90.02658	0.8
91.02742	0.7
92.14186	0.3
93.03339	1.2
99.00765	0.4
101.02331	3.7
102.02674	1.0
103.02781	0.6
111.04410	0.9
113.02316	2.4
114.02679	0.5
115.02754	0.5
119.03407	2.0
120.03742	0.4
125.02319	1.8
127.03937	0.5
134.03639	0.4
135.04390	0.7
137.02306	0.5
137.75127	0.3
138.06703	0.5
139.07141	0.3
143.03476	0.4
147.04454	0.3
148.67122	0.3
151.00276	0.5
151.07591	0.5
152.08145	0.6
153.09158	2.0
154.09480	1.6
155.03377	0.7
155.09619	0.5
156.09918	0.5
158.03670	1.0
159.03192	0.4
159.04422	1.7
161.04495	1.1
161.05817	0.4
162.04810	0.5
163.04854	0.6
173.04489	2.9
173.05991	1.8
174.06810	0.8
175.07600	0.7
179.05582	0.8
180.05762	0.4
181.05971	0.6
187.03944	0.7
187.07584	5.5
191.05537	7.7
191.07118	0.6
202.06380	1.4
203.10635	1.8
205.12292	0.8
206.12663	0.8
207.12793	0.4
213.09219	0.9
215.07147	0.4
223.13454	1.0
224.13739	1.1
225.13879	0.4
231.10274	2.7
257.04553	0.6
257.08374	0.3
259.06195	1.4
269.04575	0.9
275.09256	17.1
354.31854	0.3
386.19180	0.5
388.19675	2.8
449.14835	1.3
449.20096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38599	0.9
59.01250	61.0
67.01763	2.2
69.03336	1.0
69.59200	6.8
71.01266	5.3
73.02810	3.3
75.00742	4.7
83.04911	2.0
85.02834	9.5
87.00754	2.6
89.02308	2.4
93.03326	12.2
97.06482	2.5
98.20512	1.3
101.02316	4.7
105.03342	3.3
109.02847	1.0
111.04403	4.3
113.02344	3.3
117.03332	1.9
127.03937	2.0
127.07509	1.3
133.02835	7.2
134.03616	11.8
135.04422	5.3
137.02321	2.0
148.05165	8.0
155.03397	3.7
161.04402	1.7
162.03105	2.4
167.10646	2.5
172.05194	1.8
173.04477	21.0
173.05867	1.1
174.03145	1.7
174.06749	1.8
177.01854	2.4
178.02611	2.8
180.04224	1.5
181.04889	1.3
183.04373	1.1
185.11823	2.1
187.07558	5.7
191.05536	100.0
192.05884	2.8
201.09299	1.2
202.06302	1.8
203.10728	20.8
213.09135	8.6
214.09541	1.0
215.07088	1.8
229.08617	4.8
231.06581	2.1
231.10217	28.1
232.10593	2.6
247.09717	2.6
257.08179	29.1
258.08472	2.7
275.09250	73.7
276.09521	6.1
329.16165	2.7
347.17276	1.2
389.18283	1.4
449.14572	19.1
449.23813	1.4
450.14853	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32852	0.8
50.82894	0.8
53.65620	1.1
55.01743	1.1
59.01248	100.0
61.99649	0.9
66.62292	0.8
71.01247	14.4
71.58176	1.6
71.58549	0.9
73.02829	4.7
78.41176	0.9
78.95792	1.5
84.33974	0.8
84.93415	0.7
85.02825	5.6
87.00744	1.0
89.02303	5.6
93.03333	1.5
96.96846	3.2
99.00730	0.9
101.02324	7.3
109.07597	0.9
113.02356	4.6
119.03414	2.5
137.09584	5.7
153.09094	2.0
159.02921	1.3
161.04466	7.4
172.05266	1.0
179.05669	1.3
189.12753	1.6
191.05539	3.9
207.13956	0.9
225.14920	3.4
229.08771	1.1
297.12711	0.9
317.45370	1.0
387.20209	8.4
388.41586	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41823	0.2
51.62091	0.2
52.91084	0.2
59.01254	1.1
71.07047	0.4
78.95776	4.8
94.45580	0.2
110.98408	4.5
152.99518	0.4
167.01071	2.9
185.02133	3.6
191.73648	0.2
261.22141	0.7
279.23270	100.0
280.23618	10.6
280.26746	0.4
381.15155	0.2
386.68552	0.2
405.08514	0.2
447.25128	3.9
448.25583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46993	0.5
53.95823	0.4
55.01753	2.4
56.99718	0.5
57.03315	1.2
58.00465	3.8
59.01247	99.5
60.01593	1.1
63.10698	0.5
69.03318	1.8
70.40328	0.5
70.57530	2.1
71.01249	67.4
72.01591	0.9
72.99167	3.6
73.02817	25.1
74.03157	0.5
75.00753	0.5
81.03331	0.7
83.01260	3.8
85.02817	10.1
87.00768	2.8
88.76191	0.5
89.02312	100.0
90.02670	1.7
95.01258	2.6
97.02824	1.9
99.00751	24.1
101.02317	43.6
113.02323	17.6
114.02663	0.7
115.03915	1.0
119.03387	17.2
119.04234	0.9
125.02331	5.0
127.37199	0.4
131.03383	16.6
143.03386	3.3
149.04454	50.2
150.04822	1.0
153.12782	0.8
161.04456	4.7
173.04393	0.6
179.03984	0.8
179.05524	7.0
181.12361	0.5
191.05524	13.3
192.05795	0.5
193.24936	0.5
199.13309	1.1
211.13333	2.3
215.68187	0.6
221.06619	1.6
233.06616	1.5
251.07680	2.3
315.18073	0.6
387.20276	0.8
405.21216	2.0
444.84930	0.6
447.22293	37.7
448.22861	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	447.2234
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01760	2.5
55.01989	0.4
57.03324	1.4
58.00472	1.2
59.01249	58.8
60.01590	0.5
61.78233	0.3
69.03306	0.4
69.43895	2.8
71.01254	27.0
72.01598	0.5
72.99184	1.4
73.02817	17.5
74.03156	0.6
75.00753	0.6
82.98379	0.4
83.01253	6.1
83.01711	0.5
85.02823	9.0
85.06458	4.0
87.00755	3.4
89.02314	8.8
91.24601	0.3
93.03371	0.4
95.01250	2.1
97.02867	0.6
97.06467	1.1
99.00751	5.1
101.02319	23.9
113.02327	10.0
113.09624	0.8
115.19081	0.4
119.03394	3.2
123.52168	0.3
125.02345	0.7
131.03415	0.9
132.21021	0.4
143.03415	1.4
149.04453	0.6
153.12770	1.0
155.14319	12.7
156.14630	0.6
159.02959	0.5
161.04472	2.8
173.04425	0.6
179.05518	0.5
179.14294	0.3
181.12291	1.0
181.15887	5.0
183.13858	0.5
199.13326	23.2
200.13753	1.2
209.15382	0.5
225.14900	6.1
240.85580	0.4
253.14459	0.5
369.19623	0.4
387.20218	13.5
388.20737	1.8
405.21280	25.4
406.21478	2.3
429.21207	0.9
442.64346	0.4
445.52100	0.3
447.22318	100.0
448.16483	0.6
448.22675	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	447.2232
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01752	7.1
57.03316	5.3
58.00455	2.7
59.01249	61.3
69.03322	2.6
71.01250	100.0
71.45301	1.1
72.01604	1.3
72.99181	2.6
73.02815	36.6
74.03153	0.8
75.00748	2.4
81.03323	0.8
83.01255	12.8
84.02016	1.1
85.02818	37.3
86.03138	0.8
87.00757	4.3
89.02315	39.1
90.79835	0.7
91.31483	0.7
95.01267	7.0
97.02814	4.2
99.00757	21.3
101.02318	60.7
102.02614	0.8
109.08900	0.6
111.00720	1.0
113.02324	35.7
114.02645	0.7
115.03879	2.4
118.22552	0.7
119.03368	6.3
125.02358	7.1
129.01820	1.6
131.03380	6.3
143.03386	6.3
149.04466	8.3
159.02901	7.6
161.04456	60.2
162.04872	1.2
179.05539	0.8
191.05542	3.2
205.03398	1.0
211.13405	3.7
226.94298	0.8
233.06630	5.3
272.54593	0.7
293.08798	1.6
315.18069	39.3
316.18454	3.2
324.76785	1.0
348.10281	0.7
405.20547	0.7
446.01202	0.6
447.22308	96.7
448.22614	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.7
57.02403	0.5
57.03321	1.4
58.00465	3.5
59.01248	100.0
60.01576	0.9
69.03329	1.0
69.38891	4.5
71.01250	73.9
72.01600	1.0
72.99178	3.8
73.02817	29.4
75.00756	1.0
81.03306	0.6
83.01254	6.8
85.02825	10.0
87.00735	2.3
87.86174	0.4
89.02313	98.9
90.02660	1.4
95.01278	2.2
97.02842	1.6
99.00754	23.6
101.02321	49.0
102.02694	1.1
107.44936	0.5
113.02330	17.4
115.03885	0.6
117.39750	0.5
119.03390	18.0
125.02373	4.4
127.11293	0.6
131.03387	17.2
131.04373	0.9
133.01350	0.5
139.11101	0.6
143.03410	3.6
149.04454	50.9
150.04814	1.2
153.12758	1.4
161.04456	7.3
179.05534	6.6
191.05524	12.9
199.13382	2.2
204.14613	0.5
211.13362	1.6
221.06641	2.1
225.14967	1.3
233.06633	1.0
251.07680	3.0
293.08517	0.5
315.18054	0.7
355.67145	0.5
387.20355	2.7
405.21234	5.1
406.21811	0.7
447.22314	53.5
448.22733	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	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	6.0
57.03315	4.8
58.00463	2.2
59.01248	48.5
65.90753	0.5
67.01799	0.4
69.03321	1.4
69.49003	3.6
71.01250	90.5
72.01588	0.8
72.99181	2.3
73.02816	34.3
73.30692	0.5
74.03159	0.5
75.00743	2.3
81.03337	0.7
83.00773	0.3
83.01252	11.0
85.02820	35.0
85.99963	0.8
86.03152	0.5
87.00751	4.0
89.02315	28.2
93.03339	0.9
95.01263	6.8
96.27686	0.5
97.02818	3.3
98.03236	0.4
99.00753	14.9
101.02318	56.2
102.02650	0.8
111.00740	0.7
113.02325	31.9
114.02670	0.9
115.03883	1.9
118.86691	0.5
119.03373	5.4
122.01405	0.5
123.14740	0.5
125.02342	4.3
129.01813	1.8
131.03386	4.2
139.41551	0.4
141.01839	0.5
143.03404	4.3
149.04465	4.8
159.02895	6.4
160.03253	0.5
161.04459	34.5
162.04839	0.6
179.03558	0.4
179.05428	0.7
183.13753	0.5
191.05566	2.0
205.03502	1.0
211.13319	14.7
212.13651	0.8
233.06522	2.2
253.09221	1.4
266.18112	0.5
293.08658	0.9
315.18094	46.9
316.18454	3.3
334.13138	0.4
447.22324	100.0
448.22711	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	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28453	0.4
57.03044	0.4
57.03311	2.3
59.01249	100.0
60.01590	1.2
67.27259	0.4
68.58714	0.4
69.94769	0.5
71.01254	9.6
71.04890	0.6
72.99178	1.0
73.02823	2.3
79.90756	0.4
80.70882	0.4
83.01262	1.1
85.02825	4.5
87.00770	1.2
89.02310	7.3
90.41068	0.5
91.01810	0.5
93.03355	1.3
95.01255	0.8
96.95875	2.4
97.02829	0.7
97.12800	0.5
99.00766	1.3
99.04420	0.9
101.02319	7.5
103.32065	0.4
107.01249	0.5
109.89986	0.5
113.02320	3.4
116.92743	1.1
119.03386	3.3
119.04895	0.6
123.04384	0.6
125.02353	0.9
135.04445	0.8
136.01581	1.0
139.07573	0.5
140.07014	2.7
141.07434	1.4
143.03415	0.9
149.04442	0.7
153.05437	0.6
155.03433	1.0
161.04462	2.5
164.01062	1.7
173.04460	2.4
179.03416	11.1
179.05608	1.4
179.14465	1.0
180.03934	0.6
181.12190	0.6
185.05957	0.8
191.05527	10.1
196.00113	1.2
199.03845	0.6
199.07675	0.5
203.93756	0.5
205.12250	0.5
207.13916	0.6
211.07574	0.7
211.13356	1.9
223.13329	1.1
225.14922	1.5
227.07141	0.8
229.05122	0.7
229.08624	5.0
240.17262	0.5
255.03011	1.1
255.06665	1.6
262.33405	0.5
267.12280	2.6
273.04327	0.6
273.07684	1.1
285.07675	4.1
315.17996	0.6
387.15833	0.8
387.20273	9.4
388.20493	1.1
441.28848	0.5
447.13110	1.3
447.18344	1.2
447.23227	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1296
Annotation	Dihydrowogonin 7-O-glucoside
Peak:m/z	Relative Intensity
59.01245	8.3
69.50428	0.4
69.50837	1.7
71.01243	1.9
73.02797	0.9
83.01196	0.4
83.04857	0.3
85.02811	1.6
85.44038	0.2
87.00715	0.8
89.02283	1.0
93.03352	1.5
98.19769	0.3
99.08799	0.3
101.02290	0.9
108.14581	0.3
111.04379	1.2
113.02298	1.0
115.03858	0.3
119.03367	0.6
123.37486	0.3
155.03363	0.8
161.04353	0.5
173.04471	1.7
181.09819	0.3
186.06775	1.2
191.05547	11.5
192.05896	0.4
199.07584	0.4
200.04762	0.4
201.09146	1.9
211.07533	0.3
211.13321	1.7
213.05441	0.6
214.06291	14.6
215.06679	1.2
223.13252	0.3
227.07048	2.0
229.08647	100.0
230.08989	7.1
240.04202	1.1
246.05301	9.1
255.06578	15.7
256.06967	1.3
267.12302	2.9
271.02570	0.5
272.03235	0.4
273.07669	16.6
274.08099	1.8
285.04083	2.6
387.20245	0.5
447.13043	20.1
447.18060	0.8
447.26184	1.2
448.13223	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	447.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.2
62.96268	1.3
71.04806	0.2
71.21627	0.4
78.95773	43.8
81.36927	0.2
96.96841	3.1
123.76806	0.2
134.44470	0.2
148.99991	20.3
149.06535	0.2
150.00330	0.3
152.99521	1.8
158.92439	1.9
179.01082	2.8
205.15886	1.7
211.13213	0.2
240.96584	0.4
267.11469	0.3
347.08142	0.5
417.12387	0.8
431.10300	2.7
447.13388	100.0
448.13733	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	447.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	2.4
59.27892	0.2
62.96275	1.6
71.21738	0.7
78.00065	0.2
78.95772	48.7
80.41660	0.2
83.26299	0.2
84.43620	0.2
88.43882	0.2
96.95867	0.3
96.96833	3.0
148.99998	21.0
150.00415	0.3
151.01591	0.2
152.99503	4.9
157.45129	0.2
158.92445	2.4
168.62224	0.2
169.38190	0.2
179.01059	2.7
201.02522	0.3
205.15898	1.6
211.13345	0.3
232.20262	0.2
240.96686	0.4
267.11569	0.6
347.08115	0.4
417.12381	0.8
431.10181	2.7
432.10526	0.3
447.13394	100.0
448.13736	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	447.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.5
57.03315	4.1
57.44147	0.8
57.59603	0.7
58.00443	1.6
59.01250	100.0
60.01593	0.9
61.98708	1.4
63.02293	0.7
67.62038	0.8
71.01252	27.2
71.04864	0.8
71.57890	1.6
72.99172	2.0
73.02831	6.2
75.00726	0.8
79.05393	0.8
83.01246	2.5
83.04887	3.0
84.34383	0.8
85.02827	7.0
87.00735	2.6
89.02313	22.3
93.03343	1.8
95.01245	1.4
96.37342	0.9
96.95898	4.2
99.00755	2.0
99.04369	4.3
101.02322	16.2
109.02873	0.9
109.06469	1.7
111.04368	1.0
113.02334	10.3
115.03896	1.5
119.03371	8.2
123.08044	1.4
125.02299	1.3
131.03438	0.8
133.02856	1.0
137.02318	2.1
137.05916	0.8
137.09579	1.3
139.07553	5.4
143.03381	2.3
145.10048	0.9
149.04466	4.7
151.03915	1.6
153.09103	3.7
155.03343	1.4
159.03009	1.1
161.04480	7.3
161.13202	1.5
163.03802	0.8
163.11246	5.4
166.98047	1.7
173.04459	2.2
179.05516	3.8
179.14330	1.2
185.06003	1.8
191.05550	17.5
200.04684	1.0
205.12227	3.2
207.10197	16.3
207.13719	1.8
211.07774	1.0
211.13271	3.7
223.00677	2.2
223.13365	6.9
224.69450	0.8
225.11331	1.0
225.14929	9.6
229.08649	4.9
249.11363	1.8
253.09236	1.4
267.12360	24.1
268.12646	1.7
273.07651	3.3
284.03229	1.6
285.03900	2.9
285.13449	1.1
315.10751	1.7
327.05008	3.6
328.05411	1.1
345.13202	1.4
355.94174	0.9
378.17764	0.9
387.15994	1.1
387.20364	5.0
447.08914	1.9
447.18616	25.9
448.18933	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	447.093
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
59.01253	2.7
63.02262	1.0
65.00195	2.1
69.82986	0.7
69.83396	1.1
71.01228	0.6
73.43653	0.3
83.01243	1.4
85.02822	0.3
90.84544	0.3
91.01768	0.4
93.03341	1.0
93.06912	0.3
101.02339	0.5
107.01258	4.5
108.02068	1.4
109.02840	3.9
111.04358	0.3
119.01263	0.8
121.02834	3.8
124.01540	0.4
135.00763	0.9
138.83536	0.3
139.11197	0.4
145.55046	0.3
148.01561	1.8
149.02354	0.6
151.00266	18.5
152.00757	0.5
153.01875	0.6
159.04405	0.8
159.28084	0.3
159.67009	0.3
161.05826	0.3
163.00298	4.8
163.03954	0.4
164.01016	1.1
169.01346	1.0
171.04456	0.5
173.05975	0.3
175.03937	0.3
178.98192	0.6
178.99780	10.3
180.00183	0.4
183.04433	1.2
183.10152	0.8
187.03905	0.9
190.99712	0.5
191.05550	2.0
193.01340	0.4
199.03934	1.4
200.04553	0.4
201.05504	0.9
203.03423	0.5
211.03951	2.5
211.13327	0.8
215.03456	1.0
216.04210	0.4
226.02623	1.2
227.03462	4.6
228.03822	0.7
229.05052	1.7
229.08766	0.4
239.03462	0.7
240.04083	0.4
243.00426	0.6
243.02956	11.3
243.12323	2.5
244.03345	0.9
245.04456	2.5
254.02222	1.8
255.02962	29.2
256.03424	2.3
257.04514	0.3
266.02225	0.4
271.02463	55.3
272.02930	5.8
273.03992	2.1
273.07004	0.4
283.02509	2.3
284.03165	1.0
299.02054	1.7
300.02725	100.0
301.03482	86.8
302.03824	5.7
343.04437	0.4
402.52441	0.3
418.34286	0.4
447.09277	75.2
448.09558	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	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07970	0.3
57.03302	0.5
59.01248	8.2
63.02264	0.5
65.00212	0.5
69.65117	0.6
69.65528	1.8
72.99163	0.4
73.02809	0.9
83.01237	0.7
85.02827	1.4
85.03899	0.4
86.97885	0.3
87.00757	0.7
89.02303	0.9
93.03321	2.0
101.00908	0.4
101.02312	1.0
107.01271	1.0
109.02816	0.6
111.04398	0.6
113.02313	0.5
117.03310	0.5
124.52612	0.3
125.02393	0.8
135.00758	0.7
137.02335	0.7
137.04062	0.4
139.11182	0.6
151.00244	2.7
153.01802	0.7
155.18105	0.4
159.04414	0.6
163.00273	0.9
169.01418	0.4
171.04480	0.4
173.04443	1.5
173.05788	0.5
174.03197	0.6
178.99889	0.5
181.12370	0.4
183.04391	1.4
183.10097	0.5
185.05920	0.8
187.03929	0.6
191.05515	6.1
200.04736	0.5
211.03888	1.7
211.13354	2.3
213.05461	0.6
227.03432	78.1
228.03841	4.8
229.05028	1.9
229.08598	2.5
239.03491	1.1
240.04070	0.6
241.04962	0.5
243.12274	0.8
253.09227	0.4
255.02950	100.0
256.03513	14.3
257.04410	1.7
273.07660	1.0
283.02545	0.7
284.03241	88.7
285.03925	26.3
286.04395	1.5
315.18170	0.9
327.05182	1.9
346.24417	0.4
447.09277	97.4
448.09592	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	445.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14925	0.3
55.91462	0.3
59.01256	1.6
64.47624	0.3
69.57504	0.6
69.57922	1.8
71.01259	0.4
78.95774	6.5
85.36961	0.3
110.98412	5.2
113.36680	0.3
126.42494	0.3
137.72610	0.3
152.43523	0.3
152.99445	0.3
167.01051	2.4
185.02138	4.4
233.22685	0.4
259.20624	0.6
269.31195	0.3
275.20258	0.3
277.21707	100.0
278.22064	10.4
315.14880	0.3
376.53592	0.3
445.23550	5.8
446.23804	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32468	0.3
59.01249	3.0
71.01254	0.6
77.36779	0.3
78.95773	18.9
99.98583	0.3
104.97339	0.8
110.98412	12.8
136.99950	0.5
152.99461	0.4
153.09058	0.4
163.71037	0.4
167.01065	17.2
176.10327	0.3
185.02113	4.1
235.54662	0.3
244.42271	0.4
259.20547	0.5
275.20016	0.6
277.21710	100.0
278.22067	9.2
278.24997	0.7
291.97318	0.4
385.18613	0.4
426.82343	0.4
445.23575	17.7
446.24063	2.4
450.97162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44822	0.4
58.59659	0.4
59.01247	100.0
60.01589	1.2
64.47422	0.4
69.77668	0.5
71.01255	1.2
71.58363	0.7
78.95767	3.9
80.09612	0.4
85.02837	0.5
89.02331	0.9
101.02335	0.6
105.03327	0.7
121.02852	0.7
133.02835	3.0
133.91811	0.5
145.06534	0.5
148.99989	6.2
151.10822	0.5
153.09123	1.3
161.04440	0.5
205.12277	0.7
205.15866	5.1
220.99802	0.4
223.13400	0.6
236.24069	0.5
246.50752	0.5
246.92188	0.6
355.16772	20.3
356.17340	2.4
377.27289	1.7
385.17953	11.2
386.18259	1.4
445.19986	2.4
445.26132	5.1
446.26111	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49377	0.3
55.01760	0.4
57.03323	2.1
57.16893	0.3
57.17192	0.3
58.00462	1.6
58.72114	0.3
59.01250	100.0
60.01588	1.1
61.86388	0.3
69.44022	2.4
71.01252	18.5
72.01601	0.6
72.99180	2.0
73.02827	1.4
81.03365	0.3
83.01252	1.5
83.04900	0.7
84.64806	0.3
85.02827	3.1
87.00726	1.5
89.02314	27.2
93.03333	0.7
95.01274	1.2
97.02869	0.5
97.06486	0.8
98.20515	0.6
98.52248	0.3
99.00753	0.4
99.04390	0.8
101.02322	19.3
102.02665	0.6
108.02094	1.0
110.93048	0.3
113.02319	6.2
114.02654	0.3
119.03384	15.6
120.03771	0.3
121.06485	0.6
123.04379	0.6
125.02351	0.6
131.03416	1.1
135.04466	0.4
137.02298	0.3
138.05545	0.7
139.07532	0.4
140.07086	2.6
143.03394	1.8
143.04407	0.3
149.04483	0.7
153.09138	0.5
161.04465	3.4
161.09494	0.4
163.11214	0.9
165.09087	1.4
167.03406	0.5
173.04518	0.4
179.05524	9.5
180.05867	0.3
187.11157	0.3
191.05580	0.7
203.10782	0.4
205.12326	1.6
209.11821	1.1
219.13988	0.4
223.13333	9.2
224.13754	0.6
224.98824	0.3
229.12372	0.8
235.13258	1.9
237.14973	2.3
247.13388	2.1
265.14438	5.0
266.14890	0.4
307.15671	0.6
361.16733	0.4
385.18784	0.5
445.20935	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	40.2
58.03653	0.7
59.01249	7.5
61.07604	0.2
69.39688	2.3
71.01254	1.2
73.02828	0.4
80.15248	0.3
81.03333	0.6
83.01278	0.7
85.02827	0.6
93.03348	0.3
98.20544	0.5
99.04391	19.0
100.04721	0.3
101.02322	6.5
102.02661	0.5
113.02338	0.5
123.03148	5.7
125.02336	8.6
138.05505	100.0
139.05850	3.8
161.04491	1.0
173.04451	0.7
177.01910	0.4
180.06659	0.3
180.14424	0.3
183.22583	0.3
191.05592	0.4
192.06593	0.6
226.08687	0.5
255.02942	0.3
270.07867	0.5
271.02487	0.6
282.09851	3.5
283.10001	0.3
299.02017	0.6
300.02603	0.7
300.10883	4.9
301.03278	0.7
301.11096	0.3
318.11884	0.3
342.11877	0.9
382.15094	1.2
431.84625	0.3
445.07526	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1353
Annotation	Paeonovicinoside
Peak:m/z	Relative Intensity
55.01000	1.1
55.01735	1.2
56.98957	1.1
57.03312	3.5
58.00472	2.1
59.01248	75.1
61.98717	1.1
66.01534	0.9
69.03324	6.7
71.01250	72.5
71.06145	1.9
72.99162	3.7
73.02811	9.4
75.00744	4.0
76.19727	1.1
81.03316	4.8
83.01247	5.1
83.04889	1.0
85.02837	7.4
87.00753	4.5
89.02312	100.0
90.02673	1.4
91.01762	8.7
93.03322	12.8
95.01260	2.4
95.04839	1.0
97.02832	11.1
99.00754	15.5
99.04401	2.6
101.02321	20.7
107.04890	2.5
109.02741	1.2
111.00757	2.6
113.02334	12.0
115.03905	5.2
119.01240	5.0
119.03371	4.8
121.02835	10.6
125.02330	48.3
126.02602	1.6
127.03906	1.4
131.03391	9.7
133.02858	1.6
135.04401	1.3
136.01563	1.3
137.02341	13.8
138.05478	4.5
138.06520	1.3
139.05876	2.6
143.03380	3.7
149.04460	14.9
151.03908	93.3
152.04272	4.5
153.09102	3.3
157.01276	1.9
161.04465	5.8
167.03427	1.7
173.04462	2.9
179.03403	2.2
179.05516	3.0
191.05534	11.0
192.05795	1.1
205.12207	1.6
209.11794	2.5
221.04521	1.1
221.11836	1.7
223.13197	1.8
233.06607	36.2
234.06915	1.3
241.14273	1.2
293.08752	24.3
294.09186	1.8
385.18414	3.4
402.66202	1.1
413.10870	1.4
445.20981	2.5
466.54016	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	39.0
58.03665	0.6
59.01250	8.3
61.98702	5.9
68.28548	0.3
69.92748	1.8
71.01257	2.4
72.99188	0.4
73.02846	0.7
74.85030	0.3
80.21740	0.3
81.03320	0.7
83.01271	0.5
85.02840	0.8
87.00721	0.4
89.02319	1.5
93.03328	0.4
96.00792	0.3
99.04395	18.1
100.04691	0.6
101.02319	7.1
105.62774	0.3
108.02031	0.4
110.02318	0.3
111.00847	0.3
113.02338	1.0
119.03381	0.5
123.03139	5.6
125.02343	8.0
135.04414	0.3
138.05502	100.0
139.05849	3.4
143.03395	0.3
149.04475	0.3
153.09102	0.4
161.02304	0.4
161.04471	1.4
167.03426	0.5
167.99245	0.3
173.04485	0.4
179.05489	0.4
191.05550	1.8
192.06606	0.9
192.65784	0.3
209.11754	1.5
282.09808	4.3
300.10867	4.3
318.11951	0.4
342.12042	1.0
382.15149	0.6
385.18726	0.4
403.19818	0.7
410.18826	0.7
444.15173	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.5
59.01249	100.0
60.01596	1.4
60.01854	0.2
61.01666	0.2
66.48685	0.2
71.01254	3.6
71.58379	0.3
73.02821	0.9
76.47729	0.3
83.01267	0.7
85.02831	1.6
86.53214	0.2
87.00766	0.3
89.02316	1.6
99.00774	0.7
101.02314	2.2
113.02326	2.4
119.03397	0.6
138.37337	0.3
152.37096	0.2
161.04497	0.5
171.10184	0.4
200.57463	0.3
204.05301	0.2
334.95020	0.3
341.53311	0.2
383.24429	0.7
401.25394	2.4
443.30267	2.8
444.30878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01574	1.1
70.33521	1.6
70.33910	1.2
83.80552	0.6
83.95969	0.5
91.03897	2.2
96.95901	1.2
99.92518	0.6
103.91911	0.6
106.30602	0.5
111.08051	1.8
117.18054	0.6
120.48071	0.5
131.44029	0.5
148.95462	0.6
162.27126	0.6
190.13147	0.6
197.11797	4.9
213.14990	1.0
217.00330	1.0
273.18939	0.7
291.19601	3.2
309.20657	10.7
443.24261	2.2
443.29791	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23191	0.3
52.36540	0.3
54.53403	0.3
59.01250	100.0
60.01591	1.5
61.01700	0.5
67.14311	0.3
71.01248	3.4
71.58418	0.5
73.02823	1.2
77.78232	0.3
83.01261	0.9
85.02824	2.6
87.00733	0.4
89.02310	0.8
94.54500	0.3
95.01236	0.4
98.00040	0.3
99.00779	0.3
101.02312	2.6
107.16895	0.3
113.02317	2.2
117.01946	0.3
121.02780	0.4
139.10757	0.3
161.04507	1.1
199.66655	0.3
280.45966	0.3
344.51590	0.3
383.24637	0.9
392.84631	0.3
401.25616	1.7
443.22632	0.7
443.30072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3376
Annotation	oscr#34
Peak:m/z	Relative Intensity
57.03325	1.2
59.01242	2.5
71.20510	2.3
86.80122	1.1
92.74641	0.9
98.17269	1.0
100.02288	1.0
111.08011	1.1
210.25204	1.1
248.37888	1.1
307.30063	98.1
308.30417	9.8
315.28738	1.1
325.31180	1.7
351.29031	45.9
352.29486	4.1
369.30072	100.0
370.30399	9.7
443.33780	55.1
444.34210	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	443.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10600	0.5
57.26011	0.5
57.66244	0.4
59.01249	100.0
60.01587	1.5
71.01239	0.6
96.95899	0.4
98.20564	1.0
101.02309	0.5
103.91930	0.8
108.16663	0.5
120.20731	0.5
174.99220	0.6
202.92802	0.7
202.98697	0.6
232.35948	0.6
245.58980	0.6
311.22491	1.0
444.34814	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	443.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77988	0.8
59.01249	100.0
61.98665	0.9
71.58241	1.1
74.36459	0.8
96.95881	0.7
97.06509	1.0
97.71491	0.8
101.02339	0.8
103.91927	1.1
108.65504	0.7
145.10063	0.9
159.21466	0.9
202.92703	1.0
251.16441	0.9
386.63995	0.9
443.29645	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14740	0.6
56.19394	0.6
59.01245	1.5
80.39934	0.5
92.99997	0.6
110.85425	0.5
118.61671	0.5
122.98322	0.6
158.89246	0.9
159.08362	3.9
159.89339	0.9
161.06337	1.6
176.65242	0.5
195.75410	0.5
217.07120	1.3
277.07510	2.4
343.12405	0.8
345.13724	1.0
357.13879	2.1
359.15335	100.0
360.15518	13.2
377.16174	1.9
427.21573	51.5
428.21722	7.0
443.24734	8.4
443.36920	0.6
444.24838	1.9
445.22327	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.3
59.01249	100.0
60.01597	0.9
62.33727	0.3
68.85943	0.4
70.23374	1.3
71.01244	3.0
73.02829	1.1
83.01263	0.6
85.02818	1.7
86.59996	0.4
89.02332	1.0
95.01269	0.4
99.00763	0.6
101.02319	2.5
111.00817	0.4
113.02332	2.3
119.03390	0.5
161.04552	0.5
173.00035	0.3
339.11197	0.4
383.24594	0.7
401.25684	2.0
443.30380	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37960	0.3
59.01249	100.0
60.01577	0.7
63.51056	0.4
65.74213	0.3
71.01254	5.8
71.35857	0.8
73.02819	2.0
83.01265	0.6
85.02814	2.4
89.02324	1.4
95.01275	0.9
99.00773	0.6
101.02318	2.8
110.39625	0.3
113.02341	2.5
119.03387	0.6
123.05422	0.4
159.02960	0.6
161.04488	2.0
193.66275	0.4
283.06430	0.4
381.13977	0.5
381.22653	0.5
399.23929	1.1
420.10599	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	0.4
59.01248	100.0
60.01587	1.2
69.31843	4.4
71.01250	10.2
72.99167	0.4
73.02818	11.1
83.01245	3.3
85.02812	2.1
87.00793	0.5
89.02312	3.7
95.01251	0.7
101.02318	8.6
106.05258	0.5
113.02319	3.9
119.03410	1.8
123.60429	0.4
131.03452	1.2
161.04506	1.5
173.04498	0.4
217.00214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2491
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
50.40014	0.1
55.01744	0.2
58.00451	0.3
59.01249	100.0
60.01584	1.0
68.68539	0.1
69.03314	0.2
71.01251	4.2
71.24030	0.2
72.99193	0.3
73.02819	1.3
82.13989	0.2
82.63596	0.2
83.01285	0.3
85.02834	1.2
87.00786	0.2
89.02305	2.2
95.01283	0.3
98.19768	0.5
99.00768	0.4
101.02303	1.8
111.70565	0.2
113.02317	2.5
119.03391	0.9
126.88028	0.2
131.03352	0.2
133.20618	0.2
161.04451	0.4
262.62833	0.2
359.05984	0.2
381.22897	0.5
399.23895	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2492
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
53.53308	0.1
55.01743	0.3
57.03333	0.2
58.00457	0.2
59.01249	100.0
60.01580	0.9
69.03317	0.3
70.87574	0.2
70.87919	0.4
71.01253	4.8
72.99192	0.3
73.02818	2.1
83.01265	1.1
85.02815	1.8
87.00753	0.2
89.02317	1.7
95.01267	0.4
97.02879	0.2
99.00745	0.5
101.02326	3.2
109.15604	0.1
113.02319	2.3
119.03373	0.7
125.02371	0.2
131.03391	0.2
159.02928	0.2
161.04488	0.8
174.12036	0.2
217.00320	0.4
257.98502	0.1
381.22900	0.4
382.56775	0.2
399.23886	1.9
400.24335	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.2
55.84327	0.2
57.03312	0.3
58.00435	0.2
59.01249	100.0
60.01574	1.2
60.12095	0.1
67.47665	0.2
69.31776	1.2
69.32178	0.4
71.01252	4.2
73.02811	1.4
83.01264	0.3
85.02822	1.8
87.00798	0.2
89.02309	1.6
90.45369	0.1
95.01271	0.3
97.02840	0.2
99.00759	0.5
101.02318	2.4
113.02316	2.0
119.03392	0.7
125.02355	0.3
131.03423	0.2
143.03444	0.2
161.04485	0.9
320.10858	0.2
399.23987	0.5
400.78528	0.2
402.31110	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01596	0.7
67.19148	0.4
67.40205	0.3
69.53381	1.7
69.53789	0.7
71.01262	1.2
73.02827	0.7
85.02830	0.6
89.02330	0.7
96.38658	0.3
98.20540	0.8
99.00754	0.4
100.47179	0.3
101.02335	0.8
113.02318	0.6
117.23680	0.3
135.57838	0.3
148.01810	0.4
161.04468	0.4
200.96016	0.3
441.28491	0.4
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
51.32541	0.7
54.81955	0.8
56.03349	0.8
59.01250	100.0
60.01580	1.0
67.10713	0.8
71.58048	1.6
90.01478	0.9
91.31532	0.8
149.05988	1.1
150.14320	0.8
172.78813	0.9
174.99100	1.4
194.92763	1.1
201.02614	1.4
209.08084	0.9
209.11812	2.0
217.00237	5.1
231.06316	1.1
276.93231	1.3
289.18121	1.5
307.19144	3.4
359.01428	2.1
441.14386	1.0
449.68835	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49331	2.2
59.01250	100.0
71.58141	3.4
73.94241	1.8
115.91935	2.0
150.46198	2.3
174.99150	2.8
194.92668	2.8
201.02515	3.9
201.11220	6.0
209.11742	18.0
213.14882	3.9
217.00273	17.0
227.12698	3.0
276.93240	4.6
289.17752	2.4
307.18930	2.9
359.01428	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	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39548	0.2
55.01761	0.3
59.01250	100.0
60.01588	1.4
61.98721	0.2
69.03339	0.3
71.01250	5.7
71.21891	0.4
71.22230	0.3
73.02816	3.1
78.91629	0.2
83.01244	1.4
83.08885	0.2
85.02830	2.1
87.00770	0.4
87.42001	0.2
89.02309	1.7
94.83003	0.2
95.01294	0.6
98.75592	0.2
99.00768	0.6
101.02319	3.8
113.02316	2.5
119.03414	0.7
125.02345	0.3
131.03354	0.3
136.21408	0.2
143.03374	0.4
161.04459	1.5
192.80887	0.2
194.09200	0.2
209.11273	0.2
217.00192	0.3
276.20663	0.2
283.06201	0.6
337.26373	0.2
381.22916	0.3
399.23889	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76050	0.6
57.03331	0.6
57.06796	0.4
59.01248	100.0
60.01581	1.1
62.06143	0.4
71.01246	8.1
73.02798	2.8
81.03336	0.5
83.01291	1.4
83.04918	1.1
85.02824	3.6
89.02322	1.8
89.38131	0.5
96.95918	0.9
98.19815	0.8
99.00766	1.1
99.04413	2.2
101.02341	4.3
113.02322	3.9
119.03413	0.7
125.02387	0.7
143.03459	0.6
152.91783	0.6
153.62866	0.5
161.04492	1.7
179.19237	0.6
198.66432	0.5
217.15936	1.3
218.89687	0.5
235.17053	0.8
242.22626	0.5
289.18143	1.3
305.42249	0.5
307.19162	1.1
311.12103	0.8
349.06464	0.8
397.22330	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	441.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94904	0.3
55.01752	0.7
57.03316	0.5
58.00465	0.4
59.01248	100.0
60.01594	0.9
65.01772	0.2
69.03311	0.3
71.01249	11.2
71.57901	0.3
72.99181	0.5
73.02818	3.8
75.00766	0.4
81.03347	0.3
83.01250	1.3
85.02821	5.4
85.03339	0.3
87.00751	0.7
89.02314	5.2
89.05970	0.5
90.66544	0.2
93.03357	0.7
95.01270	0.8
96.95918	0.3
97.02836	0.3
99.00753	1.5
100.52052	0.2
101.02316	11.1
107.33541	0.2
109.02853	0.3
113.02332	5.8
114.02639	0.2
117.04691	0.2
119.03364	2.1
121.02828	3.8
125.02344	0.4
131.03424	0.3
134.03639	1.0
135.04431	1.4
137.02322	0.5
141.24603	0.2
143.03413	1.0
149.04436	0.4
159.02917	1.0
161.02434	0.4
161.04451	6.0
163.03917	0.4
165.01817	0.2
173.04469	1.4
176.50285	0.2
178.02641	0.7
179.03450	1.5
191.05501	1.9
193.04967	1.3
199.07661	0.5
200.07860	0.4
201.08330	0.3
205.05182	0.4
205.07549	0.2
206.94728	0.2
218.08957	0.3
219.09108	0.3
233.10286	1.7
251.11322	24.4
252.11789	1.1
267.16132	0.6
281.04492	0.2
293.12399	11.8
294.12747	0.5
355.08301	0.2
356.09235	0.3
395.19171	0.3
424.19400	0.2
434.09732	0.2
441.13193	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	441.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.8
55.88546	1.5
59.01251	70.5
61.98717	2.7
62.80574	1.4
65.45880	1.4
71.01250	35.2
72.99189	2.4
73.02815	15.1
75.00753	2.3
78.25362	1.7
83.01261	12.3
85.02823	18.9
85.72343	1.6
87.00752	2.4
88.37321	1.7
89.02328	3.0
93.03351	2.4
95.48581	1.6
98.19746	3.5
99.00769	7.4
101.02322	48.6
101.02991	2.7
108.73904	1.9
113.02328	16.8
123.04408	1.7
125.02350	2.7
135.04451	3.4
143.03424	2.0
152.01154	1.7
159.02858	3.4
159.59930	1.7
161.04482	12.1
173.04471	3.0
191.05569	12.2
229.56636	2.0
235.11845	85.1
236.12231	4.6
271.53311	2.1
381.17657	100.0
382.18076	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	439.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00465	0.2
55.01754	0.2
57.03315	0.6
59.01250	100.0
60.01597	0.9
61.98707	1.1
66.58479	0.1
68.42800	0.2
69.71389	0.5
69.71801	0.5
71.01254	4.2
71.04938	0.2
72.99174	0.2
73.02818	1.5
78.17852	0.2
83.01271	0.5
83.04916	0.2
85.02824	2.3
89.02333	1.2
93.03358	0.2
95.01295	0.5
96.95890	0.8
96.96854	0.2
99.00790	0.4
101.02318	2.6
113.02320	2.1
115.00610	0.1
119.03434	0.3
125.02371	0.2
131.03355	0.2
135.04460	0.2
149.04498	0.2
159.02933	0.2
159.98816	0.1
161.02380	0.3
161.04482	1.1
163.11259	0.2
163.87021	0.2
173.04550	0.5
179.03377	0.2
191.05609	0.4
205.15953	0.2
235.13399	0.3
235.16994	1.2
277.17862	0.2
313.14862	0.2
379.21411	0.9
397.22360	2.2
398.22876	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.3
57.03326	0.3
59.01248	100.0
60.01589	1.0
69.36654	1.8
71.01254	2.5
73.02818	1.0
83.01266	0.5
85.02813	1.6
85.81770	0.2
95.01358	0.3
99.00783	0.2
101.02309	1.7
113.02331	1.2
138.75938	0.2
138.85751	0.2
161.04445	1.2
176.57423	0.2
241.98248	0.2
297.46713	0.2
315.43216	0.2
377.66425	0.2
378.82004	0.2
379.21304	0.2
397.22241	2.0
422.08765	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01587	1.3
61.01697	0.5
61.98708	1.0
67.01759	1.3
69.03321	0.4
69.84855	2.4
71.01254	3.7
72.99201	0.5
73.02824	1.2
85.02834	2.0
87.00739	0.7
89.02323	1.0
89.03869	0.6
93.03334	8.3
96.95927	0.5
101.02347	1.4
111.04411	1.4
113.02320	1.0
117.03356	3.3
121.02834	0.7
133.02858	0.8
134.03639	2.1
135.04449	1.9
137.02339	1.2
155.03398	1.1
160.01534	0.5
161.02344	0.5
173.04466	23.7
174.04852	1.0
178.02667	1.5
179.03438	0.9
191.05542	11.8
192.05844	0.7
219.10313	0.9
245.08197	0.6
263.09174	5.4
335.20810	0.9
364.17889	2.0
377.21863	0.5
395.20981	0.5
437.14752	2.0
437.24158	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01587	1.3
61.01697	0.5
61.98708	1.0
67.01759	1.3
69.03321	0.4
69.84855	2.4
71.01254	3.7
72.99201	0.5
73.02824	1.2
85.02834	2.0
87.00739	0.7
89.02323	1.0
89.03869	0.6
93.03334	8.3
96.95927	0.5
101.02347	1.4
111.04411	1.4
113.02320	1.0
117.03356	3.3
121.02834	0.7
133.02858	0.8
134.03639	2.1
135.04449	1.9
137.02339	1.2
155.03398	1.1
160.01534	0.5
161.02344	0.5
173.04466	23.7
174.04852	1.0
178.02667	1.5
179.03438	0.9
191.05542	11.8
192.05844	0.7
219.10313	0.9
245.08197	0.6
263.09174	5.4
335.20810	0.9
364.17889	2.0
377.21863	0.5
395.20981	0.5
437.14752	2.0
437.24158	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43293	1.6
69.43713	1.6
75.30481	0.3
78.95775	49.2
96.95955	3.9
96.96838	100.0
98.90066	0.4
114.96008	0.4
219.22084	0.3
220.59631	0.4
255.18863	0.5
289.94427	0.4
295.19415	0.4
296.40109	0.4
439.08527	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	439.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.6
57.03323	0.7
58.00479	0.5
59.01251	25.0
66.22800	0.3
67.18699	0.3
68.99732	0.4
71.01252	4.3
71.57340	0.3
71.57689	0.6
72.99178	0.6
73.02822	2.2
78.47520	0.3
82.53669	0.4
83.01247	1.7
85.02825	3.1
85.99960	0.4
87.00768	0.8
89.02316	0.7
93.03308	0.9
95.01258	0.5
96.95892	1.0
99.00735	0.9
101.02316	3.9
110.96256	0.3
113.02317	1.5
117.03342	24.2
118.03654	0.8
119.04913	39.6
120.05236	1.5
121.02839	3.3
123.04419	0.8
127.18992	0.3
133.02846	1.3
134.03545	0.6
145.02849	98.2
146.03200	4.1
147.04384	0.5
161.02364	0.5
162.03094	0.8
163.03914	41.0
164.04208	1.9
173.04465	0.9
174.10341	0.4
182.76416	0.3
191.05554	0.6
217.08626	0.5
235.09697	14.1
236.10069	0.5
277.10718	1.0
316.53336	0.3
319.11777	0.6
319.16464	0.4
379.13950	30.0
380.14276	2.2
384.29730	0.4
397.15002	56.7
398.15344	5.6
439.16055	100.0
440.16406	10.5
451.05872	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71627	0.2
55.94147	0.2
57.03309	0.9
58.00468	0.3
59.01248	13.0
60.01593	0.3
60.99169	0.9
61.98698	0.4
64.54543	0.2
65.03822	0.2
67.01758	4.9
69.03319	1.5
69.36010	0.2
71.01252	3.9
71.10075	0.2
71.58472	0.2
72.99183	0.4
73.02843	1.0
78.95782	0.5
81.03328	1.0
83.01257	0.4
83.04910	1.4
83.76666	0.2
85.02819	5.5
87.00748	4.5
89.02306	0.3
89.03829	2.8
93.03334	30.1
94.03665	1.0
95.01255	0.5
96.95834	0.2
97.02816	0.3
99.00758	0.4
99.04384	0.7
101.02322	0.6
108.02047	0.3
109.02837	1.0
111.00760	0.9
111.04394	5.3
113.02305	0.7
117.03343	14.2
118.03645	0.5
121.02831	0.6
121.64157	0.2
124.01555	0.6
125.02353	0.5
127.03922	1.5
129.01842	0.5
132.02072	1.7
133.02826	0.9
134.03642	2.9
135.04422	7.9
136.04724	0.3
137.01364	0.4
137.02345	4.3
139.03889	0.7
149.02382	0.3
150.03072	0.5
151.03909	0.9
152.99471	0.5
155.03386	3.1
160.01567	7.4
161.02324	0.5
162.18082	0.2
173.04465	66.2
174.04794	2.6
177.01880	0.3
178.02626	2.9
179.03413	3.0
180.03952	0.2
191.05531	100.0
192.05881	3.5
194.02011	0.2
218.15385	0.3
219.10170	3.1
220.10574	0.2
233.15472	0.4
245.08141	3.8
246.08656	0.3
263.09232	13.3
264.09491	0.9
280.12622	0.2
307.08353	0.4
308.08914	1.1
320.72781	0.2
351.07071	0.7
352.07950	1.7
437.14465	13.0
438.14795	1.8
451.93558	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31552	0.4
58.52464	0.5
59.01253	3.3
60.42144	0.4
63.95511	0.4
69.57249	1.5
69.57669	1.2
70.05791	0.4
71.01244	0.9
71.78283	0.3
73.02827	0.5
83.04906	1.2
85.02811	0.7
89.03841	11.6
90.04192	0.5
93.03343	2.9
103.90284	0.4
109.02843	0.5
111.04398	2.6
117.03342	64.6
118.03667	2.8
119.20061	0.4
121.02834	1.0
127.03934	0.6
133.02840	3.1
134.03621	9.3
135.04417	8.4
137.02345	7.2
139.03900	2.8
150.03110	0.9
153.44324	0.4
155.03410	3.4
160.01559	0.4
173.04468	7.6
173.05862	0.5
174.04779	0.5
177.01868	1.3
178.02623	10.9
179.03302	1.2
191.05548	6.1
192.05754	0.4
215.07086	1.5
219.10217	11.6
220.10501	0.5
239.74289	0.4
245.08189	0.7
263.09222	100.0
264.09573	7.0
308.09070	0.6
311.67136	0.3
352.07791	1.0
393.67447	0.4
394.55722	0.4
404.80844	0.4
434.16721	0.4
437.14508	6.8
438.14838	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91360	0.2
56.13273	0.2
59.01247	27.8
60.01574	0.6
61.01643	0.2
61.87401	0.2
61.98700	0.4
69.48341	1.9
69.58234	0.2
71.01245	2.2
73.02809	2.5
74.86885	0.2
76.43170	0.2
78.95781	0.3
83.01252	0.8
85.02818	0.7
87.00726	0.2
89.02307	0.6
93.03341	0.9
94.03678	0.2
96.95872	0.4
101.02326	1.5
105.68546	0.2
110.29897	0.2
111.04340	0.3
111.55903	0.2
113.02322	0.6
117.03335	0.7
119.04898	0.5
121.02813	0.6
129.07005	0.6
133.02844	0.5
134.03609	0.6
135.04379	1.0
137.02293	0.5
143.03442	0.2
144.05684	0.7
144.54810	0.3
145.06393	0.3
149.04436	0.2
152.99471	0.3
155.03410	0.3
155.04892	0.4
161.02348	0.5
163.03897	0.6
164.07120	0.2
172.05211	5.1
173.04474	1.5
173.05972	15.1
174.06323	1.0
178.02621	0.9
179.03369	0.4
185.32864	0.2
187.03851	0.2
188.04697	0.3
191.05522	1.9
199.03920	0.4
203.03456	0.4
215.07066	100.0
216.07413	7.0
217.08655	0.3
219.10263	0.4
231.06499	1.4
233.08148	3.7
234.08545	0.3
257.08157	0.4
263.09241	2.3
377.12323	3.0
377.21451	0.3
395.13513	2.6
396.13754	0.3
437.14447	5.6
438.15048	0.9
451.94601	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01528	0.3
59.01253	8.7
60.01578	1.6
61.01683	0.9
66.92235	0.4
67.01769	0.9
67.28556	0.4
69.03327	0.4
71.01259	1.0
71.59051	0.5
73.02814	0.5
75.00734	0.5
81.03333	0.6
83.04895	1.0
85.02816	1.6
93.03342	4.1
95.04890	0.5
101.02335	0.7
105.03344	1.2
108.02055	0.6
109.02838	0.8
111.04396	3.6
117.03358	0.9
121.02850	1.1
124.40369	0.4
133.02840	5.3
134.03629	87.8
135.04361	3.7
137.02342	1.5
147.04396	0.4
155.03441	3.6
164.04752	0.5
165.05502	1.0
167.03339	0.6
173.04472	8.6
174.50278	0.3
175.00267	0.5
175.03934	1.3
177.01863	1.7
178.02654	1.1
179.07033	0.6
190.02632	1.6
190.06265	1.3
191.05518	4.0
191.10751	0.8
205.04961	1.8
205.08684	1.9
218.11813	18.7
219.12141	0.9
220.13513	0.5
231.06528	1.0
245.08183	0.7
246.08948	1.2
261.11282	1.9
262.10818	100.0
263.09094	1.8
263.11447	6.5
299.01855	1.2
333.56583	0.8
334.06955	1.0
345.28540	0.4
361.16412	2.4
362.16650	0.6
367.10367	2.0
420.16623	0.5
435.29929	0.5
436.16019	3.4
436.22659	1.0
436.29614	0.8
437.14990	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14556	0.4
59.01252	2.9
61.98669	0.5
69.87849	2.3
78.95772	20.5
96.96873	0.4
114.80046	0.4
121.99960	0.5
134.98380	0.6
140.01082	6.1
152.98444	0.4
152.99500	2.3
196.03745	11.3
196.05534	0.7
214.04897	2.1
239.20123	100.0
240.20471	6.3
253.81435	0.5
256.94022	0.4
307.31335	0.4
436.24683	23.2
437.25128	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	437.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91798	0.4
57.23375	0.5
59.01245	7.1
67.01762	0.8
71.01245	3.1
71.57843	0.4
71.58302	0.5
73.02814	1.2
83.01273	0.7
83.04888	1.1
85.02812	8.7
87.00756	2.3
89.02322	1.0
93.03330	5.0
96.33628	0.4
96.95900	0.8
100.34958	0.4
101.02307	1.1
108.49523	0.5
109.02828	0.9
111.04401	1.5
113.02296	1.0
117.03345	1.8
121.02814	0.7
127.03895	1.9
133.02879	1.2
134.03622	7.6
135.03880	3.6
137.02324	0.8
147.04425	0.7
148.93970	0.5
153.01788	0.5
155.03387	0.9
161.04428	0.5
165.05467	0.6
171.02936	0.5
173.04463	6.0
174.04785	1.1
175.03938	5.2
178.02597	1.0
187.03926	1.6
188.04738	0.9
189.05429	0.5
189.09030	1.1
190.06253	6.1
191.05527	100.0
192.05882	3.6
201.09044	0.7
202.06335	0.6
203.06990	1.7
205.08626	7.7
216.04236	1.7
217.08598	1.8
218.11830	0.9
219.10193	0.9
219.12103	1.0
220.03612	0.5
231.06554	6.3
245.08154	21.3
246.08862	6.6
261.11295	11.9
262.10803	4.6
263.09073	2.3
263.11450	7.7
305.10278	1.9
361.16501	0.6
383.64148	0.4
437.14249	3.1
437.23517	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	436.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.3
59.01249	2.4
71.01258	1.1
73.02830	0.9
77.03869	0.4
81.03344	0.5
83.04894	1.1
85.02833	0.7
87.00752	0.8
89.02327	0.4
89.03835	1.2
93.03331	3.0
95.01218	0.2
95.04892	0.6
98.20571	0.4
101.02324	0.6
105.03341	3.0
106.83350	0.2
108.02037	0.4
109.02833	0.6
111.00730	0.3
111.04403	3.0
113.02306	0.3
115.00287	0.3
117.03339	6.1
118.03704	0.2
119.04942	0.3
121.02843	0.6
123.04408	1.9
127.03895	0.3
129.01782	0.3
133.02849	11.1
134.03629	30.8
135.04434	10.0
136.04781	0.5
137.02344	3.4
139.03914	1.4
144.04329	0.2
150.03146	0.3
150.86443	0.2
155.03400	3.1
156.03690	0.2
165.01862	0.4
166.02605	0.4
167.03172	0.3
173.04498	6.4
173.05980	1.0
177.01849	2.3
178.02632	6.4
179.03178	0.4
180.70911	0.2
181.04993	0.4
182.05342	0.2
191.05544	1.8
191.10724	0.3
192.10262	0.3
195.06537	0.4
201.09038	0.2
212.06937	0.2
215.07080	4.0
218.11804	39.3
219.10168	0.4
219.12112	2.8
227.09224	0.4
245.08138	0.2
262.10815	100.0
263.11179	6.6
263.13348	0.1
263.14011	0.2
298.04321	0.4
313.06857	0.2
327.08719	0.3
328.08997	0.6
343.11276	0.2
356.02463	0.2
358.13589	1.2
376.14798	0.4
436.16125	4.0
436.21872	0.2
437.14322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24504	0.7
57.03311	2.1
57.28453	0.6
59.01250	33.0
60.01584	1.9
60.99178	5.6
61.16640	0.6
63.29610	0.6
67.01759	12.3
69.03321	4.5
71.01254	10.6
71.58101	1.0
73.02827	1.7
77.68180	0.5
78.95743	0.6
81.03317	3.4
83.01260	1.0
83.04895	1.8
85.02831	6.3
87.00753	20.0
89.02325	3.7
93.03336	83.2
94.03654	2.4
96.56090	0.5
97.02832	0.7
99.00758	2.7
99.04383	2.1
101.02302	1.8
105.03358	1.2
107.01251	0.6
108.02046	0.7
111.04409	14.4
113.02302	3.0
114.81902	0.6
115.03883	1.1
117.03348	3.0
119.01292	1.0
121.02809	1.9
123.00830	0.7
123.04382	2.2
124.01470	0.7
125.02316	3.2
127.03922	1.1
129.01830	2.6
132.02008	0.7
133.02864	3.9
134.03629	11.3
135.04431	6.7
137.02299	1.8
143.03499	0.9
143.03714	1.1
143.04921	11.6
147.00752	3.4
149.02342	2.1
149.04495	1.4
150.03075	1.5
151.00255	2.6
151.03918	1.5
152.01051	1.1
152.99548	0.8
153.01891	1.3
155.03435	3.5
160.01572	5.0
161.02167	0.7
162.03168	0.7
163.03888	2.4
164.04672	0.7
165.01884	0.9
166.02560	0.9
167.03398	1.4
171.02930	0.6
173.04472	54.2
174.04831	1.7
175.00267	3.2
177.01877	1.1
177.05467	0.7
178.02594	1.0
179.03342	1.2
180.04147	0.8
183.06641	0.6
190.02646	7.0
191.05540	100.0
192.04172	0.7
192.05872	3.7
194.02017	0.6
194.85811	0.6
199.03938	1.7
201.01741	0.7
204.67656	0.6
205.04999	7.1
206.05273	0.7
218.11803	10.3
219.12086	0.7
223.06059	1.5
225.07520	0.6
233.04419	0.8
233.06581	1.4
243.02850	1.0
244.09856	2.8
262.10840	12.7
263.09158	1.9
271.02463	18.3
272.02869	2.3
293.08713	2.0
299.01965	25.8
300.02567	7.2
301.03403	4.0
318.54147	5.8
319.04471	3.0
321.06146	0.8
326.05338	3.6
326.55707	2.9
327.05386	0.8
333.56546	33.7
334.06839	23.3
334.57053	5.0
336.08304	0.9
351.06931	1.3
352.07889	1.1
407.58301	0.9
415.09552	8.1
415.59848	3.2
416.09937	1.1
428.58707	2.0
429.09326	1.3
435.29370	2.4
436.10123	7.7
436.16043	67.4
436.28836	4.3
436.60065	4.7
437.10739	0.9
437.16422	7.9
462.07916	1.1
463.08960	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61623	0.5
57.03323	2.3
58.00450	0.4
59.01250	24.6
60.01581	1.2
60.99171	6.5
61.01667	0.9
61.98681	0.7
65.03849	0.5
67.01762	13.3
68.02062	0.5
69.03319	4.4
70.35705	1.3
71.01247	6.6
73.02809	1.9
78.46815	0.4
81.03332	2.2
83.04884	2.3
85.02821	1.8
86.89220	0.4
87.00216	1.0
87.00748	21.4
88.01127	0.5
89.02328	0.6
92.22108	0.4
93.03333	100.0
94.03651	2.7
99.00757	2.1
99.04399	2.2
101.02329	1.8
104.08087	0.4
111.04399	14.7
113.02297	2.0
115.03855	0.6
117.03387	0.5
121.02842	0.5
124.01569	1.4
125.02326	0.6
125.54330	0.5
129.01854	2.8
133.02823	1.4
134.03627	26.9
135.04433	10.0
137.02348	1.2
143.03372	1.3
151.03889	1.6
155.03392	3.3
161.02238	0.5
173.04466	67.3
173.52193	0.5
174.04854	2.7
176.03970	0.7
179.03404	3.3
191.05554	6.1
191.07182	0.9
192.06003	0.8
218.11852	4.7
262.10809	10.3
263.09042	0.8
289.16541	0.5
307.08173	0.9
308.08969	2.3
352.07864	2.4
353.09030	0.6
382.35501	0.5
436.16083	73.2
437.16437	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	435.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38039	0.6
59.01248	80.1
60.01590	1.9
61.01686	0.7
71.01252	6.0
71.58385	0.9
73.02804	1.9
78.95782	1.5
82.30794	0.6
83.01245	1.5
84.78127	0.6
85.02826	2.6
87.04385	19.7
89.02328	2.8
93.03323	1.8
93.07277	0.6
95.01229	0.8
99.00760	1.1
101.02311	3.3
104.36971	0.6
113.02319	4.7
119.03374	1.2
123.35175	0.7
135.04391	1.3
152.99518	1.3
161.04463	2.0
173.04498	1.8
179.03433	2.0
183.13808	8.9
191.05524	1.1
194.05807	1.0
195.13815	6.8
213.14891	100.0
214.15231	6.3
227.16299	0.9
244.46442	0.7
255.16032	0.7
333.18994	0.9
375.16306	1.3
435.14307	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	435.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.6
64.71831	0.3
71.07516	0.4
71.07874	0.6
74.07035	0.3
78.95773	71.2
89.59604	0.3
96.96841	6.0
99.92449	0.7
102.47079	0.3
113.45386	0.3
150.97929	1.9
152.99489	100.0
153.99815	1.5
171.00575	3.3
207.03461	0.3
221.58774	0.3
268.96024	0.3
281.24765	1.5
286.01028	0.3
334.89343	0.3
348.48334	0.3
391.32303	1.8
397.93503	0.4
435.25241	13.8
435.31152	2.3
436.25687	1.5
436.31229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2515
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
59.01237	0.2
60.30039	0.2
61.84451	0.2
61.99165	0.2
68.65281	0.2
71.21166	0.4
78.95775	51.8
81.66271	0.2
96.96844	6.3
105.59859	0.2
106.42155	0.2
134.01877	0.1
150.97937	1.9
152.99489	100.0
153.99835	1.8
171.00560	4.0
215.05727	0.2
217.22920	0.2
251.56793	0.2
254.54002	0.2
281.24863	1.3
434.86670	0.2
435.25143	7.7
436.25479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.5
57.53769	0.3
59.01247	20.3
60.01569	0.9
60.99170	5.5
61.01659	0.8
65.03838	0.6
67.01755	14.2
69.03326	5.2
69.54174	0.4
71.01244	6.1
71.04875	0.4
71.21478	0.9
73.02812	1.0
78.95765	0.5
81.03316	2.6
83.01253	0.8
83.04892	2.9
85.02816	2.0
86.34963	0.4
87.00745	21.6
89.02341	0.8
93.03329	100.0
94.03669	2.5
97.02843	0.5
99.00745	2.3
99.04383	1.7
101.02309	1.1
102.02734	0.4
110.70919	0.4
111.04395	15.3
112.04710	0.4
113.02312	1.6
115.03900	1.1
117.03347	0.6
121.02847	0.7
124.01549	0.8
125.02306	0.7
127.03858	0.4
129.01833	3.3
133.02832	1.9
134.03622	24.9
135.04424	11.2
136.30783	0.4
137.02330	0.8
143.03375	1.1
151.03918	2.0
152.99451	0.5
155.03374	3.6
160.01646	0.5
161.02322	0.8
161.04434	0.4
173.04459	67.3
174.04730	2.9
176.03923	0.4
177.01801	0.7
179.03407	4.0
191.05533	6.3
192.05801	1.1
200.13663	0.6
204.36920	0.4
218.11766	4.1
221.79997	0.4
250.93927	0.4
262.10846	10.1
263.11346	0.9
280.82407	0.4
307.08292	0.6
308.08936	2.3
333.56281	0.5
352.07968	2.4
436.16077	75.0
437.16418	9.3
437.22784	0.8
442.35452	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26316	0.3
59.01250	100.0
59.97539	0.3
60.01584	1.1
60.81808	0.3
60.97935	0.3
65.99666	0.3
66.85967	0.3
71.01234	0.6
71.38436	0.3
71.38750	0.4
83.25570	0.3
89.00128	0.3
89.02291	0.3
93.03355	0.3
101.02321	0.5
102.90014	0.3
113.02368	0.7
116.75932	0.3
117.62971	0.3
123.04379	0.3
129.01408	0.3
145.02896	0.4
152.99496	0.4
157.06517	0.4
165.01868	0.6
165.53206	0.3
173.48209	0.3
179.03403	0.4
180.04253	0.4
180.05750	0.3
197.06023	0.9
199.07671	0.8
207.06624	0.4
225.05672	0.4
227.07153	0.9
239.07115	2.8
240.07962	0.6
240.49716	0.3
241.08691	2.5
269.08157	4.8
269.10535	0.4
270.08527	0.5
272.06906	0.9
282.05524	0.7
297.07678	0.5
331.10208	0.3
333.19269	0.4
375.08804	0.7
390.10983	0.4
405.13812	1.0
435.14124	2.7
436.15408	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46128	0.8
59.00947	1.3
59.01246	23.3
66.03371	3.8
67.01761	1.0
68.04912	4.1
68.71494	0.8
69.03348	1.0
71.01244	4.9
71.04912	0.7
71.57809	0.8
71.58282	0.9
73.02838	1.6
78.95777	2.5
80.04937	2.6
81.03329	2.9
82.02874	1.0
83.01254	5.1
85.02800	1.6
85.40508	0.7
87.15709	0.8
88.01547	0.9
88.10829	0.7
89.02305	1.6
93.03352	2.3
96.00789	1.3
96.04445	1.0
96.95903	1.2
98.02374	0.9
99.00721	1.1
101.02289	1.1
105.93500	0.9
108.04439	9.1
111.00768	1.7
113.02328	1.4
118.06559	0.9
131.03436	0.7
135.04443	1.8
136.07590	1.4
141.01906	1.3
143.04900	0.8
146.06026	1.9
149.09607	0.8
150.05544	1.5
151.03874	0.8
152.07042	1.4
152.99503	5.5
162.12756	4.6
164.07083	19.4
164.14349	17.9
165.01819	1.6
165.14670	1.4
166.60786	0.8
173.04445	1.3
178.02745	0.9
179.03386	1.4
190.12282	19.9
191.05534	1.9
191.12601	1.7
192.04362	0.9
194.92613	0.9
197.06044	2.2
208.13361	100.0
209.13716	6.7
221.11812	1.2
227.07159	2.1
230.15411	3.4
239.07089	4.8
241.04927	0.9
246.14999	5.8
248.16562	2.3
255.06633	0.9
256.13483	1.1
272.06821	2.3
273.07663	2.6
274.14569	1.9
282.05319	1.9
290.13907	2.4
292.15649	3.8
297.07755	1.9
299.09192	1.6
307.33994	0.8
336.14471	7.6
337.19238	0.9
355.20187	7.2
361.21274	3.4
373.21326	3.4
375.08728	1.7
377.09784	0.8
387.19159	11.0
388.19135	0.9
390.10632	1.0
399.19293	18.1
400.19470	3.2
405.13821	4.8
405.19666	3.8
417.20334	5.6
420.12296	1.4
435.14355	13.2
435.21341	35.0
436.14856	2.2
436.21722	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	435.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05097	0.4
56.18542	0.4
57.03315	1.0
57.97648	0.4
59.01249	100.0
60.01595	1.3
60.99171	0.8
61.01684	0.4
66.64984	0.4
67.01755	2.6
69.03346	1.1
69.66020	1.5
69.66449	1.1
71.01257	4.1
73.02824	1.9
81.03358	0.6
83.01256	0.7
83.04893	0.7
85.02831	3.2
87.00761	4.4
89.02335	1.3
93.03332	19.1
95.01273	0.5
96.04416	0.6
99.00759	0.6
99.04417	0.5
101.02333	2.1
103.52427	0.4
105.03356	0.5
108.02110	0.5
111.04427	3.0
111.13025	0.4
113.02349	1.5
123.04419	0.5
133.02844	1.4
134.03632	2.6
135.04402	3.0
136.07619	1.0
137.02377	0.9
143.03355	0.5
149.02431	0.5
151.00333	0.6
155.03392	0.8
160.01608	1.2
161.02332	0.5
161.04489	0.9
165.01927	1.4
166.02603	0.4
173.04465	11.1
177.01869	0.5
179.03412	1.1
180.04214	1.1
181.05008	0.5
190.02649	0.9
191.05537	24.6
195.06615	1.6
205.05128	1.2
207.06598	0.7
218.11842	2.6
220.34901	0.5
225.07744	1.0
227.07227	0.6
231.15979	0.5
257.05322	0.5
257.12881	0.6
262.10840	3.2
271.02567	1.8
275.14160	0.5
278.47104	0.4
299.01880	2.6
300.02856	0.5
301.03622	0.6
318.54172	0.7
326.05664	0.5
333.19165	0.7
333.56467	4.1
334.07153	1.6
375.20499	1.9
387.15109	1.0
391.11826	0.7
393.21494	1.1
415.09802	0.8
417.28583	0.5
435.22543	6.6
435.29782	8.0
436.10330	1.4
436.16083	14.1
436.22278	0.9
436.30106	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70480	0.5
52.13219	0.5
59.01252	45.0
60.01572	0.7
63.40742	0.5
66.63046	0.5
69.45296	4.8
71.01260	3.0
73.02820	1.7
81.02033	0.5
85.02819	0.9
89.02316	1.0
91.85254	0.5
93.03337	1.4
95.04858	0.7
96.04439	3.7
101.02310	0.6
107.03661	2.0
108.04433	27.5
109.04812	0.5
113.02322	0.6
121.05236	1.0
122.06007	27.9
124.07572	69.5
125.07921	2.1
131.03384	1.0
134.03624	0.7
135.04391	0.9
136.07576	68.1
137.07918	2.5
149.04471	1.7
149.05989	1.0
150.05586	0.9
153.01810	0.6
165.01772	0.8
167.05824	1.2
168.06573	100.0
169.06955	3.7
173.04448	1.1
179.03378	0.6
180.06577	9.5
191.05553	2.2
191.52094	0.5
194.28220	0.6
209.08180	2.4
216.13966	1.1
218.63318	0.6
231.11363	0.6
243.11346	1.4
259.14441	2.7
285.12292	0.6
303.13486	50.2
304.13885	4.4
314.47659	0.5
336.30228	0.6
422.24359	0.6
435.17667	7.2
435.22406	1.7
435.30142	0.8
436.17999	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1447
Annotation	Gnetofuran A
Peak:m/z	Relative Intensity
59.01249	20.3
61.98695	0.5
67.05428	0.5
68.96848	0.4
71.01254	2.9
71.58754	0.7
73.02811	9.1
73.62638	0.4
75.68877	0.5
78.95776	0.9
83.01184	0.5
85.02819	3.7
87.04388	100.0
88.04725	1.5
89.02312	1.0
89.02809	0.5
90.57686	0.5
93.03333	6.3
95.01275	0.6
99.00758	1.2
101.02317	1.8
103.03868	1.9
109.02847	0.7
111.00755	4.2
113.02299	1.0
117.03345	1.0
119.04931	0.7
121.02856	0.9
123.00774	1.8
124.01588	0.6
125.02320	1.4
132.02092	0.5
133.02887	0.6
135.04509	0.8
137.02322	1.6
138.03067	0.5
139.00279	2.7
140.01070	1.0
141.01823	6.4
143.04880	0.7
145.02855	3.7
148.10663	0.5
149.02371	0.5
151.03868	0.5
152.99493	1.0
153.01836	0.7
153.05583	0.4
153.06975	1.1
155.03394	0.8
156.05667	0.7
161.02415	0.6
161.04428	0.6
164.00955	0.4
165.01823	9.1
166.02525	0.6
169.06499	1.3
171.08052	0.8
173.04411	1.3
175.03871	0.7
177.01839	1.6
178.02556	0.7
179.03406	4.6
180.04201	4.9
181.06516	0.7
183.04364	0.4
183.08052	1.0
185.05991	1.8
191.05493	0.8
192.04297	0.8
193.06433	0.6
194.05753	1.1
195.04550	0.8
195.06516	1.7
195.08078	0.6
196.05136	0.7
197.06007	10.8
205.06575	0.7
206.94206	0.5
207.06519	1.9
209.06006	0.7
211.07498	2.0
212.04669	0.6
213.05449	0.7
221.05933	1.0
223.03979	0.5
224.04718	0.6
225.05627	1.1
226.06206	0.7
227.03502	0.7
227.07066	8.2
237.05481	2.8
238.06241	2.0
239.07086	24.7
240.07455	1.5
241.04958	0.9
241.08569	0.8
250.06325	0.9
251.07135	3.1
253.05164	1.1
253.08673	2.2
256.03705	0.9
262.89563	0.5
263.07114	0.8
265.05304	0.6
268.03726	1.2
269.04523	1.6
270.05127	0.6
277.08643	0.8
279.06552	0.6
281.04611	2.9
281.07874	0.6
282.05356	9.1
283.06000	3.4
284.06839	1.1
289.08646	0.7
296.06909	0.6
297.07663	7.6
297.10724	0.9
298.07956	0.6
301.08762	0.7
303.10181	0.8
305.08160	0.6
319.09903	0.7
329.08017	1.2
331.09653	1.3
333.19382	0.6
347.09308	0.8
357.07593	1.3
359.09265	1.3
361.07144	0.9
374.07971	1.8
374.17191	0.5
375.08612	7.6
376.08835	1.1
377.10275	1.6
387.08902	2.2
389.10413	2.3
390.11041	3.8
391.11673	2.0
402.10962	0.6
403.10907	0.6
405.09573	3.4
405.13858	15.4
406.13644	1.8
417.13318	1.5
420.12189	7.7
435.14435	47.5
436.14822	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	435.1448
Annotation	Gnetofuran A
Peak:m/z	Relative Intensity
54.70228	1.0
59.01250	26.4
61.00323	1.0
61.98692	1.7
71.01235	3.9
73.02831	1.7
78.95777	0.9
80.84037	1.0
85.02814	2.0
87.00708	1.2
89.02338	1.2
93.03334	23.2
95.01295	1.2
101.02347	2.4
105.61953	1.0
109.02789	1.4
111.00780	1.0
113.02353	1.1
117.03364	4.9
118.96991	0.9
119.04922	2.2
121.02844	2.1
123.00732	2.2
125.02351	2.6
133.02827	2.3
136.01584	1.3
137.02345	5.1
138.03094	2.7
143.04945	5.3
145.01781	1.4
145.02852	12.5
146.03557	1.2
147.04469	1.0
149.02324	1.8
151.03900	1.7
152.99461	1.5
153.05547	1.5
153.06953	2.1
156.05635	1.7
157.06451	1.5
159.04472	1.3
161.02356	4.4
164.01064	2.6
165.01845	25.6
166.02483	1.1
167.14328	3.9
169.06476	5.6
171.08067	3.9
173.04483	4.4
176.07230	0.9
177.01804	4.3
179.03419	12.8
180.04198	15.0
181.04697	0.9
181.06584	1.0
183.04381	1.8
183.08057	2.9
185.05995	7.2
187.03909	1.1
192.04263	5.3
193.06503	2.4
194.05698	1.3
195.04877	1.5
195.06540	7.6
195.08125	1.9
196.05284	2.3
197.04185	1.9
197.06006	40.1
198.06334	2.3
205.06592	1.1
207.06580	7.5
209.06004	4.4
211.07582	6.6
211.13293	4.0
212.04753	1.1
213.05475	1.5
217.20004	1.0
221.05977	4.1
224.04776	2.0
225.05499	4.2
227.03662	1.3
227.07083	29.1
228.07411	1.0
229.04968	1.1
229.14386	13.9
237.05603	7.8
238.06250	6.2
239.07091	100.0
240.04202	3.4
240.07426	8.4
241.04913	3.6
241.08646	2.2
249.05479	1.8
250.06369	2.4
251.07108	10.4
252.07762	2.7
253.04976	4.2
253.08672	7.2
255.02890	1.2
256.03781	1.8
261.09308	1.1
263.07086	2.7
265.04941	2.1
266.05710	1.5
267.06281	1.0
268.03787	2.7
269.04572	7.6
277.08496	1.9
280.03836	1.5
281.04541	8.9
281.08142	3.4
282.05334	34.3
283.05991	12.6
284.06766	2.8
289.08755	1.6
295.06357	1.1
296.06924	2.0
297.07672	30.7
298.08038	3.8
301.08588	1.5
303.10062	2.2
303.18039	8.1
305.08179	2.1
311.09189	2.7
315.06641	1.3
316.06967	1.1
317.08145	1.2
319.09537	1.4
329.08200	3.5
331.09720	5.7
333.07681	1.6
335.07742	1.2
347.09317	3.2
357.07590	3.3
359.09195	4.0
361.06998	1.7
370.08478	1.3
374.07596	4.7
375.08725	22.9
376.09140	2.7
377.10162	2.5
384.47156	1.0
385.10770	1.9
387.08798	11.5
388.09445	1.1
389.10202	6.8
390.11023	17.1
391.11630	6.7
402.11118	4.7
405.13504	94.1
406.08862	1.1
406.13815	13.2
417.13388	17.5
418.13837	2.5
420.12070	5.0
435.14432	89.1
436.14798	14.1
447.67023	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1447
Annotation	Gnetofuran A
Peak:m/z	Relative Intensity
56.38174	1.2
59.01250	11.7
59.16956	1.2
69.52765	1.0
71.01251	2.6
71.57954	1.5
78.95776	2.3
93.03333	20.6
96.95867	3.5
101.02286	1.8
117.03345	5.1
119.04891	2.3
121.02872	1.9
123.00735	2.3
124.31190	1.1
125.02330	2.8
135.04433	1.9
136.01544	2.5
137.02315	2.9
138.03136	2.8
143.04930	3.5
145.02853	11.7
149.02257	1.8
151.03879	1.8
152.99487	1.8
153.06950	3.3
155.04959	1.8
156.05664	1.9
158.45287	1.1
164.01068	2.5
165.01845	27.6
166.02527	1.7
169.06541	5.5
171.08067	2.8
177.01826	4.5
179.03419	15.3
180.04213	13.1
181.06448	1.5
183.04457	2.2
183.08052	3.7
185.06018	6.5
192.04202	7.1
193.04874	1.3
193.06480	2.6
195.04625	1.7
195.06503	6.0
195.08141	2.4
196.05209	3.8
197.06026	37.1
198.06346	2.7
205.06450	2.4
207.06546	8.2
209.06030	5.0
211.04047	1.8
211.07582	6.0
213.05437	2.7
221.06035	3.4
224.04756	2.7
225.05547	11.3
226.06212	3.6
227.07083	34.1
237.05510	9.7
238.06241	8.1
239.07095	95.2
240.04346	1.2
240.07390	7.8
241.04959	5.6
241.08667	2.2
249.05731	2.3
250.06299	3.3
251.07141	8.0
252.04144	1.3
252.07971	1.3
253.04993	3.6
253.08670	7.3
255.03015	1.9
256.03583	2.8
265.04929	2.1
267.06543	1.5
268.03732	2.8
269.04514	7.0
270.05154	1.9
271.05945	1.3
280.03870	1.7
281.04507	9.0
281.08090	3.9
282.05307	39.2
283.06009	11.7
284.06784	2.6
289.08676	1.7
296.06784	2.9
297.07666	28.5
298.08173	2.2
299.09167	1.5
301.08780	2.6
303.10385	1.5
305.08044	2.2
311.09274	2.1
317.08411	1.5
319.09671	2.4
329.08234	2.9
330.08679	1.4
331.09729	3.8
333.07574	1.8
347.09018	4.3
357.07544	4.4
358.08508	1.6
359.09219	3.3
361.07126	2.0
362.07626	1.4
374.07825	4.8
375.08676	19.7
375.16019	4.0
376.09125	3.9
377.10333	1.8
385.10831	3.3
387.08823	9.3
388.08884	1.4
389.10001	7.4
390.11078	12.5
391.11829	7.1
402.10962	6.7
405.13501	100.0
406.13773	10.4
417.13443	14.6
418.13510	2.1
420.12082	6.6
435.14426	87.6
436.14761	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2592
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
50.35300	0.3
59.01249	12.0
66.80190	0.3
70.16152	1.4
77.56965	0.3
78.95757	1.5
113.09615	0.5
115.92004	0.3
117.03345	16.2
118.03667	0.6
118.05247	0.3
119.04913	7.1
121.02838	0.7
127.11201	0.5
133.02893	0.5
145.02850	100.0
146.03200	4.2
149.38324	0.3
152.99481	2.0
163.03896	4.9
174.93362	0.8
181.65482	0.3
186.95357	0.3
192.95744	0.4
241.21703	0.4
244.97581	1.1
269.21356	0.4
287.22284	10.1
288.22522	0.6
311.17508	0.3
415.24945	1.0
433.25937	26.6
434.26324	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	435.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.5
57.87567	1.4
59.01246	48.2
60.99163	3.8
67.01761	8.0
68.72532	1.4
68.86272	1.4
69.00771	1.4
69.03304	3.2
71.01250	13.8
71.57938	2.6
72.99174	1.4
73.02802	4.2
78.03695	1.5
81.03287	2.4
82.02826	2.7
83.01237	2.0
83.42149	1.5
85.02811	6.8
87.00739	16.6
89.02299	6.1
93.03327	56.0
94.03632	2.2
95.04887	1.6
96.95869	7.1
99.00735	2.2
101.02312	6.9
107.04884	1.9
108.01981	1.4
109.02840	7.1
111.04381	9.5
113.02316	3.7
119.03387	1.4
119.04826	1.9
121.02820	2.5
125.02324	4.2
125.03453	2.0
127.03888	2.7
129.01801	2.3
135.04410	8.1
137.02335	3.3
147.04431	2.3
149.02263	1.7
149.04506	1.5
151.00233	5.2
153.01733	2.2
155.03383	6.8
159.04405	25.5
161.04659	2.2
161.05974	38.5
163.03883	2.0
165.01808	2.9
166.02574	6.3
173.04480	48.1
173.05957	4.9
179.03389	1.8
181.04924	8.4
187.03877	2.9
187.07533	1.7
188.04668	3.4
191.03726	2.8
191.05534	52.7
199.07513	4.3
201.05583	1.9
202.06268	3.1
203.03438	2.4
215.07062	3.0
217.08649	42.8
218.09000	2.8
243.06552	6.2
261.07681	20.8
262.07993	2.9
268.39706	1.6
313.17557	1.7
357.13419	4.0
361.16348	3.0
363.17386	7.8
375.20230	2.3
390.80963	1.6
435.12903	100.0
436.13101	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	435.1448
Annotation	Gnetofuran A
Peak:m/z	Relative Intensity
59.01250	22.1
68.82294	1.0
71.01278	1.6
71.58146	1.1
80.80222	0.8
85.02835	1.2
87.00794	0.9
93.03324	10.7
96.74922	0.8
96.95905	1.3
99.00758	2.6
111.00762	7.5
115.41649	0.8
117.03343	2.6
119.04923	1.6
121.02845	1.8
123.00768	4.2
124.01602	1.4
125.02311	2.9
136.01463	1.3
137.02327	3.8
138.03123	1.3
139.00279	5.2
140.01038	2.7
141.01825	11.6
143.04893	4.0
145.02859	6.6
149.02325	1.7
150.03064	1.2
152.99492	1.4
153.06937	1.4
159.04413	1.3
165.01842	16.3
166.02354	1.0
169.06444	3.1
171.08060	1.8
177.01796	3.7
178.02466	1.6
179.03403	6.6
180.04185	8.5
183.07976	1.6
185.05991	4.5
186.75992	1.0
192.04201	2.9
193.04962	1.3
193.06604	1.5
194.05664	0.9
195.04514	1.2
195.06505	3.7
195.08118	2.0
196.05217	1.9
197.06001	20.7
198.06465	2.5
199.03891	1.3
205.06462	1.2
207.06657	4.8
209.06079	2.3
211.03934	1.2
211.07549	3.9
213.05453	2.1
221.06044	1.6
224.04645	1.2
225.05527	3.3
227.03485	1.3
227.07065	20.4
228.07394	1.4
237.05511	5.6
238.06306	3.7
239.07083	54.0
240.07419	3.6
241.04970	4.0
241.08734	1.3
250.06323	1.4
251.07019	7.2
252.07750	1.4
253.05037	3.3
253.08577	4.9
256.03583	1.4
266.05759	1.1
268.03732	2.8
269.04523	5.2
279.06503	1.3
281.04489	5.3
281.07764	1.6
282.05344	18.2
283.06064	8.2
289.08752	1.5
297.07639	20.5
298.04593	1.2
298.08255	1.5
317.08081	1.4
319.09567	1.1
329.08206	2.8
331.09558	2.5
333.07504	2.1
347.09039	1.6
357.07611	2.1
359.09186	3.0
374.07907	3.3
375.08719	17.4
376.09061	3.0
377.10526	2.1
378.10654	1.0
387.08640	5.9
388.09283	1.2
389.10172	4.5
390.11111	7.5
391.11664	4.8
405.09723	6.9
405.13864	35.6
406.13660	3.2
417.13434	3.9
420.12149	16.7
421.12759	1.7
435.14417	100.0
436.14828	13.1
437.96588	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2357
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
59.01249	0.3
64.48259	0.2
71.07076	0.4
72.95808	0.2
78.83671	0.2
78.95771	55.7
81.35821	0.2
96.96835	6.7
99.23234	0.2
150.97942	1.6
152.99483	100.0
153.99809	1.4
171.00552	4.0
204.36746	0.3
279.23267	1.0
296.65472	0.2
300.56165	0.2
433.23587	6.9
434.23764	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.4
62.96283	0.4
65.91528	0.2
78.95771	68.3
96.96836	5.7
98.19770	0.5
150.97937	1.7
152.99480	100.0
153.99815	1.5
171.00551	3.0
279.23251	1.5
290.75772	0.2
332.82632	0.2
416.01071	0.2
433.23535	13.0
434.23917	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.3
57.03306	0.7
59.01249	100.0
60.01589	1.0
69.03324	0.3
71.01253	6.8
71.01610	0.6
73.02815	3.2
83.01264	1.2
85.02826	1.8
87.00754	0.7
87.04392	0.3
89.02316	3.7
90.03448	0.3
93.03342	0.4
94.41608	0.3
95.01255	0.5
101.02312	4.5
113.02330	3.9
117.76878	0.3
119.03417	1.5
126.77121	0.3
131.03436	0.4
135.04369	0.3
143.03386	0.8
149.04451	0.3
161.04454	2.0
179.05524	0.6
191.05487	1.1
195.37642	0.3
260.10098	0.3
265.08231	0.3
271.06064	0.5
271.19067	0.3
373.18179	0.6
373.18988	0.4
373.22211	2.3
391.19437	0.9
391.23309	0.9
415.19693	0.7
433.15540	0.4
433.20596	10.7
434.21017	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57809	0.3
57.03318	0.5
59.01248	100.0
60.01585	1.3
63.13980	0.3
65.62553	0.3
71.01247	6.6
72.99183	0.3
73.02811	3.1
83.01253	0.7
85.02831	2.2
87.00780	0.4
89.02318	3.9
95.01228	0.4
99.00750	0.4
101.02317	5.1
111.00748	0.4
113.02316	3.0
119.03385	1.1
143.03409	0.7
151.00278	0.4
159.02905	0.4
159.57491	0.3
161.04449	1.7
179.05586	0.5
185.18204	0.4
191.05547	0.7
197.11658	0.5
221.06357	0.5
229.20920	0.4
267.56061	0.3
271.06052	0.5
373.18091	0.7
373.22440	3.3
391.18973	0.7
391.23303	1.3
415.19519	0.7
433.15707	0.6
433.20578	13.1
434.21204	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	433.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28743	0.4
59.01250	17.9
59.81740	0.5
65.34517	0.4
71.58195	0.8
72.36134	0.4
78.95774	2.5
80.74800	0.4
84.99318	0.6
96.95863	0.5
101.76665	0.5
115.91979	0.8
117.03339	16.7
119.04922	6.8
121.02843	1.4
125.87228	1.6
126.88010	1.2
133.02849	0.7
139.88832	0.4
141.86644	0.6
145.02852	100.0
146.03192	5.1
151.43323	0.4
152.99484	2.2
157.86220	3.0
159.87657	0.5
163.03905	3.9
174.93312	1.4
184.95399	0.6
186.89809	0.5
186.95468	0.6
192.95828	1.5
222.55748	0.6
239.20168	0.4
244.97498	1.8
266.91003	0.5
268.95859	0.6
287.22275	10.1
287.25244	0.9
288.22556	1.1
291.77344	0.6
363.99451	2.0
365.77246	0.5
415.25211	1.3
432.95892	0.6
433.25906	30.1
434.21362	0.5
434.26334	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	433.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01590	0.7
69.03326	0.5
71.01259	9.3
71.37983	0.6
71.38332	0.7
73.02816	18.4
83.01254	4.6
85.02842	1.6
87.00780	0.6
89.02303	3.5
90.79640	0.4
93.03340	1.0
101.02323	18.2
113.02337	5.5
119.03355	2.4
125.02377	0.6
131.03419	1.5
134.03688	1.1
135.04439	0.8
143.03439	1.9
149.04445	2.3
155.03491	0.8
161.04483	4.2
173.04451	2.2
179.03496	0.7
191.05705	1.0
193.05046	0.8
203.05576	0.7
221.06773	0.7
259.06302	0.5
373.22092	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01584	1.2
62.30939	0.4
69.50212	2.9
71.00884	0.5
71.01241	1.9
72.99182	0.4
73.02831	1.2
73.27346	0.4
75.00742	2.3
75.23623	0.3
78.65843	0.4
81.14511	0.3
85.02834	0.5
89.02338	0.8
93.83392	0.3
98.20612	0.6
101.02352	1.2
102.07312	0.4
103.89327	0.4
109.38409	0.4
113.02329	1.0
152.72327	0.4
161.04485	0.6
182.24458	0.4
198.31104	0.4
261.53067	0.4
331.17819	1.2
370.35721	0.4
373.18781	0.5
424.18454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72707	0.5
59.01249	100.0
60.01591	1.5
71.01254	3.1
71.58772	1.0
73.02834	1.0
74.83979	0.6
75.00750	1.9
78.95724	0.9
84.69938	0.6
85.02820	0.9
89.02348	1.1
94.02872	0.8
101.02328	2.0
113.02341	1.2
135.04384	0.7
141.79689	0.6
161.04547	0.9
190.12296	1.8
196.91461	0.6
229.14268	3.1
233.27574	0.8
241.05080	1.5
283.91559	0.7
331.17477	0.6
354.19302	0.6
373.14417	1.1
392.54410	0.7
415.12152	0.8
433.13058	1.7
433.28616	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	80.1
60.01585	0.5
71.01250	6.6
71.57633	0.5
71.58029	0.5
72.57439	0.4
72.99184	0.6
73.02795	1.9
81.03322	0.5
81.78513	0.4
83.01256	1.1
85.02814	2.1
85.70607	0.4
87.00756	0.8
89.02315	5.6
91.01783	0.9
93.03351	3.6
95.01241	0.4
99.04408	0.5
101.02325	4.2
105.06968	0.5
108.02053	2.9
109.02838	10.2
113.02325	2.7
116.92755	1.2
119.03384	2.2
119.04887	1.0
121.02834	26.6
122.03651	10.6
123.00746	1.3
123.04414	4.8
124.01544	2.5
125.02367	0.8
129.63742	0.4
131.04895	0.5
133.02826	0.5
134.03603	1.1
135.04414	4.0
136.01558	0.6
136.05203	5.8
137.02342	7.6
138.03088	0.9
139.03880	1.1
143.03403	0.7
143.04955	0.4
146.03644	2.2
146.08139	0.5
147.04408	15.4
148.05252	2.0
149.04486	0.5
149.06021	1.2
150.03111	4.5
151.03880	2.0
153.01839	0.4
153.05460	0.5
154.02623	3.1
159.04408	1.1
160.05183	5.0
161.02379	1.2
161.04573	1.0
161.05977	23.3
162.06772	12.1
163.03928	0.8
163.07088	0.6
164.04720	2.0
165.05479	15.7
166.05820	0.4
167.03348	0.5
168.04192	2.4
173.04462	1.5
173.05995	5.9
174.06740	2.9
175.03853	2.2
175.07562	7.2
176.04774	3.4
176.08313	3.2
177.05473	1.4
177.09004	0.6
178.02440	0.4
178.06264	1.0
179.03465	1.0
179.05544	0.9
179.07011	6.0
180.07402	0.8
187.07588	0.7
189.09125	1.3
190.06207	2.6
191.05502	3.5
191.07076	2.3
193.04977	1.3
201.05463	0.4
205.08719	0.5
205.64566	0.4
208.07341	0.4
220.07207	0.5
221.08025	0.5
223.09740	0.7
235.09714	0.5
248.28624	0.4
253.14539	0.5
259.06253	0.5
267.10184	0.9
268.07315	1.4
280.11023	0.7
281.11435	0.5
282.09024	1.1
283.09818	3.0
297.11313	4.4
298.12076	13.1
299.12473	1.2
306.94708	0.5
311.12860	11.2
312.09906	1.1
312.13251	1.0
313.14432	37.2
314.14835	3.8
315.12320	2.2
316.13074	2.7
327.12347	6.3
328.12909	2.2
331.11935	0.5
331.15543	1.5
343.15472	10.5
344.15872	1.7
346.14175	4.5
347.14468	0.7
361.16534	100.0
362.16931	11.9
433.04333	0.5
433.15875	0.6
433.20807	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43988	0.3
53.84872	0.3
56.17467	0.2
59.01250	100.0
60.01585	0.9
69.49793	2.1
71.01261	1.1
82.13985	0.2
82.97699	0.2
83.37897	0.3
85.02785	0.3
89.02321	0.6
101.02332	0.7
112.16727	0.3
113.02328	0.7
301.20239	0.5
433.15536	0.6
433.24164	0.4
434.91626	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77219	0.7
59.01252	37.7
65.00194	4.4
67.01758	0.9
68.99684	0.8
69.03304	1.2
69.90150	2.6
71.01253	8.5
73.02825	2.9
73.55090	0.6
77.03835	1.1
79.01761	1.3
81.03332	3.6
83.01247	4.7
85.02813	3.7
87.00777	0.8
87.82537	0.6
89.02319	5.9
93.03328	9.7
95.01253	2.1
95.04913	1.0
96.95921	0.9
97.02811	4.5
97.71293	0.6
99.04417	0.8
101.02331	5.7
103.12679	0.5
105.03320	2.0
107.01279	4.7
107.04920	0.6
109.02826	1.4
109.06470	0.6
110.66305	0.6
111.04443	0.8
113.02306	2.7
113.63735	0.6
119.03408	2.5
119.04912	42.9
120.05244	1.0
121.02847	8.7
123.00753	2.1
123.04425	1.6
125.02341	13.1
127.07508	0.6
133.02853	1.2
135.04407	1.2
136.01550	0.9
137.02341	5.5
143.04944	3.9
145.02852	3.4
147.04408	0.6
149.02336	6.5
149.04330	0.8
150.99101	1.1
151.00272	13.1
151.03925	0.9
155.03389	1.9
159.04427	0.7
161.02364	0.9
161.04440	1.4
161.05977	2.2
163.00273	6.2
163.03896	1.7
164.01012	1.5
165.01834	10.8
165.05646	0.7
167.03433	3.0
173.04449	11.5
177.01901	3.7
179.03381	2.2
179.05635	0.7
185.06003	2.0
187.03912	4.5
191.03474	2.3
191.05534	7.2
193.01360	25.4
194.01611	1.0
197.06145	1.0
199.07516	1.3
205.01387	1.6
207.02902	2.4
215.07065	1.4
219.02901	2.6
223.02391	3.8
227.07077	2.3
228.06999	0.8
241.08661	1.2
253.14375	1.7
257.12943	1.0
259.06137	1.5
269.08170	2.0
271.06158	8.4
283.06146	2.0
294.61227	0.6
301.16525	0.8
313.07172	100.0
314.07474	8.9
325.07147	2.0
343.08188	24.9
344.08569	2.3
355.08395	1.0
361.16357	1.4
415.10245	2.1
433.11337	19.0
433.20120	5.5
434.11740	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01583	1.6
69.30258	9.8
71.01239	1.4
71.35130	1.0
86.89284	0.8
89.02303	1.6
98.19682	1.2
101.02332	1.2
108.02020	1.1
109.02818	3.5
121.02833	8.8
122.03633	3.3
126.07200	1.0
134.44949	1.0
137.02431	1.0
147.04439	4.7
160.05133	1.1
161.05989	7.3
162.06732	2.8
165.05458	3.1
173.05981	2.1
175.07579	1.7
176.04991	0.9
176.08260	1.1
179.07063	1.2
297.11066	1.2
298.12103	3.8
300.02640	1.3
301.03159	0.9
311.12933	2.2
313.14374	9.5
327.12326	2.1
331.17682	1.3
343.15469	2.7
361.16528	27.1
362.16901	3.6
433.20697	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	3.9
59.01249	21.8
71.01241	1.7
71.57798	1.9
78.95776	1.1
82.42442	0.8
85.29515	0.8
89.25500	0.9
97.06459	11.4
98.92838	0.9
113.80151	0.8
123.08047	6.5
125.09606	100.0
126.09933	4.3
126.74883	0.8
143.10631	1.8
145.79411	0.8
152.99506	1.2
161.05930	1.2
169.08611	3.3
187.09669	92.4
188.08389	0.8
188.09935	4.1
217.00333	1.3
261.13412	19.3
262.13730	1.1
280.22250	0.8
283.63470	0.8
431.22769	50.9
432.23053	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	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30830	0.3
51.37558	0.3
59.01249	100.0
60.01597	0.9
71.01247	0.7
71.26979	0.7
78.95771	0.3
96.95860	0.4
101.02319	0.5
121.02871	0.5
125.09642	1.3
163.04112	0.4
165.05530	0.4
182.55807	0.3
187.09686	0.8
209.08202	0.5
217.00316	0.5
239.09381	0.5
285.04166	0.4
431.22342	0.6
445.05804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73601	0.5
57.03361	0.8
58.00519	0.5
59.00843	1.6
59.01249	51.3
65.00189	3.6
67.01802	0.5
68.99760	0.8
69.03381	1.7
70.98231	1.2
71.01249	10.4
71.04940	0.6
72.99248	1.0
73.02881	1.9
75.00785	0.5
79.01825	1.5
81.03398	2.6
83.01250	4.1
83.04952	1.0
85.02829	3.8
87.00839	1.3
89.01803	0.9
89.02321	6.4
93.03336	7.4
95.01335	1.8
95.04969	0.8
96.18716	0.5
96.95943	1.4
97.02825	5.0
99.00799	0.6
101.02303	5.8
105.03427	1.4
107.01278	5.5
109.02868	1.2
110.09054	0.6
111.00834	0.7
111.04464	0.9
113.02330	3.8
116.92828	1.8
117.03436	0.8
119.03618	3.7
119.04911	37.8
120.05294	1.2
121.02842	6.5
123.00829	1.8
123.04457	1.5
125.02336	14.1
131.03479	0.8
133.02942	1.4
135.00807	1.1
135.04501	1.0
136.01604	1.0
137.02328	4.5
139.03949	0.7
143.03542	0.5
143.04980	3.8
145.02827	2.4
147.04474	1.0
149.02341	4.7
150.03026	0.5
151.00270	11.8
151.03938	0.7
152.99570	0.6
155.03467	1.9
159.02904	0.5
161.02451	0.7
161.04541	1.9
161.06056	2.2
163.00255	6.1
163.01382	0.5
163.03984	1.0
164.01123	1.1
165.01846	10.6
165.03175	0.7
165.05487	0.9
166.02472	0.6
167.03365	3.5
173.04459	3.3
173.05786	0.5
177.01839	2.5
179.03398	3.0
179.05550	1.1
185.06053	2.4
186.97255	0.5
187.03970	4.9
190.99857	0.9
191.03499	1.5
191.05591	6.4
191.07108	0.7
193.01350	27.7
194.01761	1.4
199.07582	1.3
205.01363	1.3
207.02934	2.1
211.02388	1.1
215.09024	0.8
219.02901	3.1
223.02425	3.3
227.07114	2.0
229.05054	0.6
239.07135	0.6
241.08424	0.9
245.08067	0.7
253.14198	0.6
259.06021	1.0
269.08176	2.1
271.06079	10.4
283.06171	2.1
297.07635	0.7
313.07159	100.0
314.07547	7.4
325.07025	2.0
343.08200	24.8
343.14786	0.6
344.08444	2.5
355.08368	1.4
361.16568	3.2
381.79080	0.5
385.08972	0.9
415.10229	2.0
415.15198	0.5
433.11295	15.7
433.20676	2.8
433.24985	1.5
434.11554	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88166	0.2
55.01761	0.7
57.03315	0.5
58.00454	0.2
59.01249	100.0
60.01582	1.0
65.37360	0.2
69.03359	0.4
69.39843	0.3
69.40247	1.8
71.01253	12.8
72.99197	0.8
73.02814	2.8
75.00739	0.4
81.03345	0.3
83.01261	1.5
85.02823	4.7
87.00754	0.8
89.02316	6.5
89.02821	0.5
89.29575	0.2
93.03358	0.6
95.01277	1.1
96.95919	0.3
97.02831	0.5
99.00774	1.0
99.04369	0.3
101.02317	6.7
102.02659	0.3
113.02324	7.3
119.03378	2.7
125.02340	0.4
127.82576	0.2
131.03409	0.4
137.09735	0.3
143.03419	1.0
147.11736	0.5
155.03438	0.4
156.23872	0.2
159.02937	0.4
161.04480	3.1
173.04483	0.7
179.05553	0.7
191.05548	1.1
213.09134	0.3
227.13016	0.3
227.16559	0.3
231.10330	0.9
257.08279	1.1
268.22919	0.3
283.06165	0.4
299.15060	0.3
311.05652	0.8
371.20743	6.2
372.21213	0.4
389.21826	11.8
390.22302	0.9
431.09564	0.3
431.23642	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59478	0.3
55.01753	0.4
55.80434	0.3
57.03319	0.8
57.12506	0.4
58.80870	0.3
59.01248	100.0
60.01580	1.4
69.03344	0.5
70.64660	1.0
70.65011	0.6
71.01250	9.2
71.04913	0.5
73.02808	3.3
75.00745	0.5
78.95759	0.5
81.20465	0.4
83.01252	1.4
83.04907	0.5
85.02825	3.5
87.00729	1.0
89.02306	3.3
93.03337	3.0
95.01258	0.9
99.00761	1.3
101.02319	5.7
108.02122	0.4
110.78578	0.4
111.04416	1.4
113.02326	4.2
119.03428	0.9
121.60336	0.4
125.02356	0.4
128.03389	0.3
128.45470	0.5
133.02866	1.6
134.03650	0.7
135.04434	0.8
137.02332	2.4
137.09647	1.8
139.11154	1.9
143.03421	0.7
147.85109	0.4
152.99609	0.5
155.03458	1.2
159.02884	0.8
161.02444	0.5
161.04472	6.1
165.12747	3.9
173.04485	2.1
177.01849	0.5
179.03488	0.7
183.13824	10.5
191.05585	1.4
191.14459	0.5
209.11824	0.5
209.15346	3.2
213.09174	0.8
225.14854	0.5
227.07042	0.6
227.12808	12.7
227.16299	0.5
228.13182	1.1
231.10172	0.6
251.12834	0.5
257.08401	0.5
268.03796	0.6
269.04587	1.6
275.09354	1.0
287.22354	0.6
334.06964	1.0
371.20718	4.0
371.24634	0.4
383.03809	0.5
389.21094	0.6
418.55215	0.4
431.27170	3.0
432.27567	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.7
57.03313	0.7
59.01249	100.0
60.01594	0.9
68.16836	0.4
69.03337	0.8
69.31184	0.5
71.01250	9.7
73.02818	5.9
79.89651	0.4
81.03339	1.8
83.01259	4.8
83.04893	60.8
84.05241	1.5
85.02808	3.8
89.02322	4.4
95.01286	0.9
97.06464	0.5
98.20635	1.1
99.00751	1.2
99.04402	5.0
101.02315	8.3
104.45251	0.5
111.04374	0.6
113.02312	4.5
115.16558	0.5
116.50631	0.5
119.03360	1.3
125.02344	0.9
131.03459	0.5
143.03406	1.3
145.80330	0.5
149.04521	0.7
155.03419	0.7
161.04465	3.9
165.12814	1.2
173.04413	0.6
179.05670	0.6
184.93466	0.4
187.23555	0.5
189.12776	0.8
207.13832	3.2
209.11746	9.1
225.14977	1.6
251.12994	1.9
261.13440	5.0
269.13931	28.6
270.14359	1.7
275.12982	1.4
311.15161	1.4
329.16116	0.6
330.28174	0.7
341.16086	0.8
371.17166	2.1
371.21106	1.0
376.08560	0.6
431.18951	6.4
431.27026	0.8
432.19769	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.1
58.00455	1.6
59.01250	100.0
60.01568	1.3
68.85835	0.7
69.63446	5.4
71.01254	29.2
72.01591	1.1
72.99186	1.8
73.02817	1.0
83.01266	1.4
85.02820	9.0
89.02311	25.8
95.01257	1.7
99.04394	28.6
101.02311	14.9
111.04404	1.2
113.02319	11.0
119.03385	8.9
121.06490	0.9
131.03435	1.1
143.03410	1.9
149.04532	1.3
161.04472	3.5
179.05511	1.5
189.12732	6.7
207.13841	33.2
208.14156	2.1
229.01756	0.9
233.11786	0.8
251.12859	85.8
252.13100	5.7
269.13901	1.1
371.20844	1.5
431.19180	36.1
432.19250	3.9
456.96841	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2199
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
51.86832	0.2
61.00835	0.2
62.96283	0.3
71.06677	0.5
78.85127	0.2
78.95774	64.5
96.96839	6.9
115.78262	0.3
119.12157	0.2
124.51343	0.3
145.50937	0.3
150.97928	1.9
152.99486	100.0
153.99846	1.5
171.00551	3.6
194.43159	0.2
277.21765	0.7
303.55716	0.3
431.21979	4.4
432.22482	0.7
434.86908	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
65.30098	0.2
70.19740	0.6
78.95773	72.8
96.96835	6.3
98.20402	0.3
106.32493	0.2
150.97949	1.7
152.99483	100.0
153.99837	1.1
170.99194	0.3
171.00555	3.1
277.21756	1.2
315.88321	0.2
431.21973	10.4
432.22272	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49354	0.4
55.01744	0.6
57.03312	0.9
58.00451	0.6
59.01251	100.0
59.98780	0.4
60.01588	1.3
71.01254	14.3
71.58160	0.7
72.01574	0.4
72.99181	1.1
73.02814	2.9
75.00772	0.4
83.01292	1.2
85.02827	5.1
87.00764	1.2
89.02316	8.4
93.03338	1.7
95.01239	0.8
97.02824	0.5
99.00769	1.0
101.02325	8.6
111.00757	0.5
113.02335	7.3
119.03390	2.8
125.02377	0.6
131.03436	1.1
135.04428	0.4
135.93225	0.4
137.05922	0.3
137.09688	0.4
143.03421	1.1
147.11740	0.4
161.04463	3.7
162.04836	0.4
166.24109	0.4
171.04527	0.5
173.04517	2.6
179.05560	1.1
191.05576	2.0
201.04918	0.4
213.09106	2.0
220.17140	0.3
221.06610	0.8
227.07059	0.6
231.10184	3.9
249.22751	0.3
257.08170	7.9
257.10638	0.6
258.08505	0.6
287.07065	0.5
305.47296	0.3
371.20752	4.4
372.20917	0.8
389.21811	10.0
390.22446	1.0
395.01208	0.4
429.03436	0.5
431.19125	1.4
431.23779	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.0
57.03334	0.6
58.00465	1.9
59.01249	62.6
59.98377	0.5
60.01593	0.5
60.06492	0.5
63.24789	0.5
71.01252	27.1
71.38097	0.7
72.99177	1.6
73.02825	3.0
82.82106	0.5
83.01276	1.8
85.02809	5.1
87.00773	1.4
89.02316	29.9
95.01277	2.3
99.04391	16.8
101.02324	14.6
105.69685	0.5
111.04457	0.5
113.02335	10.6
113.03069	1.0
116.56409	0.5
119.03403	10.5
121.06478	1.0
129.98940	0.5
131.03419	1.3
143.03429	1.0
144.18840	0.6
149.04515	0.8
155.93828	0.6
161.04454	1.4
163.14798	0.7
179.05475	2.8
189.12788	3.4
207.13837	22.2
208.14165	1.7
233.11847	0.8
251.12862	100.0
252.13232	7.6
269.14130	1.0
368.71457	0.5
431.19150	26.2
432.19543	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	431.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.1
58.00455	1.6
59.01250	100.0
60.01568	1.3
68.85835	0.7
69.63446	5.4
71.01254	29.2
72.01591	1.1
72.99186	1.8
73.02817	1.0
83.01266	1.4
85.02820	9.0
89.02311	25.8
95.01257	1.7
99.04394	28.6
101.02311	14.9
111.04404	1.2
113.02319	11.0
119.03385	8.9
121.06490	0.9
131.03435	1.1
143.03410	1.9
149.04532	1.3
161.04472	3.5
179.05511	1.5
189.12732	6.7
207.13841	33.2
208.14156	2.1
229.01756	0.9
233.11786	0.8
251.12859	85.8
252.13100	5.7
269.13901	1.1
371.20844	1.5
431.19180	36.1
432.19250	3.9
456.96841	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01601	1.3
61.98717	0.7
70.33246	0.8
70.33590	1.5
78.95779	7.0
85.25429	0.6
91.03944	0.7
96.95871	0.7
116.05194	0.5
137.42921	0.5
152.99477	8.0
171.00545	3.3
228.83276	0.5
277.21765	1.5
295.22784	8.2
296.23224	0.8
369.07825	1.2
370.96536	0.5
408.98059	0.5
426.71594	0.5
429.20584	0.6
429.30527	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12283	0.2
57.03328	0.6
59.01252	31.4
60.01578	0.5
71.01251	4.4
71.58171	0.5
72.99206	0.4
73.02820	1.4
78.95779	0.3
83.01269	0.6
83.04928	0.4
83.93941	0.2
85.02819	1.9
87.00741	0.6
89.02316	2.5
93.03344	0.6
96.08291	0.2
96.95876	0.2
99.00769	0.6
99.04392	0.3
101.02328	2.4
107.04935	0.4
111.04401	0.3
113.02328	2.0
117.03368	0.5
119.03387	1.0
119.04886	0.5
125.02344	0.2
135.04454	0.3
141.06998	0.7
143.04929	7.9
144.05299	0.4
145.02847	0.5
146.08139	0.7
149.04434	0.4
157.06482	1.4
159.04486	0.2
159.08066	2.2
161.04471	0.9
161.05843	0.2
167.04900	0.3
173.04475	0.7
173.05904	0.2
179.05499	0.4
180.73305	0.2
181.06520	0.9
182.07245	0.7
183.04430	0.4
183.08075	3.0
184.05191	0.3
184.08429	0.2
185.06009	12.5
186.06329	0.7
191.05551	4.3
195.10225	0.3
197.05997	0.4
199.07657	0.3
209.06151	0.3
209.11868	0.4
211.03902	0.3
213.09152	0.8
225.05463	0.5
226.05919	0.3
227.03430	3.1
227.07088	100.0
228.03940	0.3
228.07411	6.5
229.05014	0.2
251.12776	0.8
255.02954	3.9
256.03442	0.7
257.04703	0.3
257.08029	0.3
277.12207	0.8
284.03204	3.5
285.04050	6.1
286.04367	0.5
299.18600	0.7
371.11349	1.0
371.20633	0.9
413.11868	0.3
431.09277	3.0
431.22614	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	431.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22489	1.2
59.01252	28.1
69.53656	6.5
69.54066	4.2
69.63101	1.2
71.01256	5.0
78.49314	1.3
85.02830	2.2
89.02336	4.4
93.03334	1.9
94.69508	1.2
101.02317	1.8
109.02836	2.2
113.02356	2.0
113.23722	1.3
119.03388	1.6
121.02876	4.9
136.05203	1.5
146.03622	2.3
147.04396	6.7
149.02391	1.8
150.03149	2.2
158.03670	2.4
159.04420	7.2
160.05246	17.4
161.05988	8.3
163.03908	3.4
164.04726	3.6
173.04527	2.5
173.05980	3.3
175.07576	13.8
177.05496	5.2
178.06261	5.6
191.05495	5.3
193.08591	1.6
238.29593	1.3
251.12766	3.1
283.09921	1.8
284.10583	4.3
299.13065	2.3
329.13937	100.0
330.14236	10.0
359.02591	1.6
431.18561	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01581	1.1
60.97376	0.1
69.47902	1.1
71.01250	4.1
72.99175	0.2
73.02815	1.3
73.43191	0.1
78.16634	0.2
83.01260	0.4
83.04932	0.2
85.02840	0.9
87.00771	0.3
89.02309	2.7
95.01254	0.4
98.20519	0.3
101.02322	2.6
103.92709	0.2
113.02316	1.8
119.03407	1.0
131.03366	0.3
138.06833	0.2
143.03383	0.3
149.04445	0.5
153.09157	0.5
154.09378	0.2
155.73773	0.1
159.02754	0.2
161.04474	0.9
161.13287	0.2
163.11209	0.2
164.95781	0.2
173.04466	0.3
175.21478	0.2
179.05583	0.2
189.12822	0.7
191.05534	1.0
205.12338	0.7
207.10281	0.2
223.13341	0.2
249.11342	0.6
253.09489	0.2
298.09274	0.3
369.18942	0.2
387.20230	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34172	0.4
52.02056	0.4
55.01746	0.4
55.96914	0.5
57.03334	0.6
57.07534	0.4
58.00475	1.2
59.01251	100.0
60.01588	1.1
69.70888	1.1
69.71309	2.0
71.01254	18.6
72.99193	1.3
73.02819	4.4
83.01270	0.8
85.02834	4.2
87.00780	1.2
89.02320	21.0
90.28942	0.5
91.33601	0.4
95.01289	1.0
99.04431	0.7
101.02324	9.6
109.40647	0.4
113.02326	8.1
119.03391	8.3
131.03387	1.2
137.09645	1.7
143.03406	1.7
149.04474	1.1
161.04431	2.9
161.13293	1.8
179.05525	4.3
179.80386	0.5
205.12347	2.4
226.14445	2.2
249.11324	6.0
251.82397	0.5
257.75455	0.5
370.18927	1.8
388.20151	0.8
429.17786	1.4
430.16977	1.1
451.11252	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40910	0.6
59.01249	100.0
71.20199	1.4
71.20557	0.8
78.95771	1.4
89.02334	1.0
91.03893	1.8
102.48425	0.7
152.99532	2.7
167.58652	0.6
195.13914	1.2
277.21713	1.2
295.22769	12.1
296.23196	1.2
428.65948	0.7
429.30872	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01601	1.3
61.98717	0.7
70.33246	0.8
70.33590	1.5
78.95779	7.0
85.25429	0.6
91.03944	0.7
96.95871	0.7
116.05194	0.5
137.42921	0.5
152.99477	8.0
171.00545	3.3
228.83276	0.5
277.21765	1.5
295.22784	8.2
296.23224	0.8
369.07825	1.2
370.96536	0.5
408.98059	0.5
426.71594	0.5
429.20584	0.6
429.30527	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.5
59.01250	100.0
60.01583	0.9
65.72394	0.3
69.63348	0.5
69.63667	2.5
71.01257	7.0
72.99192	0.5
73.02823	2.2
75.51055	0.4
76.92941	0.3
77.35164	0.3
83.01260	1.0
85.02822	2.2
87.00772	0.9
89.02314	3.4
92.64916	0.4
95.01295	0.6
98.19751	0.5
99.00772	0.5
99.40538	0.4
101.02320	3.7
102.45029	0.4
111.04432	0.5
113.02335	3.2
119.03430	1.1
125.02359	1.6
131.03452	0.7
136.53796	0.4
136.91148	0.4
137.02371	0.5
141.01843	1.3
143.03510	0.5
149.02348	0.5
151.00276	2.0
153.01775	0.6
161.04411	1.6
161.13321	0.4
165.01888	0.4
172.56943	0.3
173.04506	0.9
179.03445	0.9
189.12784	0.7
191.05548	1.3
205.12254	1.2
223.13399	0.5
225.04002	0.7
243.73508	0.4
249.11380	1.1
249.14507	0.3
297.13452	0.6
300.02792	0.4
302.64685	0.3
324.87061	0.4
352.36575	0.4
369.19382	1.0
387.20358	1.4
429.10510	0.7
429.17819	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68193	0.4
57.03312	1.0
58.00469	0.6
59.01249	100.0
60.01582	1.2
65.00199	1.0
69.03339	0.7
69.41832	3.4
71.01252	15.6
72.99186	0.8
73.02818	4.7
82.81559	0.5
83.01248	2.5
84.39931	0.4
85.02824	5.5
87.00751	0.7
89.02316	7.3
93.03368	1.8
95.01258	1.7
97.02840	1.2
99.00763	1.7
99.04408	1.3
101.02325	7.5
107.01302	1.2
111.04403	0.6
112.01855	0.4
113.02325	5.4
119.03362	2.3
121.02857	0.7
125.02327	2.9
127.03895	0.5
131.03421	0.7
135.04411	0.7
137.02328	1.1
141.01830	4.3
143.03369	1.0
149.04451	1.0
151.00270	4.2
153.01855	1.0
155.05507	0.4
159.02927	0.5
161.04463	5.0
161.13307	0.8
164.01109	1.0
165.01892	1.8
173.04514	1.5
175.00293	1.5
179.03447	2.0
179.05594	0.5
181.01413	0.7
189.12758	1.0
191.05544	4.3
205.03354	0.6
205.12334	1.5
208.26103	0.5
223.13406	0.6
225.04039	1.3
225.89822	0.5
249.11317	0.9
255.06538	1.0
255.10927	0.5
267.12482	0.5
271.02499	0.5
291.08478	0.7
297.13461	2.9
300.02777	0.5
324.24823	0.5
352.77960	0.5
369.19275	1.6
387.20337	1.7
429.10489	2.9
429.17728	7.4
430.11902	0.6
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	1.2
57.03317	0.5
58.00471	0.5
59.01250	100.0
60.01594	0.9
61.87642	0.2
70.55451	0.9
71.01251	10.4
72.01613	0.4
72.99200	0.7
73.02818	5.5
81.03348	0.4
83.01254	2.0
83.04896	18.8
84.05244	0.7
85.02824	3.8
87.00755	0.7
89.02318	3.2
95.01268	0.5
97.02835	0.3
97.06487	0.9
98.46184	0.3
99.00758	2.0
101.02322	10.4
101.02998	0.5
102.26190	0.3
107.29107	0.2
113.02317	2.2
118.38899	0.2
119.03385	4.0
123.85963	0.3
125.06005	1.0
137.05933	0.3
137.09695	0.3
143.03387	0.3
149.05998	0.4
159.02913	0.5
161.04471	2.0
167.07053	0.4
168.11711	0.2
181.08714	0.3
201.98026	0.3
213.04430	0.2
247.13362	0.6
250.67026	0.2
265.14566	1.1
343.17575	2.1
429.17899	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.8
57.03299	1.3
58.00469	2.8
59.01250	100.0
60.01596	1.1
66.16636	0.8
71.01254	35.1
71.45263	2.1
71.45597	1.3
72.99210	1.2
73.02824	3.1
81.06937	1.2
83.01253	2.7
83.04895	2.7
85.02818	8.2
87.00727	1.2
89.02318	41.1
95.01273	2.3
99.04411	3.9
101.02317	19.3
108.42223	0.9
111.04433	1.5
113.02328	16.9
119.03389	19.9
131.03383	1.2
143.03365	2.9
149.04501	1.0
161.04478	4.0
161.13264	13.4
162.13712	1.4
165.25594	0.9
179.05565	7.1
187.11192	1.7
195.62434	1.0
195.90919	1.3
200.29117	0.9
205.12288	41.2
206.12560	2.0
249.11296	37.3
250.11667	2.7
283.09772	0.9
294.77359	1.1
335.75351	0.9
385.18481	1.6
392.46896	1.1
429.17496	10.8
443.11142	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40816	1.3
59.01250	100.0
70.08117	6.1
71.01278	1.5
78.95773	9.7
93.03336	2.8
98.33735	1.4
128.67004	1.3
135.04459	1.7
152.99495	10.2
171.13803	2.7
173.04456	3.0
245.02550	1.4
262.17380	1.4
278.32568	1.3
293.21219	3.7
326.60574	1.2
367.13583	6.6
427.21439	1.9
427.28909	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	427.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	65.0
68.35502	4.7
70.28008	5.3
71.01247	5.8
71.58279	6.4
89.02287	5.3
91.03870	21.7
94.08554	4.7
96.95870	6.2
104.48589	4.9
134.03616	5.3
135.04388	6.4
147.48851	4.9
161.02194	5.8
220.14644	10.2
221.15392	100.0
222.15787	6.8
235.59821	5.0
248.96065	5.9
251.09203	8.9
265.87924	5.6
275.16690	6.1
308.97180	5.7
344.94543	6.8
427.14209	13.7
427.27429	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	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02182	0.4
55.01764	0.9
57.03325	1.6
58.00461	2.5
59.01248	100.0
59.98410	0.5
69.50433	1.2
69.50842	2.7
71.01250	37.6
72.99172	2.6
73.02821	3.2
75.00760	0.6
81.06984	1.4
83.01240	3.1
83.04914	0.9
85.02817	7.8
87.00743	3.2
89.02310	40.1
91.20383	0.5
95.01258	2.6
98.20533	1.1
99.00761	0.7
99.04397	4.9
101.02320	22.0
105.07008	0.8
111.04356	1.2
113.02327	15.0
119.03384	19.1
131.03377	1.5
143.03387	4.0
148.28670	0.6
149.04448	1.5
150.06790	0.9
161.04439	2.8
161.13260	17.8
163.11125	0.6
163.66682	0.5
179.05524	6.3
187.11171	1.9
205.12270	45.2
206.12653	2.5
207.13895	1.3
225.14909	2.9
232.20335	0.6
249.11284	65.8
250.11670	4.0
259.28717	0.6
267.12286	1.0
290.26212	0.6
369.19019	0.8
385.18036	1.1
387.20023	1.2
429.17429	42.4
430.17719	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	429.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.1
56.60395	1.2
57.03327	1.4
58.00456	2.8
58.31572	1.0
59.01249	100.0
71.01251	51.4
71.45432	2.1
72.99173	2.8
73.02824	1.9
80.09144	1.0
81.06963	1.7
83.01260	2.3
85.02821	7.7
87.00732	3.5
88.50420	0.9
89.02313	63.7
95.01257	2.6
99.04376	8.0
101.01685	2.0
101.02316	27.5
104.47860	1.0
111.04395	1.6
113.02323	20.7
119.03384	27.0
131.03386	2.8
143.03392	4.4
149.04445	1.6
150.06769	1.2
161.04436	4.0
161.13266	26.1
179.05531	7.6
187.11163	3.0
205.12274	55.9
206.12622	3.9
223.13332	1.3
249.11290	68.2
250.11612	2.8
330.71094	1.1
429.17465	17.8
430.18076	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	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01582	1.1
70.58308	0.6
71.06132	1.0
71.06513	1.8
71.67008	0.6
78.95774	2.4
78.96219	0.6
85.40448	0.6
91.03888	1.1
107.46600	0.6
133.02866	0.9
135.04434	0.6
152.99483	2.5
171.10246	1.4
173.04442	0.8
190.18861	0.6
258.49777	0.7
272.59024	0.7
275.20218	3.9
293.21231	5.4
294.21411	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63841	1.2
59.01249	100.0
60.01583	2.1
71.58279	1.9
78.95781	7.1
79.71499	1.1
93.03318	4.1
98.42223	1.5
104.25333	1.0
113.63688	1.1
120.34410	1.1
152.99483	9.7
171.13853	2.8
173.04483	3.4
293.21155	3.8
299.41327	1.1
340.15793	1.2
345.09985	2.0
367.13306	1.9
427.28610	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47096	0.5
51.79797	0.6
59.01248	100.0
60.01595	1.5
69.87781	2.4
69.88180	1.0
78.95770	4.5
91.03872	0.9
91.12711	0.5
91.78400	0.5
96.63457	0.5
96.95863	0.9
133.02905	1.3
135.04420	1.5
136.68546	0.6
152.99486	8.9
153.99762	0.5
173.04466	0.6
177.01840	1.2
178.02673	1.5
179.03412	2.3
186.49258	0.6
186.85573	1.0
210.82375	0.5
211.06462	0.5
223.13448	0.5
235.16939	3.4
257.19067	0.6
273.03943	0.6
275.20102	7.0
276.20480	0.7
290.97241	0.8
293.21176	3.6
340.15192	0.6
344.94699	0.6
373.74765	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55072	0.5
59.01250	100.0
60.01590	0.8
70.02561	1.8
78.95789	1.5
91.03880	1.5
98.20551	0.7
99.36102	0.5
135.04442	0.6
142.02037	0.6
152.99506	1.9
171.10252	1.2
179.03349	0.7
213.79184	0.5
275.20203	3.4
293.21201	4.6
315.36557	0.6
346.56906	0.5
441.00836	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.6
67.01772	1.5
71.01269	1.5
71.10114	3.2
72.99182	5.1
85.02814	8.6
87.00749	3.9
92.06236	1.2
93.03328	11.6
93.34833	1.3
109.02821	3.4
111.04402	1.9
123.04414	2.3
125.02345	1.7
127.03838	1.7
130.58147	1.4
135.04396	3.3
137.02298	4.1
138.05470	1.6
145.02885	1.7
151.03873	3.6
162.05482	1.6
163.02693	1.7
163.03893	6.7
172.04028	2.3
173.04475	9.4
178.04964	9.1
189.01808	3.5
190.05029	6.1
191.05522	100.0
192.02956	4.4
192.05873	3.4
207.04811	1.4
216.02998	8.2
219.37531	1.4
234.04039	9.7
247.04546	1.9
252.05067	7.1
408.09393	1.8
426.10422	10.5
427.10083	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	426.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.7
57.03310	2.0
58.00458	3.4
59.01246	70.2
60.01577	1.3
61.98726	0.9
66.93485	0.8
69.03331	7.5
70.21579	1.7
70.21975	1.8
71.01250	100.0
72.01571	1.1
72.99181	4.1
73.02821	16.4
75.00747	4.1
76.45338	0.9
80.11726	0.8
81.03328	3.9
83.01256	6.6
84.71703	0.8
85.02827	16.7
87.00742	3.8
89.02314	83.8
90.02651	1.4
93.03354	2.2
95.01258	2.9
97.02823	12.0
99.00758	20.7
99.04382	2.7
101.01687	1.8
101.02317	23.3
108.81090	0.9
111.00759	2.0
113.02325	14.1
114.65233	0.9
115.03898	10.8
119.03416	2.3
121.02806	1.4
123.51103	1.0
125.01430	1.9
125.02335	37.5
126.02661	1.1
127.03892	2.0
131.03484	14.7
131.04800	1.5
135.04375	4.5
143.03378	4.1
149.02318	1.8
149.04449	13.1
159.02875	1.8
161.04474	17.0
163.03938	1.2
164.04608	1.2
168.16721	0.9
173.04466	4.4
175.03914	3.0
179.03416	3.5
188.05534	2.9
189.05544	1.5
191.05539	13.8
221.11871	1.0
223.06076	1.7
233.06624	27.3
234.07080	1.6
293.08765	49.4
294.09113	4.0
345.08917	1.1
419.11462	1.2
426.14102	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	427.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52614	0.2
55.01751	0.7
57.03313	0.7
59.01250	100.0
60.01599	1.5
64.40263	0.3
69.03329	0.4
70.14999	0.8
71.01253	14.7
72.01595	0.3
72.99191	0.4
73.02818	7.4
75.00754	0.3
81.03342	0.6
83.01248	2.6
83.01636	0.2
83.04897	11.8
84.05262	0.3
85.02821	4.0
87.00775	0.7
89.02309	1.8
93.03363	0.7
95.01277	0.7
95.04928	0.5
97.02827	0.3
99.00755	2.7
101.02321	9.1
113.02323	4.3
119.03418	1.1
119.04807	0.3
125.02325	0.5
125.05978	0.3
131.03403	0.5
133.06506	0.8
135.04442	0.6
143.03391	0.5
143.08655	0.2
159.02940	0.4
161.02406	0.5
161.04466	4.6
161.09650	0.8
161.91129	0.2
173.04550	0.8
177.12691	0.2
179.03574	0.4
179.10690	0.4
187.11247	0.6
191.05447	0.6
195.04446	0.2
203.05624	1.1
205.12277	1.3
223.13344	0.6
233.11835	0.6
326.07446	0.3
356.44675	0.2
427.16061	0.9
427.20624	0.4
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
57.03326	1.0
57.49835	0.3
59.01247	100.0
60.01590	1.1
69.03323	0.5
71.01247	13.9
72.99197	0.5
73.02816	4.4
75.00765	0.3
79.35512	0.3
83.01257	1.6
84.71813	0.3
85.02824	5.4
87.00758	1.0
89.02316	3.5
89.48670	0.3
93.03362	0.8
95.01283	1.4
95.04926	0.4
97.02831	0.9
99.00774	1.0
101.02310	5.2
105.09435	0.3
109.02845	0.4
113.02319	8.5
113.05952	0.4
119.03444	0.8
119.04903	1.0
120.09644	0.3
123.08069	0.5
125.02357	0.9
125.05956	0.8
131.03439	0.6
135.04373	0.9
136.05196	1.5
137.02327	0.4
138.06750	4.0
139.07594	1.7
144.20605	0.4
149.02281	0.4
149.04463	0.5
151.07524	4.5
152.04736	0.5
152.08328	15.8
153.09116	23.5
154.09467	1.3
161.02348	0.4
161.04445	3.1
161.09668	0.5
163.03949	0.9
163.11128	0.6
165.09126	1.1
167.07053	0.4
173.04491	0.9
175.00281	0.5
175.07668	0.4
175.11227	0.3
179.03377	0.6
189.09270	0.3
190.02678	1.5
190.09958	0.5
191.05524	1.6
193.04965	0.8
205.05046	1.2
205.12262	12.2
206.12631	1.0
221.04608	0.5
223.13313	2.9
224.13637	0.4
247.06183	0.4
307.08191	0.6
319.04886	0.4
367.17584	12.4
367.22015	0.6
368.17978	0.8
385.18665	1.3
418.70374	0.3
427.11966	0.8
427.19699	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.1
71.58221	0.6
78.95775	42.2
96.96839	6.1
121.86691	0.4
150.97911	1.6
152.99486	100.0
153.99823	1.6
171.00549	6.3
211.13371	0.8
271.22491	0.6
425.23001	4.1
428.01563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.0
57.94546	0.5
59.01252	4.5
69.28334	6.8
71.01245	1.8
76.34037	0.7
78.95744	1.3
83.04901	1.0
89.92445	0.6
90.39075	0.6
90.93211	1.7
92.92674	1.8
165.14520	0.6
183.13817	10.7
193.12277	1.7
195.13824	24.2
196.14151	1.2
211.13338	35.5
212.13718	1.7
213.14934	7.1
230.41405	0.6
291.19711	0.8
302.29684	0.7
309.20676	4.0
310.21121	0.8
313.25217	0.6
315.26874	3.2
359.25903	2.7
377.26898	3.4
407.28134	1.5
425.29065	100.0
426.29388	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	425.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.3
59.01246	2.0
60.80740	0.3
61.84736	0.3
70.33646	0.6
70.34032	0.5
71.01237	0.3
74.81702	0.3
83.04884	0.5
88.41515	0.3
89.02245	0.3
97.06461	0.4
167.14305	0.5
177.12822	0.6
183.13815	11.3
184.14119	0.6
184.88510	0.4
193.12216	1.3
195.13824	25.9
196.14201	1.5
211.13326	34.0
212.13664	2.1
213.14893	9.9
214.15234	0.7
223.13307	0.6
268.40958	0.3
315.26941	3.5
327.26816	0.5
333.27936	0.8
341.24799	0.7
345.29044	0.3
359.25900	3.4
360.26077	0.4
377.27051	2.7
378.27246	0.6
389.27036	0.5
395.28088	1.0
407.28036	1.4
425.29056	100.0
426.29395	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	423.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.3
62.03558	0.3
73.02802	0.3
78.95773	12.3
104.97342	0.5
110.98418	9.2
137.84006	0.3
143.51459	0.3
152.99467	1.2
167.01060	11.1
168.01387	0.5
185.02162	2.7
229.33749	0.3
255.23259	100.0
256.23581	8.8
265.88809	0.3
412.05621	0.3
423.25159	19.0
424.25571	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	423.2753
Annotation	alpha-Phocaecholic acid
Peak:m/z	Relative Intensity
57.03309	0.4
59.01242	1.5
62.97504	0.3
71.07072	0.4
71.58460	0.8
71.58825	0.4
71.73100	0.4
78.19485	0.4
78.95760	0.4
79.52357	0.4
81.70647	0.4
83.61618	0.4
111.08016	0.8
135.23598	0.4
139.03876	1.4
142.67834	0.4
165.12759	7.2
180.24164	0.4
183.13823	100.0
184.14174	5.1
189.90506	0.4
195.12025	0.8
195.13828	16.4
196.14171	0.8
209.11783	1.1
213.14902	13.5
214.15146	1.0
217.08656	0.4
227.12836	6.1
228.13297	0.5
253.99994	0.4
255.23215	0.5
361.27454	11.4
362.27844	1.2
362.58014	0.4
405.26468	1.0
423.27521	29.6
424.27951	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	425.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35165	0.4
51.42031	0.3
59.01253	3.8
65.64363	0.4
71.01241	1.2
71.57792	0.5
71.58147	0.4
85.02815	0.7
86.58987	0.4
88.12323	0.4
92.60610	0.4
96.95853	0.6
116.99406	0.4
148.05177	2.6
164.08220	0.6
167.03362	0.6
175.52979	0.4
181.93097	0.3
205.10278	0.9
205.12263	18.3
206.09418	5.5
206.12431	0.8
207.13850	0.5
220.14622	100.0
221.15186	12.8
235.13338	0.5
295.08633	0.5
368.14685	3.0
425.21841	18.1
426.22012	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	423.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48585	0.2
59.01250	100.0
60.01577	1.3
61.14596	0.3
71.01256	1.4
71.58373	0.4
72.99194	0.4
73.02827	0.7
78.95783	0.4
83.01261	0.4
85.02834	0.7
85.47582	0.2
87.57841	0.2
89.02346	0.7
93.03324	0.5
95.01292	0.3
96.95911	0.4
97.02879	0.3
97.06467	0.3
101.02345	0.9
108.02072	0.7
109.02831	0.5
111.00769	0.3
113.02358	0.5
115.55431	0.2
118.11287	0.2
123.04443	0.7
130.95212	0.2
133.75841	0.3
149.02367	0.5
152.01036	1.7
153.01807	0.3
161.02415	0.3
167.03432	2.5
173.04506	0.6
175.00400	0.4
179.03537	0.3
190.02725	1.1
191.05615	0.6
205.05037	1.1
223.06261	0.3
236.74130	0.3
297.06262	0.3
311.07858	0.8
321.19333	0.6
363.20630	0.3
367.10544	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01597	1.3
70.91986	0.3
70.92330	0.5
71.01249	1.4
72.99184	0.4
73.02827	0.5
77.42410	0.3
78.95772	0.3
83.01234	0.3
85.02842	0.5
89.02328	0.4
93.03387	0.4
95.34512	0.3
96.95879	0.3
101.02335	1.2
108.02058	0.8
113.02351	1.0
123.04387	0.4
149.02406	0.3
152.01021	1.3
163.35118	0.3
165.70078	0.3
167.03395	2.2
173.04446	0.6
190.02617	0.7
191.05592	0.8
205.05049	0.9
255.81609	0.3
301.67139	0.3
311.07800	0.6
316.46838	0.3
321.19067	0.6
341.85059	0.3
344.89664	0.2
363.20493	0.5
367.10553	0.8
423.19455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	17.2
59.38002	2.2
63.27103	1.8
69.03339	3.3
71.57862	2.3
76.03965	1.7
83.04915	3.3
84.02029	14.9
86.43069	1.7
95.04904	6.9
97.02812	14.0
97.06453	17.2
99.04382	4.6
113.02341	2.1
115.19972	2.2
116.70988	2.0
125.09622	1.9
137.09630	2.3
171.10199	26.7
174.65872	1.9
175.10970	2.3
183.13773	3.0
189.05351	2.5
193.08389	32.3
193.12224	12.6
209.11790	4.1
211.13359	2.6
215.10451	7.3
216.50641	1.8
225.14931	15.4
232.10779	3.4
233.11569	8.7
243.15981	4.8
247.13182	2.8
259.09595	2.2
264.09824	21.1
265.10242	3.7
279.12088	7.7
309.13226	4.5
341.11069	2.1
341.23306	100.0
342.23663	14.5
345.20389	2.8
363.20682	17.0
364.20612	2.7
407.20401	4.0
423.23471	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	423.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.4
58.99181	0.8
58.99472	14.8
59.01249	7.9
71.01247	6.0
71.21463	0.8
73.02826	1.8
83.01239	0.8
83.04884	0.4
85.02808	2.1
87.00747	21.9
88.01073	0.5
89.02309	2.9
93.03315	0.4
99.00732	0.5
101.02310	1.3
102.98468	100.0
103.98813	1.3
113.02320	1.0
113.09595	0.4
113.76718	0.4
120.99540	2.5
121.68977	0.3
131.03386	1.6
139.11171	6.1
140.11511	0.4
146.04469	0.6
149.04434	0.9
173.04492	1.1
173.05904	0.4
186.14386	0.4
191.05559	0.8
201.05457	0.4
203.11003	1.4
219.04997	6.3
253.03830	80.0
254.04121	3.4
255.23228	1.3
255.97787	0.4
423.16934	6.0
423.62210	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	5.5
55.27597	0.4
57.03323	4.3
58.00461	1.6
59.01248	41.9
60.01568	0.6
68.99663	0.6
69.03320	1.8
71.01251	72.5
72.01606	0.9
72.99171	3.7
73.02817	38.3
74.03178	0.5
75.00736	2.7
75.88508	0.5
81.03313	0.8
83.01254	15.5
83.15004	0.4
84.01580	0.5
85.02820	38.2
85.99968	1.9
87.00750	4.6
88.27014	0.4
89.02312	14.1
93.03316	0.9
95.01250	4.7
95.84838	0.4
97.02821	3.3
98.20550	0.9
99.00748	15.1
99.04398	0.6
101.02319	75.5
102.02659	1.5
106.52059	0.4
111.00771	2.5
113.02325	25.7
114.02673	0.8
115.03210	0.4
115.03864	2.6
119.03361	0.6
125.02345	4.6
127.11192	1.1
129.01819	1.5
129.12741	1.2
131.03397	3.0
143.03398	3.4
149.04413	2.1
159.02888	5.7
161.04462	28.0
173.04471	1.4
173.11749	0.6
175.05908	0.5
191.05598	0.7
199.13335	1.0
205.03506	0.7
233.06636	4.0
272.15097	0.4
291.18121	100.0
292.18481	8.1
293.08710	1.2
335.17050	1.2
336.90326	0.5
340.66156	0.4
423.22336	93.8
424.17035	0.6
424.22687	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	421.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28115	0.3
59.01247	100.0
60.01579	0.9
69.32043	1.0
69.32466	2.8
71.01242	1.9
72.99219	0.4
73.02834	0.9
78.95781	0.5
85.02804	0.6
93.03326	0.7
98.19799	0.6
99.00742	4.9
101.02326	1.3
113.02341	0.7
138.23395	0.4
161.02325	0.6
173.04491	1.0
179.03415	0.5
185.11740	0.4
229.08327	0.9
239.07120	0.8
259.06320	0.7
289.10651	1.7
289.16647	0.5
319.17776	0.4
369.28632	0.4
393.13467	1.6
421.14883	0.9
421.20013	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66791	0.4
53.36957	0.4
70.57298	1.6
78.95773	33.5
98.19832	0.7
102.50130	0.4
110.98415	52.7
119.99774	0.4
127.16254	0.5
141.25693	0.5
152.99481	5.5
153.25058	0.5
167.01071	1.6
185.02129	100.0
186.02472	2.0
194.41391	0.5
205.29948	0.5
220.32988	0.5
221.13010	0.6
223.16730	0.5
253.21719	22.1
254.22055	2.2
325.40176	0.6
339.19934	0.6
421.23590	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	421.2595
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03325	1.7
59.01251	5.9
69.03325	1.3
70.07359	2.5
71.01234	0.9
71.04899	0.7
78.95782	0.7
81.03333	1.0
83.04896	6.6
83.37067	0.6
85.06464	2.5
90.03355	0.6
95.04929	1.0
97.06469	2.8
107.04875	0.6
109.06473	2.2
111.08031	3.1
119.04900	0.8
123.08050	2.3
125.09626	8.4
127.11163	0.7
133.02859	1.3
133.10178	1.1
135.08080	0.8
137.09625	1.2
149.09663	0.6
151.11182	1.1
169.12244	0.7
171.10168	22.5
172.10614	0.8
178.69324	0.6
183.13805	0.9
187.14799	1.7
189.16292	1.4
205.15944	3.2
209.11784	2.7
211.13351	5.8
215.14357	2.1
219.10255	1.0
221.15408	1.9
225.05441	0.8
231.13922	2.3
233.15422	29.6
234.15758	3.2
235.13452	0.8
239.16612	0.9
246.62543	0.7
249.14961	12.0
250.15311	1.4
251.16557	1.4
252.13774	0.9
257.17511	2.1
283.06241	2.0
283.19272	1.3
323.23947	0.7
331.26578	2.0
341.24951	2.0
357.24155	1.0
359.25949	1.4
367.22818	0.8
375.25247	1.5
377.26855	2.6
385.23740	4.8
393.26468	2.0
403.24884	57.8
404.25174	6.9
421.25937	100.0
422.26315	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	423.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	39.2
67.67056	3.7
69.03323	16.6
69.73528	23.9
71.01260	10.0
72.20873	4.5
78.40875	3.6
78.95776	5.2
89.02312	11.8
96.95891	4.1
98.19786	6.8
101.02323	7.8
103.91870	5.5
119.03371	5.1
123.08037	3.7
129.07884	3.8
129.09428	4.1
137.09630	30.5
171.10175	12.0
183.13820	8.9
183.65120	4.2
196.16991	7.4
211.07910	5.0
211.13321	100.0
255.06912	43.2
285.04263	13.5
299.05820	67.1
363.12735	10.6
405.26419	11.5
423.14899	29.1
424.15244	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47482	0.7
52.74878	0.8
53.35375	0.7
56.36156	0.6
59.01249	21.5
66.03344	0.8
67.56261	0.8
68.01295	1.0
69.03331	1.1
70.02840	7.0
71.01237	3.8
71.04859	0.7
72.00777	26.3
72.99183	4.0
73.02815	2.7
77.64350	0.6
79.61008	0.6
80.04890	1.1
82.02855	3.2
83.01259	1.0
83.04882	1.2
84.04438	1.2
85.02813	2.8
86.02343	4.5
87.00742	1.3
87.94009	0.7
88.11631	0.7
89.02316	1.9
90.05679	0.6
93.03320	1.7
94.02876	2.9
96.00819	1.1
96.04424	10.5
96.95860	1.0
97.02831	1.6
97.03948	1.1
98.02357	9.2
98.05960	1.1
99.00748	3.7
100.03922	3.7
101.02313	2.4
106.06494	2.2
107.03620	0.9
108.04423	3.2
108.05132	0.8
112.03906	1.3
113.02312	1.1
113.03461	0.9
115.04993	3.3
116.03429	3.6
119.53275	0.8
120.01173	1.4
120.04429	1.1
122.05995	2.5
123.03151	0.9
124.03904	2.2
124.07571	6.3
128.03412	1.8
132.04439	0.7
134.06032	1.6
135.04454	0.9
135.98700	0.8
136.03928	3.4
136.07570	0.9
138.05495	3.6
139.04979	0.8
139.08643	0.8
140.07062	1.1
143.04521	7.0
144.02921	31.9
144.04047	1.7
149.07080	1.8
150.05521	6.6
152.07005	1.0
154.04988	1.2
161.05579	2.6
161.07143	1.1
167.08192	7.0
168.06583	2.0
173.04498	1.5
179.08224	4.3
180.06566	1.7
191.05511	3.4
197.09258	3.9
206.04501	1.1
211.07149	1.2
215.10277	1.7
224.05595	1.9
229.52060	0.7
241.08247	31.6
241.14343	0.8
242.06595	1.3
242.08716	0.9
259.09320	100.0
260.09723	5.7
361.15308	1.0
403.18802	1.6
421.16418	2.4
421.20905	1.7
421.25201	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.1
61.27963	0.5
66.03336	0.6
68.01278	1.8
69.03326	0.5
69.36060	5.4
70.02848	7.2
71.01268	3.1
71.02366	1.0
72.00776	20.9
72.99188	4.6
73.02825	2.8
74.02355	0.9
80.04913	0.9
82.02843	4.0
83.04905	0.7
84.04442	0.6
85.02817	1.3
86.02352	3.4
87.00752	0.9
89.02295	0.9
93.03314	1.3
94.02855	2.6
94.06532	0.6
96.00797	1.3
96.04420	10.2
97.02846	1.6
97.03954	0.8
98.02351	8.8
98.05994	1.0
98.20576	1.1
99.00756	4.5
100.03905	3.0
101.02262	0.5
106.06503	2.7
107.03641	1.5
107.04906	1.3
108.04430	3.3
110.06021	0.8
113.03474	1.0
113.73605	0.5
115.05019	2.2
116.03426	3.2
120.04443	1.3
121.02808	1.1
122.05987	2.6
124.03936	2.2
124.07568	5.0
125.03442	1.2
128.03392	2.3
134.05986	2.3
135.04416	1.1
136.03931	2.2
136.07611	0.7
138.05510	3.5
139.75699	0.5
140.07007	1.0
142.01328	0.9
142.04970	0.6
143.04509	5.3
144.02922	29.1
145.03310	0.8
149.07100	1.6
150.05502	5.8
152.07111	1.2
153.06616	0.7
154.04987	1.9
155.10657	1.5
161.05621	1.7
161.07103	0.8
162.05502	1.3
167.08179	6.1
168.06569	2.5
173.04465	1.4
179.08182	5.0
180.06633	2.7
188.09109	0.9
191.05513	2.1
195.07768	0.6
197.09314	3.8
199.09799	0.6
206.04504	0.8
211.07236	0.6
215.10326	1.2
217.10669	1.6
224.05550	1.4
241.08261	30.8
242.06468	0.9
242.08650	1.8
259.09332	100.0
260.09683	4.9
279.93100	0.5
300.82416	0.6
322.60519	0.5
421.25034	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1869
Annotation	2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)-methyl]-1,4-butanediol
Peak:m/z	Relative Intensity
59.01250	13.2
65.91590	0.3
69.03313	0.6
69.35478	2.4
69.35905	0.5
71.01252	1.5
72.99185	0.5
73.02818	0.5
83.01243	0.4
85.02807	0.6
89.02310	0.9
93.03342	0.7
95.01276	0.6
95.04891	0.4
97.02826	0.8
101.02296	0.8
108.02052	0.7
109.02831	5.0
111.04397	0.4
112.79404	0.3
113.02325	0.5
116.69117	0.4
119.04900	0.9
121.02848	1.6
123.00774	0.8
123.04430	0.9
124.01550	6.2
125.02343	8.6
125.05954	0.4
131.04884	0.5
133.06497	0.6
135.04393	1.3
136.01509	1.3
137.02342	26.1
138.03149	9.1
139.03912	14.0
140.00970	0.4
140.04218	0.3
143.04710	0.4
145.02846	0.7
147.04332	0.9
149.05963	1.0
150.03075	0.6
151.03914	13.2
152.04695	5.1
153.01830	0.7
153.05467	2.5
154.02621	0.5
159.04422	1.9
161.02342	1.8
161.05975	0.7
162.03125	2.4
163.03909	4.0
164.04672	2.2
165.05457	3.0
166.02632	1.2
166.06273	3.8
167.03363	0.9
167.06897	0.4
170.02171	1.6
173.04553	0.4
174.03137	0.4
175.03894	3.3
175.07469	0.4
176.04703	8.7
177.05479	15.3
178.05881	1.2
179.03416	2.2
179.07051	0.8
180.04195	7.6
181.04976	11.6
184.03682	2.7
188.04684	1.3
189.05486	2.4
190.06250	2.9
191.03363	0.5
191.05540	0.8
191.07082	5.5
192.07837	2.7
193.04980	1.4
194.05772	6.6
195.06549	23.0
196.06863	1.4
198.05167	1.8
198.26923	0.3
203.06990	1.2
204.07909	0.7
205.04939	0.9
205.08615	1.2
206.05804	1.9
206.09283	1.0
207.06584	5.4
208.07236	0.8
209.04520	0.6
209.08141	5.9
210.08543	0.7
219.06494	0.5
219.10117	0.4
220.07269	0.4
221.08147	1.0
224.06877	0.6
225.07634	0.5
233.08107	0.4
235.09671	0.4
236.06807	0.6
237.07635	1.2
238.08449	0.8
239.09122	0.5
241.47620	0.4
251.77267	0.3
253.10814	1.0
272.16449	0.3
289.16806	0.4
296.06854	0.4
311.09158	0.4
313.07281	0.6
315.12299	0.5
317.10571	0.5
328.09653	0.5
331.11893	0.8
343.11813	5.0
344.12311	0.4
357.13220	0.4
358.14175	4.7
359.14960	0.8
361.12909	9.5
362.13336	1.0
371.14972	1.2
373.16592	12.5
374.16830	1.2
375.14560	2.5
376.15143	0.7
377.16208	0.4
388.15070	1.4
391.13919	12.6
391.18839	0.8
392.14233	1.2
403.17593	2.7
405.15244	0.6
406.16293	33.2
407.16550	3.4
421.18658	100.0
422.18979	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	420.275
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
59.01241	2.3
59.88296	0.4
63.77650	0.5
71.58286	0.7
83.16164	0.5
88.00287	0.6
88.98675	1.6
97.02836	1.0
121.02837	100.0
122.03159	3.9
158.38293	0.5
380.04932	0.5
419.57605	0.6
420.27542	50.5
421.15549	0.8
421.27896	7.0
439.37189	0.6
444.81564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24965	4.0
59.01251	100.0
67.24433	4.2
68.15508	4.2
70.02831	4.9
71.01257	20.3
71.58689	6.8
72.00794	7.1
72.99155	5.6
73.02808	15.4
74.02337	10.4
78.65573	4.3
85.02824	9.7
87.00744	7.0
89.02298	9.9
93.03316	10.4
98.02338	7.0
99.00736	5.3
101.02320	12.6
109.02824	4.8
116.03423	10.6
121.02750	5.4
133.02864	6.0
134.03673	5.7
135.04424	23.6
137.02327	4.9
137.09592	8.3
143.04523	6.5
144.02928	13.3
155.10666	24.3
161.02342	9.1
165.05534	5.9
173.04492	15.6
175.03842	6.5
179.03395	13.5
191.05559	18.4
197.09291	5.0
199.09724	10.9
217.10793	25.3
241.08290	10.3
259.09265	26.4
259.11920	23.4
271.02585	10.9
299.01968	12.3
318.55902	19.1
319.06274	12.9
322.75452	5.4
361.15048	8.0
378.23511	5.3
403.23395	5.9
421.11307	3.8
421.16418	85.5
421.22192	5.4
421.24780	14.5
422.11319	4.7
422.16626	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	419.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75951	0.4
59.01249	27.4
61.98704	0.5
71.01237	0.6
71.20492	0.4
71.58359	0.5
87.04388	100.0
88.04708	2.0
96.95901	0.9
119.14301	0.4
142.12599	0.4
150.03119	0.5
151.04025	0.4
211.13428	1.3
227.07004	2.0
307.13235	0.5
371.49686	0.4
419.17447	0.6
419.27994	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	419.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01581	0.9
66.70549	0.5
70.77610	0.5
71.01259	1.8
71.10880	0.5
71.58622	0.7
73.02827	0.6
85.02835	1.4
87.00748	0.6
87.04388	50.5
88.04719	1.2
93.69026	0.5
101.02336	1.6
113.02367	0.8
125.27814	0.5
127.07545	0.6
138.86021	0.5
143.04929	1.6
161.04454	0.6
211.13365	0.8
227.07167	1.5
230.96278	0.6
381.14435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38807	0.5
59.01248	100.0
60.01595	0.9
61.63932	0.5
63.58278	0.5
65.93165	0.6
71.01282	0.9
71.27133	1.0
74.26897	0.6
75.00783	0.7
80.28969	0.6
87.04387	60.3
88.04742	1.1
96.95881	0.7
101.02371	0.9
134.09724	0.9
190.12227	3.2
211.13405	1.5
345.22000	0.8
389.52972	0.6
419.28000	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45093	0.9
55.65002	0.8
59.01249	100.0
60.01577	1.1
71.01273	1.7
71.58266	0.8
73.02824	1.0
84.05305	0.9
85.02813	1.8
101.02313	2.0
121.02846	0.9
132.94060	0.7
148.43414	0.7
173.04367	0.9
179.03378	0.8
211.13287	1.2
283.95181	0.8
315.96918	0.8
377.20886	1.1
398.21869	1.1
401.27039	1.8
408.31271	0.9
419.13141	1.8
419.28229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01734	1.8
57.03313	2.8
59.01251	56.9
60.01576	1.0
64.61192	0.9
69.03288	1.1
70.25102	4.6
71.01254	24.1
71.01650	1.3
72.99168	2.0
73.02811	6.8
73.37828	0.9
83.01244	4.2
85.02822	9.2
85.06459	1.8
85.99977	1.5
87.00734	5.5
89.02321	5.0
93.03361	1.2
95.01269	1.9
97.02808	1.3
98.19833	1.0
99.00741	3.0
101.02319	12.0
107.06602	1.0
111.00808	1.7
113.02310	3.8
113.09593	1.4
115.07525	4.0
119.03379	1.8
123.69530	0.9
124.01501	1.1
125.02296	1.8
127.03856	2.5
143.03409	1.1
163.24738	1.0
169.15866	2.7
173.04471	1.2
197.15459	5.0
213.14934	1.3
215.16455	47.4
216.16772	3.6
227.16490	2.0
229.17941	1.7
268.73154	1.0
287.14941	1.9
315.27567	1.1
359.20737	26.0
360.21054	2.9
377.21783	66.0
378.22177	6.5
419.22842	100.0
420.23141	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	419.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
71.58076	21.4
79.02759	14.4
82.08696	15.0
88.98666	30.3
89.99045	13.8
93.57168	15.2
118.96676	16.9
120.03576	15.7
178.88277	20.6
191.96846	16.4
198.99898	15.9
209.39932	17.4
272.60239	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	419.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
59.72292	2.7
60.83971	3.1
65.39389	3.0
69.29580	28.2
69.29988	7.0
71.01246	6.4
73.02815	6.8
85.02809	4.6
89.02300	4.6
95.31800	3.1
101.02319	7.4
113.02332	5.2
117.38249	2.8
137.02284	3.6
173.04420	5.1
373.18930	4.0
419.26660	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	419.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.5
57.03317	4.1
59.01250	100.0
71.01247	24.3
72.99193	2.6
73.02812	6.7
85.02830	10.4
87.00738	2.7
89.02316	11.3
94.54415	2.1
96.95892	2.3
99.00750	3.9
101.02309	13.5
108.02039	3.3
113.02319	8.0
119.03339	4.2
135.04393	6.0
137.02327	9.0
145.02759	2.4
147.04364	6.7
151.03905	7.0
152.01038	4.4
161.02321	6.7
161.04430	7.6
163.03874	6.6
167.03467	2.7
173.02325	2.6
173.04512	12.3
174.03091	4.4
175.03909	28.1
176.04802	12.1
179.03316	5.7
180.04178	7.7
181.04863	2.6
188.04692	4.4
189.05486	9.5
190.06282	24.9
191.03537	3.0
191.05513	7.7
191.07042	19.8
192.04253	2.7
193.05049	10.7
194.05701	8.0
201.09055	2.6
203.07071	3.1
205.08591	18.4
207.06500	9.3
208.07390	4.6
245.07954	2.4
306.77344	2.5
317.16080	6.9
329.10168	3.1
389.16080	82.9
390.16370	9.5
419.22250	11.9
420.23041	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	419.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89175	0.6
59.01250	10.7
60.35543	0.7
65.92699	0.7
69.47346	5.8
71.01261	3.9
72.99180	0.9
73.02839	0.7
82.17799	0.8
85.02831	1.0
89.02309	0.9
89.27798	0.9
91.66472	0.8
101.02271	1.7
109.02876	1.2
111.47558	0.7
113.02337	1.5
117.31170	0.7
119.04919	1.3
133.02843	1.6
135.04503	1.2
136.01584	1.1
137.02357	8.2
139.00282	0.7
145.02814	2.5
147.04390	5.0
150.03154	0.8
150.10661	0.8
151.03917	8.4
152.01059	1.7
152.04691	1.5
153.01772	1.5
158.03600	1.3
161.02333	2.2
161.06033	1.0
162.03201	0.8
163.03932	8.1
164.04327	0.8
165.01814	1.2
166.02649	1.3
167.03343	2.2
173.02364	2.9
173.04491	2.6
173.05894	0.8
174.03160	4.9
175.03917	27.6
176.04697	8.5
177.01860	0.9
177.05476	3.0
179.03416	2.5
180.04172	12.6
181.04951	1.9
188.04758	4.3
189.05498	10.0
190.06277	28.1
191.03488	1.4
191.05602	0.9
191.07060	18.4
192.07422	1.2
193.04961	11.2
194.05785	9.1
203.07042	2.9
205.08627	22.3
206.09004	1.2
207.06546	9.2
208.07359	10.7
222.08942	1.4
223.09666	1.0
344.01810	0.8
374.13641	3.0
389.16058	100.0
390.16394	11.8
419.13696	1.2
419.22659	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	417.3373
Annotation	4beta,7alpha-dihydroxycholesterol
Peak:m/z	Relative Intensity
50.51768	0.5
53.01903	0.5
53.53568	0.6
76.70142	0.7
81.81094	0.6
107.04897	11.6
122.03630	1.2
125.59138	0.5
135.04417	100.0
136.04727	3.8
148.05191	1.0
161.05978	4.7
162.06714	0.9
175.07637	1.1
175.66963	0.6
212.31259	0.7
212.74106	0.6
287.48746	0.7
291.26477	0.6
402.26596	1.0
402.31421	11.0
403.31580	2.2
417.33746	69.0
418.28528	0.7
418.34140	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	419.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31816	0.7
59.01254	12.7
69.49120	1.8
69.49528	3.4
71.01254	1.0
71.88896	0.8
77.57732	0.7
85.02821	1.4
89.02331	0.9
93.03283	0.9
109.02844	1.5
122.03612	3.2
135.04364	1.0
137.02327	9.1
139.62238	0.7
145.02852	4.1
147.04422	6.0
150.05548	1.2
151.03918	7.4
152.04597	1.1
153.01796	1.8
154.02673	0.8
158.03653	1.1
159.04393	0.9
161.02391	0.8
161.05971	1.4
162.03119	1.3
163.03912	7.1
163.41737	0.8
164.04568	1.0
165.01826	2.1
165.05536	4.6
166.02499	1.6
166.06200	0.9
173.02344	1.9
173.04462	1.0
174.03107	6.4
175.03912	26.8
176.04703	9.1
177.01791	0.8
177.05498	2.8
179.03416	1.6
179.07077	0.9
180.04190	9.6
181.04918	2.5
188.04723	5.2
189.05493	9.7
190.06267	26.1
191.07060	20.9
192.04166	1.9
193.04985	8.7
194.05804	7.9
203.07022	3.0
205.08647	21.0
207.06551	8.4
208.07344	12.0
209.07808	0.8
222.08937	2.1
223.09685	1.1
255.11383	1.6
257.09396	1.4
287.15067	2.6
301.10925	1.0
329.10315	0.8
344.33411	0.7
345.67142	0.8
347.15067	13.1
348.15353	1.1
359.11200	1.1
362.24707	0.9
374.13718	3.1
375.13309	1.0
387.08325	1.5
389.16049	100.0
390.16348	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	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.5
57.03300	1.8
58.00465	4.7
59.01250	100.0
60.01586	2.0
65.04644	1.1
69.03311	1.3
69.12450	1.0
69.52835	8.0
71.01252	62.9
72.01573	1.2
72.99165	4.4
73.02805	4.2
75.00749	1.5
80.69135	1.0
83.01243	2.7
85.02813	12.1
86.25782	1.0
87.00743	4.0
89.02315	82.4
90.02680	1.1
93.03316	1.3
95.01245	4.2
96.46075	1.0
96.95889	1.2
97.06522	1.1
99.04388	16.6
101.02324	37.6
113.02321	24.6
114.02652	1.4
119.03384	32.9
121.02822	1.1
125.02303	1.2
131.03395	3.1
143.03384	6.8
149.04446	3.0
151.00240	1.7
155.03365	1.1
161.04468	6.0
163.14709	1.1
165.97272	1.2
166.02611	2.5
173.04411	1.8
179.05560	14.0
180.99696	1.0
181.04979	3.4
191.05467	3.5
192.75349	1.0
198.81000	1.0
211.07530	2.1
212.08058	1.2
222.22726	1.2
237.14919	65.6
238.15205	4.4
254.05820	3.7
285.17081	1.4
343.21127	1.3
417.11517	2.2
417.20590	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	417.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69384	0.3
59.01248	100.0
60.01572	0.9
71.57700	0.6
88.29128	0.4
119.24944	0.4
207.22925	0.3
321.59641	0.3
409.42743	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01581	1.0
63.84164	0.4
70.71776	1.2
128.92625	0.3
130.41769	0.4
147.76128	0.4
161.37038	0.4
187.09761	0.7
291.95059	0.4
313.80048	0.4
349.17105	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01788	1.3
57.03315	1.4
59.01250	77.5
69.03323	1.8
69.50665	9.7
71.01250	35.5
72.99194	1.6
73.02813	25.1
73.67270	1.3
75.00708	1.2
83.01260	7.1
85.02824	6.9
87.00761	3.4
89.02315	14.3
93.28040	1.2
94.95625	1.3
95.01268	3.0
98.20570	2.0
101.02323	28.2
113.02326	12.3
119.03391	4.5
143.03363	2.0
161.04485	2.4
180.49376	1.2
193.38210	1.4
195.13808	17.7
213.14964	7.7
240.70680	1.3
243.39200	1.2
272.01883	1.2
300.26434	1.2
319.64548	1.7
331.20996	1.6
340.41092	1.1
357.19177	16.8
358.19617	1.9
359.11169	1.4
375.20215	39.1
375.24982	2.4
376.20691	3.4
417.21240	100.0
418.21552	10.7
432.62912	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	415.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.7
57.03323	2.4
58.00471	1.0
59.01248	100.0
60.01588	1.2
68.99686	0.5
69.03326	2.0
71.01251	28.5
71.04895	1.3
71.07629	0.9
72.99187	1.5
73.02814	12.6
75.00749	0.8
81.03362	0.6
83.01255	3.5
83.04897	1.0
85.02823	9.0
87.00771	2.1
87.04403	1.6
87.48353	0.4
89.02313	13.1
93.03369	0.5
95.01286	2.0
96.89472	0.4
97.02874	0.5
99.00774	1.5
99.04391	2.1
101.02318	17.8
102.02631	0.5
113.02330	12.6
115.03875	1.0
115.07484	0.6
119.03392	5.1
125.02365	1.1
131.03429	1.4
141.09126	0.8
143.03429	1.9
149.04489	0.7
159.03014	0.7
161.02332	0.5
161.04436	6.6
173.04437	0.7
173.13387	0.5
179.05577	0.8
181.01425	0.7
183.13832	1.1
191.05615	0.8
203.05560	0.7
211.06133	1.0
235.17029	0.9
245.43259	0.5
253.18242	1.3
283.12289	0.8
283.15573	2.2
283.18796	1.0
339.09793	1.1
342.46323	0.5
415.19235	1.0
415.24103	2.7
416.09964	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
70.81720	4.1
70.82070	2.0
72.78881	1.7
107.04889	2.3
132.08298	1.7
135.04422	19.6
183.17996	2.1
220.79773	2.1
303.94208	2.0
399.19653	2.6
400.29736	3.2
415.32230	13.6
416.32434	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	415.3216
Annotation	5alpha,8alpha-Epidioxycholest-6-en-3beta-ol
Peak:m/z	Relative Intensity
56.97850	0.1
59.01247	0.3
62.70863	0.1
69.78212	0.2
69.78623	0.5
70.67200	0.1
80.19093	0.1
98.20451	0.2
117.89759	0.1
152.99525	0.3
197.67941	0.1
279.23358	1.1
295.10147	0.1
415.32162	100.0
416.32489	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	417.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	14.4
67.01768	3.7
67.74332	3.0
68.94892	3.1
71.01257	6.6
71.14825	5.9
71.15166	6.5
72.99174	6.8
83.01234	3.2
83.04887	4.8
85.02827	15.1
87.00750	5.1
87.16357	3.5
93.03323	28.3
95.01231	4.5
95.04898	4.0
105.03345	3.9
109.02818	7.8
111.00751	3.4
111.04387	10.6
121.02827	22.7
123.00734	6.3
123.04388	8.6
133.02814	7.1
134.03607	23.9
137.02336	14.4
139.03868	5.9
148.01544	15.7
149.02333	30.2
149.05997	3.9
150.03062	8.1
151.03914	5.8
153.05441	6.4
155.03418	4.2
163.03918	19.0
165.05556	4.1
166.02635	10.9
167.03371	5.5
173.04480	27.0
179.03444	4.4
181.04968	9.1
191.05524	100.0
192.04248	4.1
192.05821	5.7
193.01366	5.3
193.04968	29.6
207.03018	6.0
209.04503	8.5
217.60468	3.3
221.05112	3.7
313.54706	3.5
366.09698	6.1
367.10300	12.5
380.99725	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	415.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39235	0.5
55.12798	0.6
55.75730	0.5
59.01245	16.4
68.99683	32.5
69.96391	3.0
70.00046	0.6
71.01244	8.6
72.99182	0.8
73.02818	5.9
81.43126	0.6
83.01243	0.9
85.02802	3.3
87.00726	0.6
89.02305	2.0
91.64734	0.5
95.01255	0.8
99.00748	100.0
100.01099	1.8
101.02328	5.3
113.02318	2.4
121.02909	0.7
125.09597	3.9
132.55496	0.6
149.05969	3.3
154.02463	0.6
161.04440	4.5
171.10190	3.9
187.09648	1.4
193.01340	0.8
205.08588	1.4
223.06172	1.0
223.09680	12.2
224.09837	0.7
244.66745	0.6
261.13379	0.9
310.89191	0.7
315.18073	2.5
346.99042	0.5
415.19434	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01585	0.8
65.46146	0.3
69.38706	1.9
69.39121	0.7
71.01254	4.9
72.99218	0.3
73.02802	1.7
83.01257	0.5
85.02812	2.2
85.71675	0.3
87.00777	0.4
89.02316	1.7
95.01298	0.3
99.00774	0.4
101.02332	2.3
113.02300	1.8
113.09550	0.3
119.03421	0.5
128.03384	0.3
129.39514	0.3
137.78476	0.3
143.03435	0.3
144.33806	0.2
161.04477	1.2
172.47388	0.3
190.84850	0.3
333.38217	0.3
355.21219	0.3
373.22345	1.5
415.23352	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60099	0.3
55.01743	0.9
57.03325	1.0
58.00460	0.5
59.01248	100.0
60.01586	1.2
69.03320	0.4
69.32118	0.6
69.32525	2.2
71.01253	10.8
72.01577	0.3
72.99187	1.0
73.02816	5.5
73.03232	0.3
79.18037	0.3
83.01259	2.5
85.02827	4.5
87.00762	0.8
87.97992	0.3
89.02311	5.1
95.01281	1.2
97.02839	0.4
97.06499	0.3
98.20570	0.5
99.00778	1.0
101.02316	8.6
102.02693	0.3
111.00744	0.4
113.02331	4.2
116.80418	0.3
119.03394	2.0
125.02359	0.4
131.03386	0.5
133.02876	1.0
135.04407	3.0
143.03439	0.5
149.04446	0.3
159.02937	0.3
161.02376	3.3
161.04453	3.1
179.03471	1.5
179.05521	0.4
193.12317	0.8
196.03755	0.6
211.13434	0.3
221.06755	0.3
226.76357	0.3
253.07161	1.9
283.11887	0.5
308.01361	0.3
329.19946	0.3
355.17752	0.8
355.25058	0.5
373.18164	1.7
373.22498	2.6
415.10580	2.4
415.19370	6.3
416.20132	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1973
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
59.01249	100.0
60.01590	0.9
61.60939	0.4
71.01248	3.0
71.58072	0.4
72.99191	0.5
73.02811	1.8
83.01251	0.6
83.04862	0.3
85.02834	1.0
87.28500	0.3
89.02325	1.2
92.96776	0.3
93.03368	0.4
101.02322	2.0
101.19881	0.4
109.14114	0.4
113.02346	1.4
119.03428	0.6
119.04967	0.4
121.06444	0.3
161.04514	0.5
173.04585	0.4
193.06595	0.4
209.08192	0.7
211.13403	0.6
221.66335	0.3
223.05937	0.3
248.42339	0.3
294.10269	0.5
299.64191	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35132	0.5
59.01248	100.0
60.01575	0.7
67.96035	0.5
71.01252	7.2
72.99190	0.7
73.02811	2.3
75.56016	0.4
83.01263	1.7
85.02831	2.4
89.02326	3.3
93.03350	0.9
95.01306	0.5
98.18054	0.4
98.20528	1.7
99.00746	0.7
101.02306	3.9
108.04487	0.7
113.02326	3.4
114.22606	0.5
119.03432	1.5
121.02840	0.5
127.25892	0.5
135.04420	0.6
137.02351	0.7
141.01622	0.9
161.02362	0.7
161.04510	1.7
163.01643	0.5
167.85870	0.4
173.04512	0.8
179.03412	0.5
181.67055	0.5
188.10776	1.4
193.01425	1.5
207.36896	0.5
208.03705	0.9
223.06126	1.4
244.97586	0.5
268.61514	0.5
305.88663	0.5
353.52768	0.5
371.19836	0.5
373.22287	3.5
397.17917	0.9
415.13998	0.9
415.18729	0.8
415.23450	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1971
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01753	2.5
57.03333	1.9
57.03579	0.4
58.00467	2.7
59.01250	100.0
60.01573	1.8
61.01672	1.4
61.92601	0.4
69.03330	1.3
71.01252	65.6
71.04897	0.6
72.01585	0.8
72.99176	3.2
73.02818	58.6
74.03162	1.0
74.86687	0.3
75.00739	0.8
81.03340	1.3
83.01256	21.5
83.04893	0.5
84.01592	0.5
85.02818	11.4
87.00752	2.5
89.02316	22.7
91.22784	0.4
95.01262	2.8
97.02813	1.5
98.20650	0.8
99.00759	3.7
99.04392	1.0
101.02320	64.1
102.02644	1.1
109.19854	0.4
111.00738	0.6
113.02332	17.8
117.01820	0.5
119.02574	0.5
119.03380	8.4
125.02318	2.4
131.03392	4.0
143.03410	3.6
149.04442	3.0
155.03357	1.6
157.08484	0.4
159.02858	1.3
161.02380	0.5
161.04456	11.4
170.52792	0.4
173.04376	0.4
177.01866	0.6
179.03426	0.5
179.05397	1.2
181.12550	0.4
191.05400	0.4
193.10704	0.6
193.12280	7.2
194.12599	0.6
203.05489	0.7
205.01352	3.5
206.02130	3.5
207.02907	3.2
211.13388	2.6
217.15964	0.4
355.17505	3.1
370.68915	0.4
373.18594	7.8
374.18561	0.7
397.21896	0.5
415.10080	0.9
415.19131	16.5
415.22949	2.1
416.19547	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1609
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01758	1.4
56.17390	1.1
56.38568	1.1
57.03313	1.1
58.00463	3.4
59.01249	73.6
62.74473	1.2
69.03313	1.4
71.01251	57.5
72.99177	3.9
73.02813	17.4
75.00713	1.4
85.02824	7.6
89.02316	100.0
90.02637	1.4
95.01286	1.3
97.02850	2.7
99.00756	28.0
101.02321	33.9
101.64260	1.2
102.02666	1.2
113.02324	12.8
115.03873	1.7
119.03366	7.9
125.02323	4.7
130.28658	1.2
131.03389	18.4
139.07588	1.7
143.03395	2.2
149.04453	60.6
161.04457	5.0
162.02496	1.2
167.10649	2.0
173.04451	1.8
177.84427	1.1
191.05531	16.5
221.06706	2.8
251.07664	4.9
269.10342	2.4
283.11929	3.3
283.15479	6.5
286.57269	1.4
293.44617	1.1
314.99509	1.3
339.06866	1.3
373.14642	1.6
415.15967	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	415.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	6.6
57.03320	5.8
58.00467	2.4
59.01248	46.9
60.01575	0.6
61.98676	0.4
68.99702	0.7
69.03325	2.6
69.44853	0.4
69.52264	1.2
69.52679	1.9
71.01250	80.9
72.01586	1.3
72.99180	3.6
73.02815	35.1
74.02332	0.4
74.03152	0.6
75.00742	1.7
81.03325	1.5
83.01254	27.2
83.04874	0.4
84.01594	0.8
85.02817	41.7
85.99959	0.9
86.03152	0.7
87.00744	4.1
89.02312	10.5
93.03351	0.4
95.01263	6.7
97.02834	4.4
99.00753	12.9
99.04391	1.1
101.02318	76.6
102.02665	1.4
102.20255	0.4
103.03893	5.2
107.04924	0.7
108.02053	1.2
109.02851	1.2
111.00761	0.9
111.04395	0.4
113.02325	30.2
114.02664	0.8
115.03922	0.9
117.05473	0.5
119.03398	2.8
123.04382	0.7
125.02323	7.6
127.03879	0.9
129.01836	1.4
131.03453	0.7
135.04417	0.8
139.07466	0.4
141.80638	0.3
143.03397	6.2
145.04942	2.1
152.01076	0.9
153.01825	0.5
159.02893	8.2
161.04454	60.1
162.04739	2.0
163.06062	2.7
167.03430	1.5
167.10608	0.6
173.04440	0.6
187.06212	0.4
191.03476	1.3
191.05472	0.7
192.03821	0.7
193.03958	0.5
205.03476	2.2
211.09743	0.6
229.07181	2.2
247.08205	3.7
269.10291	100.0
269.95926	0.4
270.10617	6.4
313.09314	0.6
415.16190	28.8
416.16757	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	5.2
57.03330	6.5
58.00460	2.8
59.01251	63.1
60.01572	1.3
65.90294	1.1
67.01762	1.4
69.03327	4.0
69.70258	7.0
71.01251	100.0
71.04906	1.2
72.01604	1.2
72.99176	6.0
73.02816	38.9
74.67798	1.0
75.00748	1.6
79.05420	1.6
81.03333	1.9
83.01251	15.0
85.02821	48.5
87.00734	6.9
89.02317	26.8
93.03309	2.9
95.01269	6.2
96.95901	1.7
97.02816	6.9
97.06478	3.3
98.19819	1.1
99.00748	16.8
99.04389	2.3
101.02320	75.5
102.02660	1.5
103.03912	2.8
110.06837	1.1
111.00741	2.1
111.04359	1.4
113.02328	38.9
115.03904	4.8
119.03388	1.8
121.02891	1.5
123.04382	1.2
123.08063	2.4
125.02338	10.1
127.03899	1.2
129.01868	2.5
130.08601	2.4
131.03395	5.1
135.04390	2.0
141.05423	1.4
143.03395	6.7
145.04971	1.8
149.02336	2.3
149.04506	6.4
153.05513	1.6
159.02960	7.6
161.04465	48.6
162.04854	1.8
163.03915	1.5
163.06053	1.7
173.04468	4.7
181.05052	1.9
191.05542	11.6
193.04987	3.5
196.07320	1.7
205.03505	3.3
209.06599	2.9
211.09744	2.4
223.06029	1.6
225.66223	1.4
233.06664	4.5
240.07391	1.1
247.08163	1.8
269.10294	22.5
269.13095	1.8
270.10593	2.0
283.11850	67.4
284.12134	5.6
293.08618	2.0
355.13904	9.6
373.14825	6.7
415.16113	74.7
416.16473	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	413.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.51009	2.7
70.70527	3.4
70.70853	6.4
85.65337	2.7
161.33406	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	413.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
67.82874	1.6
70.13586	1.3
71.29675	2.5
80.82606	1.4
89.19038	1.4
96.08224	1.4
104.44035	1.2
128.49248	1.5
150.42792	1.3
341.30539	1.7
344.50821	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3056
Annotation	14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione
Peak:m/z	Relative Intensity
56.38203	0.2
59.01244	2.4
70.17236	1.3
92.24207	0.3
97.12682	0.3
98.19849	0.3
174.39621	0.3
242.03772	0.3
267.23270	0.3
292.28705	0.3
296.07568	0.3
341.30603	0.5
413.30591	100.0
414.30930	16.3
414.36575	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.3
57.03318	2.2
58.00472	4.8
59.01248	100.0
60.01580	1.2
68.99700	0.8
69.03325	4.2
71.01248	74.5
72.01594	0.6
72.99173	7.1
73.02815	10.0
75.00774	1.2
81.03325	2.6
81.48572	0.6
81.61005	0.5
83.01257	6.7
85.02817	16.3
87.00745	13.2
89.02313	80.5
90.02650	1.0
91.03880	1.5
95.01267	4.0
97.02824	8.4
98.19770	1.4
99.00753	4.4
99.04356	0.7
101.02318	61.1
102.02673	1.4
107.03342	0.5
109.02837	0.7
111.00776	0.7
113.02324	28.9
114.02675	0.6
115.03886	0.6
119.03379	23.1
123.00734	0.7
125.02322	12.5
129.01842	0.6
131.03395	4.3
141.01772	0.7
143.03392	9.5
149.04491	2.9
161.03186	0.9
161.04465	13.3
161.05804	0.7
167.03482	0.8
179.05515	23.5
180.05942	0.6
185.04471	1.6
219.05072	0.8
221.06630	5.9
235.08171	11.0
241.85069	0.5
245.06544	1.0
253.09222	16.2
254.09515	0.9
263.07635	3.6
287.07709	2.0
305.08701	3.2
323.09793	1.3
397.13739	1.0
415.14539	88.9
416.14917	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	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.1
59.01249	100.0
60.01592	1.0
62.17789	0.5
69.39419	4.5
71.01250	8.2
73.02821	2.6
83.01238	1.5
85.02824	4.2
89.02309	2.6
95.01295	0.9
99.00769	0.6
101.02319	6.1
113.02320	3.5
119.03432	0.6
161.04480	2.4
204.41370	0.5
209.15494	1.4
214.04115	0.5
234.34421	0.5
255.78676	0.5
322.37988	0.5
353.19736	1.7
371.20721	8.1
371.25024	0.6
404.21420	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.3
57.03332	0.2
59.01249	100.0
60.01574	1.0
71.01247	4.3
72.99189	0.3
73.02829	1.5
78.01196	0.2
83.01265	0.6
83.04905	0.3
85.02812	1.6
87.00771	0.3
89.02307	2.5
95.01286	0.3
97.02745	0.2
98.20712	0.4
99.00767	0.3
101.02325	3.1
108.44917	0.2
113.02350	1.9
119.03364	1.0
125.02335	0.3
135.04382	0.4
143.03369	0.4
147.11725	0.6
149.04457	0.2
161.04477	1.0
165.12720	0.2
179.03474	0.3
179.05598	0.3
189.09142	0.2
209.06177	0.3
209.08139	0.4
209.15463	0.3
211.79904	0.2
235.39194	0.2
353.19800	0.4
371.20755	1.0
413.17761	0.3
413.22095	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06521	0.3
59.01248	100.0
60.01583	1.2
60.10909	0.3
61.22829	0.3
70.46069	1.1
71.01253	3.5
73.02814	3.5
83.01267	0.9
85.02831	0.8
89.02311	1.3
96.67715	0.3
101.02313	3.5
113.02340	1.8
113.28737	0.3
119.04928	1.3
123.77924	0.4
127.00199	0.3
131.03407	0.4
134.03690	0.4
149.04489	0.3
161.04535	0.6
173.04552	0.4
173.48546	0.3
290.89673	0.3
293.06763	0.4
303.58838	0.3
413.21732	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47157	0.4
57.03334	0.7
59.01250	100.0
60.01589	1.4
64.22105	0.4
65.37872	0.4
69.03321	0.4
71.01254	13.8
71.37723	0.9
72.61183	0.4
72.99187	0.8
73.02816	9.4
75.00746	1.1
78.95783	0.6
81.03340	0.4
83.01260	2.7
85.02830	3.0
87.00758	0.9
89.02315	4.4
93.03336	0.6
95.01252	0.5
96.95904	0.9
96.96857	0.5
97.02824	0.7
99.00783	0.6
101.02322	9.0
103.03915	0.7
105.93587	0.5
109.11580	0.5
113.02326	5.6
115.30657	0.5
117.03387	0.8
119.03410	1.4
119.04916	2.3
125.02322	2.9
129.15416	0.5
131.03429	0.8
135.04405	0.7
143.03456	0.7
145.02881	1.7
149.04468	0.7
151.03958	0.6
155.03354	0.5
161.04489	1.5
163.03909	2.1
167.63760	0.5
179.03470	0.7
179.10683	0.5
191.03487	0.8
191.05493	0.9
191.10657	0.4
207.63962	0.4
209.11774	0.6
353.16394	1.0
371.17474	0.6
413.14700	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91574	0.1
55.90483	0.1
57.03321	6.5
59.01250	4.2
63.02270	0.4
65.00182	0.7
67.01763	0.2
68.99721	0.1
69.03334	0.4
71.01242	0.9
72.99180	0.1
73.02834	0.5
81.03333	1.9
83.01256	6.6
85.02834	0.3
87.00765	0.2
89.02313	0.4
93.03315	0.7
95.01281	0.2
95.04897	0.5
96.95902	0.2
97.02835	1.6
99.00753	0.2
99.04396	0.2
101.02345	0.6
105.03357	0.3
107.01270	1.1
107.04900	0.1
108.02066	0.1
109.02837	0.4
111.04335	0.2
113.02319	0.4
119.04871	0.2
121.02837	1.0
122.00318	0.1
123.00799	0.3
123.04401	2.5
123.08061	0.1
124.01572	0.5
125.02334	100.0
126.02667	3.3
135.04437	0.3
137.02344	1.0
139.03909	3.3
149.02344	11.7
150.02739	0.5
151.00256	1.6
151.03908	0.4
161.02296	0.3
161.04417	0.2
163.03941	0.3
165.05510	0.4
167.03409	11.2
168.03735	0.5
169.01340	0.5
173.02353	0.4
173.04393	0.2
175.00244	0.3
179.03403	1.9
180.03949	0.1
181.05011	0.3
191.03435	2.2
191.05507	0.7
191.07091	0.2
192.03854	0.2
207.02832	0.2
208.03305	0.2
209.04495	18.7
210.04843	1.2
221.04643	0.2
233.04507	4.4
234.04884	0.3
242.23372	0.1
251.05585	2.5
263.05563	0.4
281.06680	0.1
281.09879	0.1
311.07715	0.3
329.08783	2.2
330.09006	0.2
371.09738	0.7
413.10828	10.7
414.11087	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.6
57.03323	0.3
59.01247	100.0
60.01593	1.0
69.50578	0.9
69.51003	1.6
71.01248	6.3
72.99187	0.5
73.02826	2.4
81.57533	0.3
83.01263	0.8
85.02835	1.8
87.00728	0.4
89.02322	2.5
93.03357	1.0
95.01276	0.7
96.95861	0.5
99.00794	0.6
101.02319	3.4
103.48972	0.4
113.02324	2.7
119.03415	0.9
137.02396	0.5
161.02359	0.5
161.04500	0.6
173.04472	0.5
179.03471	0.4
191.05533	0.5
191.10667	0.3
209.11813	0.4
357.91275	0.3
381.11606	0.4
413.17392	0.5
413.21997	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	413.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01572	0.6
71.01243	2.9
73.02829	0.9
85.02827	1.0
89.02306	1.1
93.03352	0.8
101.02353	1.3
113.02351	0.7
126.20284	0.5
137.02347	1.4
140.04123	0.5
141.01662	1.1
165.86732	0.5
209.11858	0.7
223.58145	0.4
229.21358	0.8
235.90622	0.4
289.16544	0.5
353.23575	1.3
398.38184	0.5
409.51584	0.5
413.21857	1.7
413.26276	0.8
414.21387	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34039	0.9
59.01246	24.7
71.01254	9.4
71.58077	1.1
72.99155	2.3
73.02808	3.8
78.95773	10.3
79.05402	3.9
81.45349	1.2
83.01256	2.7
83.04897	1.6
85.02821	4.2
87.00738	1.7
89.02312	7.4
95.01241	1.1
97.02831	1.2
101.02309	4.6
105.03343	6.3
113.02316	4.1
117.38396	1.1
121.02826	1.3
121.06485	4.0
123.04406	15.5
125.02358	1.8
134.04614	15.3
149.02371	11.1
149.04453	8.3
161.02324	1.3
161.04433	1.5
162.02815	1.6
162.42584	1.3
163.03761	2.1
163.05898	1.3
165.05479	100.0
166.05786	4.8
167.03407	2.1
168.04057	1.3
172.03731	1.1
173.04367	3.1
176.03471	1.1
189.03862	3.0
189.05457	1.4
191.03452	6.1
191.05270	1.4
207.06635	1.5
207.94394	1.3
219.08408	1.7
223.06029	2.6
263.07446	1.5
267.99313	1.1
281.08560	4.7
342.56494	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	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22303	2.5
59.01252	100.0
71.34721	3.6
73.36581	3.0
73.80785	3.6
81.07442	2.9
89.03864	2.7
89.43279	2.9
98.32050	3.4
183.51630	3.5
251.98828	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	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51680	3.4
55.77141	4.0
59.01249	100.0
69.94846	8.9
69.95263	10.0
78.95766	3.3
98.19893	6.0
132.90779	3.7
134.82188	3.9
152.99518	4.5
162.87756	4.2
164.24095	3.7
296.67554	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82178	0.3
56.01316	0.3
59.01248	15.0
63.02240	0.8
65.00198	0.5
70.91547	0.6
71.01249	3.0
72.86470	0.3
72.99187	0.4
73.02818	2.5
81.03351	0.5
83.01263	1.6
85.02814	2.4
87.00756	0.5
89.02313	0.6
93.03339	1.2
99.30313	0.3
101.02313	2.5
103.05348	0.3
105.94518	0.3
107.01283	0.6
113.02351	0.8
118.03912	0.3
119.04932	0.5
123.04412	0.8
125.02338	3.9
135.04396	0.4
137.02365	0.5
147.04401	2.1
148.98070	0.3
149.02348	1.7
149.04407	0.3
163.03894	0.4
165.05524	0.4
167.03496	0.3
172.05040	0.3
173.04404	2.0
190.02640	2.2
191.03423	100.0
192.03758	5.1
209.04546	0.5
214.18115	0.3
233.04442	0.6
310.13852	0.3
353.08792	3.2
359.06921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80355	0.6
55.01756	0.7
57.03314	1.4
57.74512	0.6
58.00470	0.7
59.01250	100.0
60.01574	1.4
61.98726	1.5
62.61251	0.6
63.13890	0.5
69.03333	0.6
69.59119	3.2
69.59523	1.2
71.01254	18.8
72.46307	0.6
72.99170	1.0
73.02818	12.4
73.03191	1.1
83.01253	3.8
85.02826	4.4
87.00757	0.9
89.02312	6.8
93.03346	1.3
95.01270	1.1
97.02845	0.7
97.06464	0.8
98.92403	0.6
99.00781	0.9
101.02312	12.5
111.04401	0.7
113.02324	7.4
115.76782	0.6
119.03416	2.7
123.04410	0.8
125.02389	0.7
131.03415	1.6
134.03636	1.9
135.04425	1.3
137.09634	2.8
143.03416	1.2
149.04439	0.9
151.26082	0.6
155.03494	0.9
161.02423	1.0
161.04489	1.9
173.04488	2.7
173.05884	0.8
177.01845	0.8
179.03412	1.6
179.05588	0.9
191.05617	2.8
207.02916	1.0
221.04546	1.8
291.08734	0.8
411.16382	0.8
411.21048	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27354	1.0
57.03333	1.0
59.01248	9.5
69.03300	1.3
71.01257	1.8
71.04920	1.2
83.04897	1.0
84.02060	1.3
85.02832	1.1
93.97847	1.1
97.06535	1.1
98.20556	2.3
99.08035	2.6
117.39706	1.0
119.32123	1.0
121.97285	1.0
125.09631	2.0
127.07487	1.2
127.11195	2.4
129.38831	1.0
137.09608	1.0
139.11189	3.6
163.11151	2.5
165.12762	18.2
171.10167	10.0
180.04227	1.0
183.13832	4.1
193.08391	18.0
193.12059	1.3
205.12085	2.8
207.10019	1.6
209.08011	1.4
211.13326	20.0
219.10008	3.1
221.11571	8.4
229.14380	12.8
229.27283	1.3
230.14792	1.1
231.10056	7.7
233.11548	100.0
234.11884	5.9
249.11252	13.7
251.11417	23.8
251.12503	19.0
252.11641	3.5
302.36621	1.1
329.23300	44.5
330.23709	4.2
351.21490	76.9
352.21893	7.3
395.20102	1.3
411.22870	6.0
412.22473	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1655
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
54.58748	1.4
55.01740	1.3
57.03316	2.3
57.64449	1.5
58.00458	3.0
59.01250	72.0
60.01572	2.2
69.03321	2.7
70.92507	3.7
71.01249	39.8
72.99166	5.2
73.02824	3.5
73.05732	1.3
74.67518	1.5
75.00728	1.6
79.90462	1.4
83.01245	3.7
85.02839	8.0
87.00750	2.6
89.02313	31.5
90.02608	1.6
93.03333	3.5
95.01250	3.8
97.02785	1.9
97.40867	1.3
98.02335	1.9
101.02314	20.5
109.02794	2.1
113.02325	12.0
119.03370	12.4
119.04884	7.3
131.03331	2.1
135.04382	4.4
147.04445	1.9
149.04468	6.5
151.03870	2.1
157.05066	1.4
159.04405	4.8
161.02315	2.7
163.03883	11.7
165.05453	1.3
172.03857	2.7
172.05188	1.8
173.04468	3.7
173.05980	5.9
179.03369	1.5
179.05646	1.5
187.03957	4.9
187.07549	28.6
187.11127	2.7
188.03476	4.3
188.08026	1.6
189.04152	2.3
191.05583	5.8
201.05475	6.4
202.06288	44.5
203.06491	1.2
205.12234	3.3
206.02150	3.3
207.02910	41.6
208.03200	2.5
213.09102	2.1
216.07849	3.7
218.08096	3.8
222.73863	1.7
231.10222	54.2
232.10503	1.7
235.06044	1.7
249.11366	8.1
280.08234	6.3
411.09653	3.6
411.16571	100.0
412.16998	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	411.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51457	0.9
56.88922	0.7
57.03331	0.9
59.01249	100.0
60.01595	0.9
71.01243	6.5
71.58360	1.1
73.02832	1.4
83.01277	1.1
85.02835	1.5
87.00752	0.9
89.02309	4.2
96.95903	1.0
99.82809	0.9
101.02325	3.6
113.02374	1.9
119.03384	1.1
134.03615	1.9
158.88246	0.8
173.04483	1.1
179.05493	1.3
191.05504	1.5
203.05177	1.0
207.10213	1.7
207.13750	1.7
211.13326	5.4
275.10764	0.8
285.17090	4.6
394.17282	0.9
411.20169	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.5
71.01257	0.7
71.58261	0.2
73.02826	0.6
81.03333	0.4
83.01268	0.5
85.02791	0.2
87.00734	0.2
89.02279	0.2
90.57368	0.1
91.05424	0.2
93.03345	0.6
95.01279	0.4
101.02328	0.5
107.04908	1.8
109.02829	0.6
109.99972	0.3
111.00755	0.2
113.02322	0.3
117.03345	0.7
119.04942	0.7
121.02824	0.5
121.81973	0.2
122.03545	0.2
122.17393	0.1
123.00780	0.4
123.04416	0.2
133.02847	0.7
135.04413	1.7
136.04678	0.2
136.98662	0.4
137.02335	0.7
138.03140	0.3
139.00323	0.2
139.03923	0.2
145.02843	2.8
150.03036	0.3
151.03900	0.6
161.02351	1.8
162.02744	0.2
163.00288	0.3
163.03937	1.2
164.01048	0.3
173.04562	0.4
177.01901	0.9
178.02661	0.2
179.03453	1.3
189.01833	2.0
190.02371	0.2
190.99762	0.4
191.03561	0.2
191.05518	0.6
192.00552	1.2
205.01321	1.5
206.02139	10.9
207.02913	100.0
208.03247	5.0
227.56531	0.2
231.02892	0.3
231.10039	0.2
249.03937	0.4
249.11340	0.9
291.08752	0.3
351.07230	1.7
369.08032	0.7
369.12015	0.2
411.09195	18.8
412.09579	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73088	1.3
57.02121	1.2
58.99356	1.1
59.01254	17.6
68.69730	1.1
70.59335	3.7
71.01252	6.9
72.99166	1.8
73.02798	3.8
81.03280	1.4
83.01250	2.8
83.34974	1.2
85.02811	3.7
87.00728	5.8
89.02329	3.0
91.22878	1.2
93.03342	3.4
93.49712	1.2
97.02871	1.3
98.20464	1.6
98.93707	1.2
101.02304	3.7
107.01281	1.7
113.02334	2.0
115.81658	1.4
117.03320	2.7
119.04892	2.3
121.02870	1.4
125.02330	13.7
133.02847	2.9
135.04404	4.9
137.02298	1.5
139.03891	1.8
151.00229	2.6
161.02309	6.4
163.03931	4.4
173.04475	4.4
177.01842	12.1
178.02089	1.6
179.03348	2.4
189.01903	7.1
190.02646	6.1
191.03410	18.2
191.05499	15.7
192.00565	4.2
192.03743	1.3
192.06000	1.7
193.04854	1.8
205.01382	17.0
206.02126	62.4
207.02919	100.0
208.03271	3.9
219.02977	2.5
238.07259	2.0
327.91870	1.6
351.07291	7.6
351.10767	1.4
369.08179	13.3
396.25040	1.4
411.09274	85.2
412.09314	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	410.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44139	0.5
65.99702	1.5
67.01754	2.6
69.03315	0.9
69.69259	1.0
69.69672	2.4
71.01240	1.0
72.99176	37.6
81.03329	1.3
83.04905	0.9
85.02814	8.5
87.00744	4.9
90.38363	0.5
93.03333	17.9
94.03658	0.7
98.02364	1.1
98.19772	0.7
105.03332	0.7
109.02819	2.2
111.04408	4.0
120.04437	0.7
121.02845	3.1
123.04417	1.2
127.03891	2.2
129.01749	0.7
133.02827	2.4
134.03618	0.7
135.04407	16.2
136.04726	0.7
137.02324	3.9
146.02386	0.7
146.06018	0.7
147.00681	0.6
147.03162	2.8
147.04413	5.8
150.05490	1.6
151.03932	1.5
155.03439	1.3
162.05516	10.3
165.05487	3.3
171.02940	1.2
173.02298	1.6
173.04462	16.4
174.01965	2.7
174.05530	5.8
175.03946	1.4
176.03413	4.6
177.01889	1.1
191.05531	100.0
192.02956	0.9
192.06035	2.7
200.03455	4.0
215.05499	0.8
218.01024	4.7
218.04527	13.2
219.02954	3.5
219.04848	1.0
229.79904	0.6
234.50487	0.6
236.05591	36.4
237.05919	1.6
247.04585	2.0
272.07791	2.5
303.73679	0.7
355.33038	0.6
392.09732	3.3
410.10944	26.6
411.10822	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	409.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09917	0.3
55.77543	0.2
59.01247	0.6
69.08649	0.2
71.22145	0.5
78.95763	1.7
105.60172	0.2
136.46977	0.3
152.99478	1.6
164.86302	0.3
171.00655	0.2
177.12773	0.4
183.13824	16.7
184.14172	0.9
195.13829	24.1
196.14139	1.3
211.13364	0.7
213.14894	100.0
214.15228	5.9
241.21678	0.4
409.29544	8.6
410.29889	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	410.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33333	1.6
54.69916	1.4
59.01246	11.0
65.99725	1.9
69.74876	6.4
69.75278	4.7
70.58347	1.8
71.01250	6.1
72.99181	21.5
73.02849	2.4
74.52057	1.8
75.98730	2.0
80.28469	1.6
85.02802	9.2
87.00755	4.9
89.02333	2.4
93.03346	16.4
93.33799	1.6
98.19757	2.6
101.02308	4.5
109.02876	2.4
111.04421	3.7
121.02857	2.1
133.02895	2.2
135.04427	13.2
137.02377	3.4
147.04428	4.9
151.03952	2.2
161.04457	3.3
162.05510	4.7
165.05463	5.4
173.02303	3.3
173.04485	17.2
174.05504	6.9
176.03424	4.2
191.05530	100.0
192.06052	3.6
200.03493	9.1
218.00890	4.9
218.04556	13.0
219.02922	3.0
219.54068	1.7
236.05585	33.8
247.04529	2.3
247.71997	1.9
249.13321	2.5
272.07736	4.0
329.71762	1.8
350.18842	1.8
351.20706	2.1
392.09924	4.7
410.10922	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	410.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.7
65.99710	5.1
67.01756	5.2
69.65190	10.3
70.72588	2.0
71.01260	5.9
72.99171	46.3
80.15125	1.9
84.71712	2.1
85.02830	5.8
85.39938	2.0
93.03330	27.6
98.02355	2.5
99.36316	2.1
100.78215	2.0
101.02380	2.4
109.02801	3.6
121.02837	3.5
123.04436	4.0
133.02849	5.1
135.04425	21.9
137.02385	6.9
147.03339	3.7
147.04449	12.8
148.03969	7.3
149.02336	2.5
149.05971	5.5
150.05518	17.1
151.03937	3.5
155.03439	5.6
162.05513	9.8
165.05511	7.9
173.04468	100.0
174.01933	2.7
174.05629	20.3
191.05540	51.7
192.02972	14.4
192.06557	21.5
200.03561	2.1
204.94308	2.2
218.00931	4.8
218.04507	16.1
219.03018	5.6
230.06342	2.6
236.01875	6.5
236.05592	70.0
237.03761	2.7
237.06078	3.1
240.85509	1.9
256.40512	2.0
272.07825	2.4
410.11029	8.2
411.08862	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	409.236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08205	0.2
53.17928	0.2
53.75982	0.2
63.72577	0.2
68.77121	0.2
69.56738	1.7
78.95776	70.8
94.07113	0.3
96.96836	5.7
101.94376	0.2
103.66028	0.2
147.42206	0.2
149.72363	0.3
150.97903	1.5
152.99487	100.0
153.99843	2.1
165.65154	0.2
167.83650	0.2
171.00560	2.6
231.01180	0.2
255.23344	2.3
409.23608	13.8
410.23740	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	409.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96283	0.2
70.11246	1.1
78.95775	56.6
78.99985	0.2
96.96838	5.2
110.63570	0.2
150.97881	1.6
152.99486	100.0
153.99834	1.5
171.00537	3.1
184.08597	0.2
231.49612	0.2
233.91203	0.3
236.06558	0.2
241.21750	0.7
255.23276	1.7
409.23584	9.7
410.23883	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2359
Annotation	1-Palmitoylglycerol 3-phosphate
Peak:m/z	Relative Intensity
51.35899	0.3
68.32666	0.2
69.59729	1.8
78.95774	68.8
96.96838	5.7
96.97476	0.3
150.97899	2.0
152.99487	100.0
153.99825	1.8
165.24133	0.3
171.00565	2.4
255.23227	2.7
409.23584	12.8
410.24030	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14558	1.3
51.24631	1.4
57.03308	1.4
59.01251	100.0
60.01579	1.6
69.87702	7.1
70.50691	1.8
71.01254	23.0
72.99178	2.3
73.02829	2.4
85.02837	5.8
87.00761	2.6
89.02311	30.6
93.03349	1.9
101.02308	17.4
109.02810	2.1
113.02331	11.4
115.54700	1.4
119.03392	13.2
125.02325	4.0
135.04332	1.8
136.79164	1.3
137.02328	2.8
143.03426	2.3
161.04443	7.8
161.08093	2.6
164.03462	3.0
173.04494	4.0
179.03371	1.9
179.05573	8.6
187.13243	2.2
191.05525	9.5
248.05673	1.8
305.10779	1.5
317.40576	1.4
349.18585	19.6
409.11426	3.1
409.20831	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	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.5
59.01250	100.0
60.01591	1.0
61.98713	1.7
69.26266	2.8
69.26670	0.8
71.01259	7.2
72.99184	0.4
73.02824	3.3
78.95783	0.5
83.01268	2.1
85.02828	4.3
87.00778	0.7
89.02322	1.8
93.03352	1.0
95.01278	0.6
96.35617	0.3
97.06467	0.4
99.00764	1.2
101.02327	7.1
102.02677	0.4
102.04156	0.4
109.02862	0.3
111.35958	0.4
113.02321	3.1
119.03437	0.6
125.02348	0.3
135.04431	0.8
143.03400	0.6
145.12320	0.4
152.99480	0.5
155.03384	0.4
159.02994	0.6
161.02382	0.4
161.04456	4.4
173.04453	1.9
173.43669	0.3
179.03461	0.7
191.05534	3.6
208.47765	0.3
229.08722	0.5
229.11948	0.4
247.13049	0.6
263.14990	9.2
263.17755	0.5
264.15396	0.8
289.16663	1.2
307.17572	6.0
307.48672	0.4
308.18002	0.5
349.12180	0.4
349.18607	2.9
350.18991	0.5
409.20749	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	407.2201
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
69.64798	0.3
73.17590	0.3
78.95773	100.0
96.96837	8.4
99.92261	0.3
114.59558	0.3
114.90792	0.3
142.76077	0.3
150.97939	1.5
152.99484	81.0
153.99844	1.2
171.00552	58.4
172.00912	1.4
264.76123	0.3
407.21957	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	407.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01599	1.3
71.57644	2.1
78.95775	3.3
96.95881	5.6
110.18771	1.2
141.11575	1.2
142.83348	1.8
146.45116	1.2
149.02353	1.3
152.91624	2.4
194.92683	4.3
212.93715	1.5
232.97359	2.2
347.04791	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	409.075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	55.7
69.39774	23.9
69.40198	29.7
71.01245	72.0
72.00761	13.1
72.99177	23.7
73.02817	9.9
75.00717	30.0
78.95763	19.6
83.01261	11.6
85.02814	21.0
87.00755	63.5
88.47452	7.9
89.02311	93.8
96.95866	6.8
96.96821	15.3
98.02331	11.5
98.20561	10.4
99.00732	19.9
101.02309	70.0
110.98425	6.1
113.02322	42.5
115.00266	16.4
115.95116	5.7
116.06116	5.6
117.01840	8.5
119.03391	24.7
121.00106	6.1
122.08711	6.4
123.00780	5.5
128.03481	12.0
129.01808	12.4
131.03371	18.9
141.01833	25.7
143.03362	7.2
143.04439	7.8
144.02893	18.4
145.01306	15.9
145.55858	6.2
149.04466	92.1
149.30377	5.4
159.02905	13.6
161.04401	10.2
161.05602	10.9
175.04178	5.7
177.03705	7.0
179.05547	50.8
191.05563	7.9
233.04675	14.2
259.09326	32.5
261.65744	6.0
321.08209	25.7
338.96335	6.4
339.09216	19.4
371.11935	100.0
372.12265	6.0
373.12335	12.2
375.07077	11.7
409.08499	70.3
410.09680	11.2
428.23257	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01199	12.3
57.63575	11.7
59.01244	33.8
65.23163	10.5
67.20622	10.2
69.21636	9.8
69.98676	26.3
69.99068	25.0
71.01263	39.9
72.34531	13.1
72.47483	11.0
72.99177	17.9
75.84766	10.8
77.57000	12.2
80.92451	11.5
83.01295	11.9
85.02802	14.7
89.02324	43.6
96.04375	10.8
96.96826	25.6
98.19850	12.1
110.98368	11.3
120.53565	10.8
131.03377	15.6
135.04399	11.4
144.02937	14.3
149.04491	100.0
153.23672	13.0
173.04491	13.4
178.91614	12.4
259.09314	44.0
293.08621	16.8
341.11288	14.1
391.17377	13.6
410.10135	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	407.1521
Annotation	Devazepide
Peak:m/z	Relative Intensity
59.01250	20.1
70.15897	5.1
71.01252	1.7
73.52268	0.9
75.00748	2.0
78.95775	2.1
81.03326	2.0
87.92407	1.1
95.04871	2.7
103.91899	7.1
104.92670	3.1
106.94170	1.0
113.05943	2.8
116.27258	0.9
120.47307	1.0
121.10110	5.1
123.94477	1.5
130.94250	1.3
141.08084	1.8
141.09105	27.2
146.93724	5.4
148.95302	1.1
149.09587	1.4
171.10121	1.1
195.01027	1.2
206.59917	1.1
213.05806	1.6
253.05290	1.4
255.06828	2.3
257.04770	10.3
265.05243	1.5
275.20178	1.2
279.06915	5.4
281.01331	1.5
281.04703	2.0
285.04321	2.7
286.05054	12.5
287.05719	3.0
299.05884	1.1
335.18082	1.1
340.06140	2.5
345.11615	1.0
347.12991	1.5
352.00955	1.0
356.75848	1.0
363.16190	7.0
405.30096	2.3
407.15265	100.0
407.31628	45.2
408.15619	14.2
408.31793	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	407.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25930	0.5
57.03308	1.3
58.00455	0.8
59.01250	100.0
60.01592	1.2
69.03334	1.2
71.01252	28.2
71.58201	0.8
72.99194	1.4
73.02818	22.8
74.03168	0.5
76.82829	0.6
81.03337	0.7
83.01255	7.0
84.31979	0.5
85.02812	5.0
86.40774	0.5
87.00764	2.6
87.04396	0.7
89.02314	16.2
95.01267	1.1
97.02872	0.9
97.06476	2.2
99.00777	1.2
99.04404	0.9
101.02325	27.2
102.02641	0.8
102.32820	0.5
113.02321	14.3
119.03398	7.9
125.02355	1.4
131.03397	2.5
143.03433	3.3
149.04480	3.1
155.03368	0.6
161.04459	10.5
161.05836	0.7
166.52649	0.5
167.10725	0.5
171.10271	0.6
179.05537	4.5
181.09885	0.5
185.11876	1.1
191.05585	1.2
203.05559	0.8
203.12831	11.4
204.13153	0.6
218.13564	0.5
221.06688	1.4
223.92711	0.5
227.12976	0.8
347.17072	17.3
348.17606	1.8
365.18121	13.8
366.18588	1.5
389.26108	0.5
407.19391	6.4
407.26599	1.5
408.19736	0.9
419.31430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01595	0.7
63.78794	0.3
71.01254	2.8
71.92968	0.4
73.02831	1.4
78.20988	0.4
83.01273	0.5
85.02830	1.0
89.02337	1.0
99.00764	0.5
101.02347	1.4
105.07442	0.4
113.02358	1.1
117.03329	0.3
135.04396	0.5
141.01549	0.3
144.02950	1.5
157.58406	0.3
161.04451	0.8
171.10088	0.4
173.04514	0.6
176.11020	0.3
191.05562	1.0
225.75665	0.3
227.10396	2.4
229.75887	0.3
245.11411	3.1
245.13774	0.5
247.79698	0.4
275.18710	0.5
304.84628	0.3
305.16174	0.9
333.76080	0.4
347.17435	0.4
347.37643	0.3
382.68875	0.3
407.18979	0.5
407.26633	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99968	0.8
59.01249	100.0
71.01235	0.9
89.24054	0.8
97.41317	0.9
98.19759	1.8
112.53349	0.9
172.45494	0.9
229.41367	1.1
271.23279	0.9
282.91650	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	19.7
65.96653	0.6
71.01250	20.0
71.58356	1.0
72.65635	0.6
72.99175	1.8
73.60812	0.6
77.63438	0.6
78.95778	2.9
87.92409	1.5
90.94755	0.7
96.15634	0.6
102.94756	1.6
103.91902	35.6
104.05763	0.7
104.92671	6.4
106.63866	0.6
106.94253	3.4
107.08994	0.7
113.84088	0.6
121.07989	0.6
123.94540	1.7
130.89616	1.2
130.94255	10.2
130.97897	9.5
132.95827	16.6
137.09549	1.3
142.97887	2.3
146.93762	6.5
148.94141	1.5
148.95334	27.9
152.99471	1.3
153.54643	0.7
165.95619	1.3
174.96913	1.1
184.95323	1.4
186.96910	100.0
187.07552	0.7
187.97115	2.9
190.09920	7.0
191.10320	0.8
205.12311	3.0
217.95128	1.0
220.14616	11.7
221.15164	2.9
232.97406	0.9
236.10678	1.3
269.07056	1.9
278.03442	1.4
335.03494	1.0
350.04547	9.5
353.10556	5.0
354.10568	0.8
389.16101	1.0
407.11942	12.8
408.12115	1.4
412.46872	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17799	3.5
59.00953	4.3
59.01249	78.4
71.01268	4.2
71.57993	4.6
75.46126	2.9
78.95770	7.3
79.95638	3.2
82.42010	3.7
85.02782	3.3
96.33684	3.3
96.95935	3.5
101.02299	3.8
114.91599	3.5
132.98044	7.6
149.06003	26.9
152.99539	5.5
162.28276	3.3
174.99170	20.9
209.08147	100.0
210.08574	7.5
214.15712	3.2
281.55859	3.9
297.10138	10.1
299.11911	17.2
325.09644	85.2
326.09937	5.5
407.18466	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	405.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.6
59.00991	0.5
59.01252	4.2
68.74461	0.6
69.03297	0.6
70.39385	0.5
70.87525	1.4
71.01243	0.7
73.54485	0.5
78.95773	1.5
83.04904	0.5
97.06470	0.8
100.81487	0.5
114.03123	0.5
137.09612	0.6
152.99474	1.8
171.00482	1.4
211.13338	0.9
213.14893	1.5
239.16481	2.3
241.18021	1.5
247.13353	0.9
265.18149	0.7
293.21115	0.6
315.26923	1.7
325.25250	3.5
333.28006	1.4
341.24689	0.7
343.26233	3.2
344.26846	0.6
359.25787	2.2
360.26053	0.7
361.27484	2.9
369.24197	4.1
377.26971	1.2
387.25394	11.2
388.25809	1.2
389.87079	0.6
405.26416	100.0
406.26721	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	405.2642
Annotation	3-Oxocholic acid
Peak:m/z	Relative Intensity
57.03314	0.6
59.00991	0.5
59.01252	4.2
68.74461	0.6
69.03297	0.6
70.39385	0.5
70.87525	1.4
71.01243	0.7
73.54485	0.5
78.95773	1.5
83.04904	0.5
97.06470	0.8
100.81487	0.5
114.03123	0.5
137.09612	0.6
152.99474	1.8
171.00482	1.4
211.13338	0.9
213.14893	1.5
239.16481	2.3
241.18021	1.5
247.13353	0.9
265.18149	0.7
293.21115	0.6
315.26923	1.7
325.25250	3.5
333.28006	1.4
341.24689	0.7
343.26233	3.2
344.26846	0.6
359.25787	2.2
360.26053	0.7
361.27484	2.9
369.24197	4.1
377.26971	1.2
387.25394	11.2
388.25809	1.2
389.87079	0.6
405.26416	100.0
406.26721	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	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.0
55.37114	0.5
57.03327	2.0
58.00470	1.2
59.01250	100.0
60.01574	1.2
62.39328	0.5
68.70198	0.6
69.03338	1.8
71.01252	22.6
71.04886	1.4
72.01569	0.6
72.99189	1.8
73.02816	15.0
75.00750	2.1
77.60610	0.6
81.03349	1.0
83.01266	5.7
83.04912	1.8
85.02834	6.6
87.00763	6.9
87.04401	1.1
89.02311	11.4
95.01279	2.0
95.04893	0.7
97.02850	0.6
97.06487	0.8
99.00766	1.5
99.04391	10.2
101.02325	19.7
101.05975	1.2
102.02656	0.5
109.06472	3.7
111.00780	3.8
113.02326	9.5
113.05997	0.9
119.03385	4.8
123.08070	0.9
125.06004	0.9
127.07571	0.8
129.01820	0.9
135.08084	1.8
137.05896	0.6
141.01883	1.2
141.09146	2.3
143.03439	2.3
149.04549	0.8
153.09132	11.9
155.03398	0.7
155.10672	0.8
161.04495	5.0
167.10716	0.8
171.10182	7.0
179.05533	2.2
183.10248	2.0
201.11258	4.6
203.05577	0.7
203.12912	2.4
225.11269	0.9
243.12294	0.8
247.02287	0.5
258.77310	0.6
273.13614	0.8
273.16803	0.9
315.14389	1.6
327.14587	2.2
327.21756	1.0
345.15546	15.6
345.22540	3.6
346.15948	1.7
351.04688	0.5
363.16605	18.5
364.16840	1.2
387.12311	0.6
387.16333	2.7
405.17395	6.0
405.24841	8.4
406.18024	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	8.3
59.01245	35.0
68.04926	3.2
69.70477	11.3
70.02833	4.5
71.01264	10.2
72.00777	24.0
72.99175	6.5
73.02812	9.7
80.04932	1.8
82.02850	7.8
82.06496	2.9
83.01289	2.8
85.02807	4.0
87.00761	2.8
89.02309	3.6
93.03314	3.6
96.04438	1.7
98.02344	7.3
98.06010	3.0
99.00748	9.9
99.04390	6.7
100.03902	11.2
101.02337	5.1
107.03645	4.3
108.04467	2.4
108.08041	1.6
113.02343	4.7
116.03402	2.0
119.03419	2.1
121.02816	1.8
132.24918	1.7
136.07637	2.0
137.02371	3.0
137.07071	2.6
138.05507	1.9
144.02921	96.7
146.06001	2.1
147.04349	2.0
149.06001	4.4
150.03026	2.1
150.05515	12.7
151.08647	2.2
152.07057	4.8
153.01781	4.3
156.10577	1.9
163.08693	2.7
164.07108	8.2
165.04211	2.0
165.05495	3.0
166.02536	2.0
167.08154	2.4
171.45068	1.7
173.04442	2.8
181.09705	4.4
189.20222	1.6
191.05531	3.8
195.07692	19.0
199.13435	3.4
209.08134	8.6
213.08765	12.1
225.08754	91.4
226.09027	4.0
231.06570	3.1
243.09821	100.0
244.10208	5.9
247.46059	1.7
261.13287	2.6
363.23730	1.9
373.09311	3.7
375.14420	2.8
405.17361	9.9
405.24844	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	405.213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33041	0.5
59.01247	100.0
60.01576	1.2
71.01256	1.9
71.20633	0.7
72.99188	0.7
93.03336	1.1
96.95905	1.0
101.02363	0.8
150.03120	1.6
153.07103	0.6
165.05482	0.5
177.05421	0.7
197.06029	1.7
202.12039	0.8
227.07124	2.1
239.07100	4.2
243.09911	0.7
243.19756	0.9
266.05756	0.9
267.06604	4.8
359.09277	1.3
360.09879	1.0
375.12360	4.7
376.12872	1.0
387.12231	0.8
405.13412	5.5
405.25131	2.6
419.56830	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	54.5
63.01831	6.3
71.58006	7.7
71.91396	6.3
75.00732	8.7
77.29054	6.6
78.95777	57.0
96.96856	7.8
152.99487	100.0
154.35349	7.2
170.80698	7.3
185.47264	7.2
399.40521	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	405.1341
Annotation	Asperlicin C
Peak:m/z	Relative Intensity
59.01246	18.4
61.98694	1.3
65.75720	0.7
66.64912	0.6
70.55375	2.0
71.01239	4.6
73.02811	2.7
83.01215	0.7
85.02831	1.9
87.00729	0.9
93.03342	9.8
97.99625	0.8
101.02293	3.9
107.04936	0.8
107.38477	0.6
108.02046	4.4
109.02822	2.7
113.02333	1.1
117.03345	2.5
119.04940	1.6
121.02860	3.8
123.04401	2.6
133.02850	1.6
134.03606	1.7
135.04350	1.7
137.02298	1.3
143.04935	4.2
145.02837	8.0
146.03604	1.8
147.04417	1.0
149.02342	7.9
150.03122	24.2
151.03648	0.9
153.06996	1.3
156.05669	0.9
159.04408	1.5
161.02374	1.1
161.04460	1.1
162.03113	10.1
163.03894	2.3
164.04669	0.8
165.05504	4.1
165.06839	0.8
167.04874	0.8
169.06570	3.7
171.08018	2.3
175.03885	1.6
177.05499	14.3
180.16830	0.8
183.04393	0.9
183.08049	2.1
183.13719	1.2
185.05951	5.4
193.06540	2.2
195.08099	1.8
196.05223	1.7
197.04182	1.1
197.05998	21.5
198.06393	1.5
199.03909	0.8
208.05032	0.9
209.06029	5.9
210.06804	0.9
211.03860	1.4
211.07588	4.9
212.04675	1.0
213.05501	1.9
221.06053	1.5
222.06725	0.8
223.07579	1.3
224.04793	2.6
225.05550	6.4
226.06195	1.8
227.07074	25.8
228.07426	1.3
237.05518	13.7
238.06256	7.1
239.03368	1.8
239.07094	47.8
240.04193	2.1
240.07506	4.7
241.04947	1.3
241.08679	2.8
249.05489	1.4
250.06313	2.8
251.07121	7.8
252.07684	1.6
253.05042	4.2
253.08667	7.0
254.05840	4.0
255.06596	1.6
263.07172	1.5
265.05023	2.1
266.05826	5.9
267.06604	46.1
268.06979	3.6
277.08771	0.8
279.06732	1.3
281.08136	5.9
282.05164	1.1
283.06247	1.2
289.08685	1.3
290.09552	1.2
301.08701	2.5
303.07037	0.9
303.10294	1.1
315.10196	1.6
317.08243	1.9
318.08795	1.2
329.08197	1.8
343.09521	1.7
344.06720	0.8
345.07690	4.9
345.19009	1.1
346.08319	2.9
347.08948	1.0
357.07346	1.5
359.09296	10.9
360.09949	11.7
361.10773	17.3
362.11026	2.0
363.20203	2.0
371.09256	3.2
372.09933	3.9
375.12341	41.4
376.12689	5.5
387.12283	6.4
389.09946	1.2
390.11307	4.6
390.15686	0.9
405.13403	100.0
405.21756	3.2
406.13727	12.5
413.01141	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	46.1
59.53989	4.2
71.50089	11.5
78.95782	53.6
132.26608	5.1
152.99493	100.0
267.61484	5.5
372.68823	5.7
405.15533	5.7
405.20807	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	405.1341
Annotation	Asperlicin C
Peak:m/z	Relative Intensity
59.01249	20.6
61.55251	0.5
71.01262	1.1
71.58272	0.7
71.58649	0.8
73.02847	0.5
82.81678	0.4
84.13240	0.5
85.02843	0.5
87.00749	0.6
93.03331	1.6
101.02321	0.6
105.84291	0.5
107.04907	0.9
108.02066	1.8
109.02815	0.6
121.02848	1.7
122.89426	0.7
123.04440	2.6
123.05188	0.5
131.04883	0.5
133.06465	0.5
137.02290	0.6
143.04941	0.6
145.02873	1.3
145.06467	0.6
148.90875	0.8
150.03090	2.8
157.05347	0.4
157.06490	12.3
159.04419	0.8
162.03096	0.7
165.05457	1.0
171.08083	0.9
173.09587	2.7
179.03470	0.8
180.05727	1.8
181.06487	1.5
183.04381	0.5
184.05190	1.2
185.06035	1.0
186.81039	0.6
194.07401	0.7
195.08092	3.1
196.08781	0.7
197.06038	3.5
197.09633	3.1
198.06734	0.5
199.07576	13.0
200.07895	1.2
201.09102	0.7
209.06123	0.5
211.07463	0.9
212.08247	0.6
224.04636	0.8
225.05515	1.9
227.07147	1.4
237.05647	0.6
238.06425	0.7
239.07092	26.2
240.07774	7.8
241.08669	44.6
242.09003	3.2
249.61993	0.5
251.07205	1.3
252.07219	0.6
253.08653	1.5
255.10262	1.0
267.06693	1.7
268.07346	2.0
269.08176	100.0
270.08530	7.8
272.06888	9.0
273.07019	0.9
281.08060	2.5
315.10361	1.2
316.10645	0.9
330.23782	0.6
343.09619	0.9
344.10464	0.8
355.09814	0.8
356.10547	0.6
359.09143	2.6
360.10016	4.6
361.10556	0.8
371.09134	1.7
372.09979	7.5
373.10339	0.6
375.08221	0.7
375.12405	8.5
376.12634	1.0
377.13931	6.8
378.14359	0.6
387.12347	6.4
388.12555	0.6
405.08377	1.2
405.13391	31.6
406.08661	0.8
406.13620	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	405.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49525	3.1
59.01249	44.7
67.80209	2.9
70.92210	3.2
71.01247	20.4
71.58121	4.7
72.99181	13.0
73.02812	18.7
81.03312	8.0
87.00751	8.3
89.02322	44.4
91.01769	4.7
93.03315	11.5
95.01253	8.4
101.02308	10.1
108.02059	7.6
109.02811	5.8
113.02301	4.9
119.01297	7.7
121.02837	14.5
122.99485	3.3
123.00755	12.8
123.04384	6.9
124.01482	5.6
125.02309	9.0
131.03435	12.0
135.00749	4.4
135.04422	6.4
136.01544	9.5
137.02328	9.2
138.03108	6.8
139.03873	11.2
143.99631	3.4
147.00737	5.5
149.02457	18.8
149.04456	100.0
150.03157	5.0
151.00331	5.6
151.03882	17.6
152.01054	4.7
153.01814	18.9
153.05479	10.8
154.02554	4.3
163.00238	13.1
163.03920	5.3
164.01016	13.5
164.04721	10.8
165.01823	11.2
165.05457	5.1
166.02563	7.5
166.06149	3.9
166.99834	4.0
167.03421	16.2
168.80617	3.6
178.02617	14.1
179.03409	19.2
179.06956	3.3
181.01390	8.4
181.04892	5.9
183.06564	10.6
183.10136	5.8
190.99782	4.2
191.05472	3.8
193.04977	15.0
194.02100	4.3
194.73578	3.3
196.03664	11.2
208.03671	4.1
211.06062	9.5
212.18262	3.4
222.05183	4.0
223.06059	30.6
243.12357	3.7
268.23877	3.2
351.15488	3.9
355.10403	8.4
357.13489	4.2
376.28030	3.6
405.17477	8.5
405.25134	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	405.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49525	3.1
59.01249	44.7
67.80209	2.9
70.92210	3.2
71.01247	20.4
71.58121	4.7
72.99181	13.0
73.02812	18.7
81.03312	8.0
87.00751	8.3
89.02322	44.4
91.01769	4.7
93.03315	11.5
95.01253	8.4
101.02308	10.1
108.02059	7.6
109.02811	5.8
113.02301	4.9
119.01297	7.7
121.02837	14.5
122.99485	3.3
123.00755	12.8
123.04384	6.9
124.01482	5.6
125.02309	9.0
131.03435	12.0
135.00749	4.4
135.04422	6.4
136.01544	9.5
137.02328	9.2
138.03108	6.8
139.03873	11.2
143.99631	3.4
147.00737	5.5
149.02457	18.8
149.04456	100.0
150.03157	5.0
151.00331	5.6
151.03882	17.6
152.01054	4.7
153.01814	18.9
153.05479	10.8
154.02554	4.3
163.00238	13.1
163.03920	5.3
164.01016	13.5
164.04721	10.8
165.01823	11.2
165.05457	5.1
166.02563	7.5
166.06149	3.9
166.99834	4.0
167.03421	16.2
168.80617	3.6
178.02617	14.1
179.03409	19.2
179.06956	3.3
181.01390	8.4
181.04892	5.9
183.06564	10.6
183.10136	5.8
190.99782	4.2
191.05472	3.8
193.04977	15.0
194.02100	4.3
194.73578	3.3
196.03664	11.2
208.03671	4.1
211.06062	9.5
212.18262	3.4
222.05183	4.0
223.06059	30.6
243.12357	3.7
268.23877	3.2
351.15488	3.9
355.10403	8.4
357.13489	4.2
376.28030	3.6
405.17477	8.5
405.25134	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	404.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65662	1.7
58.02843	14.7
59.01249	10.0
71.01260	5.6
71.06158	2.3
72.00797	2.1
72.99158	2.3
74.02347	31.7
82.02860	3.9
85.02837	3.6
86.02355	8.1
86.06009	1.8
86.98963	3.2
87.05522	7.0
89.02313	2.3
90.00063	3.6
93.03345	3.8
94.03650	2.5
96.95888	2.3
97.03979	3.3
99.05514	26.6
101.02315	2.4
101.07076	3.6
102.05504	2.1
109.03978	3.7
110.05051	1.9
112.03913	2.3
116.01634	2.3
123.05543	4.3
127.05029	6.0
128.03423	71.6
129.03755	2.4
135.05537	6.5
137.02357	3.6
137.07040	2.5
141.06593	7.5
143.04524	100.0
145.06136	3.5
146.04485	7.1
153.06581	6.6
155.08160	2.8
160.00641	24.9
166.09830	3.3
167.04544	4.6
167.08136	3.7
173.04521	2.7
174.04712	2.4
177.03287	9.7
179.04538	19.2
181.06110	2.2
185.05569	2.1
191.05502	15.4
192.05905	3.4
192.07585	2.7
192.72028	1.7
210.08768	17.0
225.05942	1.7
254.07805	23.9
272.08902	41.1
273.09265	2.6
288.06696	11.7
306.07651	99.5
307.07932	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81618	13.7
59.01234	73.3
61.98689	15.2
70.75493	14.0
71.15671	31.1
78.95777	79.4
82.68237	13.7
90.50269	12.8
91.49034	13.1
92.92693	13.6
120.49299	15.2
136.00006	12.2
139.68179	12.9
152.99503	100.0
311.72299	15.7
403.18045	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	403.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15091	9.2
51.95416	9.1
59.01253	50.1
61.98701	10.8
70.01206	43.5
78.95792	55.6
92.92708	12.1
96.95887	10.8
98.20546	11.7
152.99477	100.0
224.91580	10.5
292.32889	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	403.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25514	33.2
56.27806	29.5
56.39872	30.7
59.01247	97.8
61.98685	100.0
67.66830	31.7
70.18400	49.2
70.18800	87.5
72.28711	31.5
78.95772	55.0
80.09280	33.8
80.88789	31.0
85.02843	41.6
87.00726	44.9
98.19879	34.6
104.81978	32.5
152.99452	75.2
210.94194	39.8
225.78798	32.7
244.27995	32.7
310.20175	36.8
320.89832	34.0
349.82483	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	2.5
58.00459	1.8
59.01249	100.0
61.98700	4.2
63.71211	0.9
69.24515	0.9
71.01249	27.4
71.04885	2.0
72.99185	5.4
73.02827	4.0
75.00747	9.2
79.50311	0.9
83.01275	2.0
84.02097	0.9
85.02820	8.7
87.00761	3.2
89.02316	25.3
93.03348	4.0
95.01249	1.4
99.00764	1.5
99.04398	2.8
101.02319	16.3
109.02855	5.2
111.04422	1.5
113.02332	9.1
115.00273	4.7
119.03388	8.1
121.02836	18.7
122.03648	3.3
123.04421	4.6
123.08072	1.4
124.01543	1.7
125.02360	2.0
131.03404	1.3
133.02888	1.9
134.03613	1.6
135.02892	3.5
135.04420	1.6
136.05101	1.1
136.45390	0.9
137.02321	2.4
137.40324	1.0
143.03407	2.4
147.04413	3.4
149.05949	1.7
151.03923	1.4
155.07288	1.0
159.04384	2.8
161.04645	1.9
161.06009	5.8
163.03897	1.1
165.05482	2.9
171.10193	3.6
173.04475	3.2
173.05951	1.5
175.02423	4.0
178.02609	2.5
179.05559	3.3
181.12216	1.4
183.10535	1.2
189.05420	1.3
190.06342	1.5
191.05553	2.0
191.07104	3.8
192.07780	3.2
193.05002	1.5
193.12186	1.0
195.13876	4.2
197.11754	7.7
199.13272	8.4
207.10254	1.7
211.13412	1.1
223.13354	22.1
224.13799	1.4
239.12770	4.1
241.05066	2.4
241.14474	1.4
267.12433	1.8
270.09042	1.6
271.15662	1.0
283.11938	10.3
285.13434	20.8
286.13885	1.6
295.10831	1.9
306.07385	3.5
313.14493	1.6
315.14459	1.8
327.13327	2.7
328.13086	8.7
329.13544	2.1
343.15283	31.1
344.15805	4.7
361.18427	8.9
362.16745	1.1
371.12140	1.2
388.15359	3.2
403.18634	27.6
403.23810	2.0
404.18478	2.9
421.19321	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83139	8.9
59.01249	100.0
61.98698	35.9
63.31757	10.2
64.29601	11.3
71.01241	30.0
71.35637	28.4
71.49301	10.9
85.02829	13.7
101.02302	14.2
131.64079	9.6
133.02809	10.0
139.11134	17.0
171.10173	45.0
173.04555	11.2
276.81555	12.6
292.63132	11.5
306.07407	25.1
329.23297	77.5
403.12039	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1972
Annotation	Pisumionoside
Peak:m/z	Relative Intensity
55.01745	2.5
57.03327	3.4
58.00469	1.1
59.01250	73.7
61.98704	5.1
66.03004	0.6
69.03316	1.4
70.45318	0.6
71.01253	29.1
71.04899	0.9
72.99185	2.2
73.02815	10.3
74.02338	5.1
83.01247	5.5
83.04847	0.8
85.02820	13.5
85.99958	2.0
87.00751	4.1
89.02311	5.9
93.03320	1.3
95.01263	2.2
96.95884	1.0
97.02824	1.3
98.20581	1.6
99.00742	3.4
101.02316	18.8
105.03344	1.1
111.00781	1.7
112.01574	0.8
113.02313	8.9
116.03405	3.4
119.03394	1.7
120.72154	0.7
121.02810	1.7
124.01514	1.2
125.02309	1.8
132.02065	0.7
133.02849	10.5
134.03651	5.2
135.04416	1.1
137.02345	3.2
139.03877	1.4
139.11206	0.9
149.05984	0.9
150.03117	1.1
153.12715	0.9
159.03001	0.9
161.02322	1.2
161.04556	3.7
161.05768	1.0
165.05441	1.5
171.26346	0.9
173.04480	2.5
177.01906	3.8
178.02637	8.3
179.03381	1.5
181.12201	3.4
183.13811	2.3
189.37059	0.7
193.04961	3.8
199.11473	1.3
199.13312	22.7
200.13641	1.8
201.42760	0.7
207.54987	0.6
211.13239	1.0
213.14951	0.7
219.08540	0.6
225.07669	1.6
241.14404	1.2
300.22607	1.4
306.07440	14.0
307.07730	1.1
317.19672	7.2
318.20032	0.7
343.17596	18.4
344.17932	1.5
361.18637	50.6
362.19086	4.7
403.19681	100.0
404.20111	10.3
404.25681	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39354	1.3
59.01248	17.1
61.98702	1.9
69.44450	8.8
71.01246	8.3
72.99186	1.5
73.02800	4.1
74.02316	1.2
77.83879	1.5
83.01271	1.4
85.02808	3.3
87.00739	2.8
89.02296	2.9
91.26525	1.5
93.03316	2.6
97.06483	1.5
101.02297	3.5
109.02815	4.6
113.02304	3.1
119.03411	1.2
121.02821	5.6
122.06002	2.1
123.00785	1.5
123.04443	1.4
124.01541	1.5
132.04419	5.3
134.03618	1.6
135.04385	2.9
136.05121	1.6
137.02287	2.6
146.03616	2.5
147.04388	12.9
149.02350	2.2
150.03090	5.8
151.03888	2.7
157.08611	2.4
158.02377	1.9
158.03604	2.4
159.04419	10.7
160.03976	1.8
160.05196	22.0
161.06020	8.4
162.03157	1.5
163.03955	7.0
164.04665	5.8
173.04491	2.8
173.05992	2.7
175.02405	3.0
175.07561	23.1
176.03415	2.4
177.05464	5.8
178.06183	5.1
179.03380	1.8
190.04964	6.1
191.05579	4.3
193.08562	1.6
211.12344	1.5
223.08476	1.4
224.09450	4.4
227.08281	2.2
231.10287	1.8
237.45605	1.5
239.08040	2.1
239.11813	8.6
241.09753	2.8
253.06137	8.6
255.11336	3.0
267.07642	2.6
268.08450	3.5
271.15570	1.6
281.09195	2.8
283.10876	27.2
284.10651	5.9
299.12860	2.2
309.08810	9.0
327.09845	28.7
328.10037	3.8
329.13925	100.0
330.14236	11.6
341.23459	1.4
361.18533	2.4
371.08810	28.1
372.09067	3.2
403.11594	11.7
403.19458	4.1
403.23657	3.1
404.11676	2.7
404.23758	1.4
422.15259	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	403.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	4.4
59.01249	100.0
61.98699	12.1
66.17039	2.2
71.01254	27.4
71.58242	3.3
72.99177	9.7
73.02820	12.1
74.02338	5.4
75.00745	23.4
77.85690	2.3
81.03338	3.0
83.01243	6.8
83.04907	3.8
85.02829	19.9
87.00758	6.8
89.02317	10.2
93.03331	5.9
96.95899	3.4
97.02809	2.7
97.06464	5.1
99.00769	3.7
99.04368	2.6
101.02332	15.2
109.02829	6.5
113.02332	5.9
113.40334	2.6
115.00249	12.2
119.03374	4.5
121.02831	11.8
123.04393	5.4
123.08015	3.4
125.02274	3.4
133.02859	13.6
134.03606	5.6
135.02882	7.3
135.04359	4.7
137.02321	5.7
147.04390	4.5
149.05919	2.8
151.03911	2.9
155.10744	2.3
157.89040	2.2
161.05956	3.9
165.05484	3.0
169.05014	3.1
169.12296	3.8
171.10190	20.0
173.04424	10.5
175.02376	11.5
177.01851	3.6
178.02657	12.2
179.03325	4.0
191.05525	8.6
191.07120	4.7
192.07765	3.8
195.13759	10.1
197.11755	12.1
199.13336	15.4
211.13290	6.6
211.59013	3.3
221.11717	5.2
223.13246	6.8
239.12910	15.7
240.78513	2.4
241.14041	2.9
253.14372	2.9
267.12387	2.8
280.08496	3.9
283.11926	29.1
285.13391	53.0
295.10828	6.6
306.07468	22.8
315.14417	7.6
327.13351	5.5
328.13113	6.1
343.14667	13.1
343.17981	2.8
343.21344	6.3
361.18912	19.4
371.12390	3.8
385.14981	3.0
385.22195	4.1
403.19424	24.5
403.23969	20.4
405.03436	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	403.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	9.8
64.01756	1.0
69.44785	1.6
69.45191	6.7
71.01249	4.3
80.04932	3.1
83.01218	0.8
87.00748	0.9
88.87384	1.0
89.02328	3.6
101.02324	2.6
102.08719	0.8
108.04444	1.8
119.03410	0.9
120.04457	0.9
122.06002	7.4
124.07525	1.7
130.02885	1.6
132.04436	16.9
133.04800	1.0
146.02396	1.5
146.06050	1.2
147.03152	3.2
147.04279	1.3
150.05536	4.1
156.08112	0.9
157.08630	1.7
158.02423	6.4
159.05629	1.0
160.03932	10.6
160.05226	2.5
161.04607	2.2
161.05905	1.2
162.05508	3.7
163.03949	1.0
164.07161	0.9
173.04510	1.4
174.05530	1.9
175.07535	3.3
176.03415	11.2
176.07083	3.7
177.03716	1.1
179.10622	4.4
183.06883	1.1
183.09146	1.2
184.07649	2.1
190.02202	0.9
190.05006	18.7
190.12610	0.8
191.05649	2.5
196.07732	0.9
196.11266	1.4
198.04131	2.0
199.08615	1.2
209.07056	2.0
211.06546	1.1
211.08754	1.9
211.12300	4.7
212.05843	3.1
212.10757	4.8
212.12523	1.0
213.06607	1.7
215.11819	5.7
220.02521	2.3
222.09373	1.2
223.06837	0.9
223.09610	5.8
224.07301	1.8
224.09450	14.9
225.06384	1.8
225.08102	1.7
225.09920	1.5
226.07266	4.9
227.08147	7.0
227.11772	1.2
234.04015	1.5
235.04843	1.3
237.10472	1.3
238.08794	1.5
239.04523	2.3
239.08199	3.5
239.11832	27.9
240.10513	7.1
241.09738	12.7
250.07495	2.7
252.05505	1.1
253.06145	27.9
254.03305	1.2
254.06648	3.2
255.07715	5.4
255.11452	7.5
256.08801	1.7
265.09689	4.3
266.07895	1.2
267.07672	8.0
268.08530	12.9
281.09256	10.0
283.10861	78.8
284.11365	5.9
309.08786	23.4
310.09167	1.8
315.13565	2.2
327.09845	81.7
328.10147	7.0
329.13806	8.8
341.11368	2.9
353.07724	3.2
359.12427	3.5
371.08801	100.0
372.09164	9.2
403.11429	41.1
403.23267	2.1
404.11746	4.5
404.16650	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	15.4
61.98695	3.8
70.92065	3.5
71.01254	6.7
73.02815	3.2
75.00734	1.9
76.02077	0.9
80.04926	2.0
81.03323	1.2
83.73787	1.1
85.02817	4.2
87.00744	2.7
89.02307	2.5
93.03309	1.6
97.06506	1.7
99.00752	1.9
101.02300	2.8
103.42334	1.2
104.05005	1.2
113.02307	1.8
115.00230	3.3
116.04898	1.3
122.06002	10.0
124.07532	2.3
127.03897	1.6
130.02892	2.0
132.04439	17.7
133.02843	2.3
135.02843	1.3
135.04449	1.6
146.02370	2.3
146.05980	1.8
147.03133	3.8
148.03946	2.6
150.05486	5.2
155.10669	2.4
158.02415	9.7
159.02812	1.2
160.03963	12.2
161.02409	1.8
161.04564	3.3
162.05531	5.5
171.10219	1.9
172.11229	2.2
173.04456	1.8
174.05467	3.4
175.02377	5.2
176.03441	14.1
176.07079	3.6
177.05473	1.3
178.02625	1.6
179.03328	1.2
180.04179	1.2
183.09160	1.6
184.07663	1.6
190.05023	24.6
191.05577	4.9
192.06532	1.6
196.11223	1.9
197.11708	1.1
198.04227	1.8
199.09747	1.5
199.13089	1.2
211.08585	2.0
211.12230	5.6
212.05771	4.2
212.10701	3.9
213.06647	2.9
215.11763	5.1
220.02464	2.2
223.04774	2.0
223.08669	5.2
224.07150	2.7
224.09459	14.8
225.07956	3.1
225.09837	2.0
226.07445	6.3
227.08154	4.9
234.04005	4.1
235.04904	1.6
239.08116	2.6
239.11861	31.8
240.10435	6.8
240.12283	2.2
241.09805	13.3
250.07275	1.5
252.05437	2.6
253.06148	28.7
253.08977	2.2
253.09868	1.9
254.06584	4.4
255.07701	4.5
255.11342	9.1
256.08472	3.1
265.09848	4.2
267.07733	8.4
268.08502	13.0
269.08847	1.6
271.15445	1.8
281.09280	5.9
283.10867	77.0
284.11346	6.0
285.13388	4.0
287.10233	1.6
306.07404	2.3
309.08774	20.9
310.08945	2.1
315.13620	3.6
327.09845	100.0
328.10199	9.5
329.13953	1.3
341.11450	3.2
343.21213	1.6
353.07748	4.0
359.12424	5.0
361.22195	5.0
371.08813	82.0
372.09024	9.1
403.11386	58.1
403.23505	4.6
404.11871	8.0
413.92203	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	8.6
71.13380	6.9
71.13718	5.1
72.56530	3.7
72.99181	46.0
85.02828	13.0
87.00767	4.5
93.03349	24.6
93.67999	3.1
95.01235	3.4
95.04888	6.2
109.02831	4.8
109.52828	3.1
111.04414	6.0
119.06002	3.3
121.02850	18.3
123.00802	4.4
123.04391	16.9
133.02861	5.0
137.02315	26.5
137.98112	4.5
139.03912	15.7
143.39339	3.8
149.02391	17.6
151.03969	6.3
160.27902	4.2
167.03441	33.2
173.04460	34.1
191.03943	7.3
191.05539	100.0
192.05855	5.6
193.01367	15.5
207.98416	3.6
211.02475	9.7
229.03398	7.2
247.04567	8.7
343.21271	4.4
403.08841	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	403.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	5.9
60.54185	2.2
67.01748	6.5
71.01260	4.4
71.34597	4.7
72.99180	33.7
73.61539	2.2
74.46922	2.2
81.03339	2.6
85.02814	14.7
85.42594	2.7
87.00754	10.0
89.02322	3.4
93.03333	46.8
109.02833	3.8
111.04404	11.6
121.02825	6.5
123.00770	4.5
123.04380	2.6
124.01557	3.3
134.77559	2.6
136.01604	5.3
137.02344	50.5
138.02612	2.4
139.03923	7.1
146.94141	2.3
149.02351	7.4
155.03462	3.5
165.01892	2.7
167.03407	8.2
173.04471	44.2
191.05539	100.0
193.01431	5.3
203.46085	2.6
211.02396	3.8
247.04599	20.4
367.16080	2.6
397.39761	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	403.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99491	2.3
55.47496	2.4
58.83000	2.5
59.01018	2.1
59.01250	20.1
65.94534	2.4
68.04731	2.1
69.43925	5.2
69.44344	16.4
71.01241	4.8
73.02816	4.6
83.02105	2.6
84.50233	2.1
87.00731	3.3
89.02326	4.5
96.04376	2.1
98.20576	4.6
104.04941	2.8
122.05994	11.5
132.04457	24.3
146.02367	2.5
147.03140	6.6
148.03947	2.7
150.05513	3.8
158.02364	10.0
160.03925	12.7
162.05531	3.9
165.04208	2.7
166.02682	2.9
172.11305	3.7
176.03487	13.0
176.07106	3.3
184.07538	3.2
190.05022	30.5
191.05536	3.5
192.04257	4.3
198.04182	2.8
207.06548	3.4
209.07048	2.9
211.12334	5.0
212.05884	3.1
212.10760	6.8
213.06664	3.4
215.11867	5.0
220.02405	5.2
223.08714	8.6
224.09477	20.3
226.07295	4.7
227.08160	10.1
239.08311	4.2
239.11835	33.1
240.10149	8.4
240.12294	2.9
241.09666	11.2
250.07487	3.2
253.06146	36.5
254.06682	7.3
255.07739	5.6
255.11374	9.3
256.08469	4.4
265.09796	3.7
267.07739	12.3
268.08453	14.0
281.09286	9.2
283.10867	82.9
284.11230	7.5
309.08768	27.6
311.36343	3.2
315.13248	3.3
327.09851	82.3
328.10095	11.8
341.11420	3.0
353.07767	4.5
359.12610	7.9
371.08832	81.5
372.09103	6.1
403.11417	100.0
404.11694	12.4
404.16772	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	401.3058
Annotation	Androsterone Enanthate
Peak:m/z	Relative Intensity
59.01240	0.5
69.95411	0.7
71.01228	0.2
98.20429	0.3
99.18959	0.2
121.02863	1.2
121.58778	0.1
176.60004	0.1
225.05525	0.2
269.10367	0.3
277.37787	0.1
313.07227	0.4
401.30569	100.0
402.30917	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	403.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44120	1.6
56.98997	1.7
59.01234	3.5
60.99174	2.3
67.01756	5.7
69.03327	2.0
71.57290	1.7
72.99183	32.7
75.83020	1.5
83.04880	1.6
85.02816	11.1
87.00754	10.6
89.96550	1.5
93.03333	44.2
99.00775	2.1
108.02036	2.2
109.02856	4.3
111.04398	8.0
121.02829	4.1
123.00776	2.7
123.04400	2.9
124.01525	3.1
124.04698	1.7
127.03941	2.8
136.01559	5.3
137.02339	58.1
137.20555	1.6
138.02670	2.4
139.03851	4.1
149.02382	11.7
151.65533	1.6
155.03360	2.9
160.46782	1.7
165.01862	2.1
167.03400	8.9
173.04463	61.3
174.04814	2.4
191.05531	100.0
192.05920	5.1
193.01399	8.1
211.02328	2.3
247.04552	26.4
385.07678	3.2
403.08884	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	403.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60770	2.9
57.03359	2.8
59.01254	3.5
69.03328	4.0
69.61211	24.5
72.99182	37.1
81.03298	3.4
85.02811	15.8
87.00695	4.6
93.03336	18.3
94.58234	3.4
95.04906	9.1
98.19731	5.6
105.03355	3.7
109.02824	7.1
111.04411	8.2
117.74448	3.5
121.02837	16.4
123.00773	5.0
123.04411	15.9
124.01550	5.7
125.02314	4.8
127.03905	5.7
133.02824	4.7
137.02328	27.5
139.03903	13.4
149.02339	15.7
151.03943	6.2
155.03416	6.2
167.03397	21.7
173.04471	29.1
191.05539	100.0
193.01398	17.0
195.02908	4.6
247.04489	5.2
250.09514	3.1
325.91116	3.4
403.08820	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	401.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	7.4
56.38201	0.5
57.03316	6.1
58.00461	1.8
59.01249	46.3
64.14843	0.5
68.99678	0.8
69.03342	2.4
70.70549	1.1
71.01251	100.0
72.01584	1.2
72.99181	2.8
73.02816	45.2
74.03154	0.5
75.00735	2.9
80.69683	0.5
81.03347	1.5
83.01256	16.1
85.02821	47.3
85.99951	1.2
86.03181	1.2
86.32867	0.4
87.00747	4.8
89.02318	17.2
90.95468	0.6
95.01260	8.2
97.02830	5.0
99.00755	19.6
99.04408	1.1
101.02319	80.2
102.02663	1.8
107.04904	1.2
111.00784	1.5
113.02325	41.9
114.02733	1.0
115.03890	5.3
125.02316	7.6
129.01822	2.2
131.03423	3.9
133.83632	0.5
135.04425	0.5
143.03424	4.9
149.04469	1.7
159.02917	7.8
161.04460	40.0
162.04823	1.9
180.04176	0.5
191.05513	1.5
195.06477	0.6
215.05530	0.7
233.06650	6.4
235.56688	0.5
269.10287	62.1
270.10599	3.9
293.08899	2.0
313.09454	0.5
401.14505	58.2
402.14838	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	401.1816
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01763	2.3
55.65097	0.4
57.03325	3.2
58.00455	1.3
58.18741	0.5
59.01253	26.9
60.01592	0.4
60.69528	0.4
60.94050	0.4
69.03312	0.5
71.01252	21.1
72.99184	1.6
73.02821	5.3
75.00742	0.5
83.01254	4.1
85.02827	9.9
87.00762	1.1
89.02314	8.4
93.03324	2.3
95.01266	1.9
99.00759	1.9
101.02323	15.2
101.02998	0.8
109.02822	0.7
111.04395	0.7
113.02332	6.4
115.03922	0.8
119.03389	3.5
121.02834	0.4
123.08044	3.0
130.08609	0.4
134.03577	0.7
135.04408	1.8
137.02301	0.6
139.03888	0.5
147.04408	0.4
149.04507	0.6
149.05983	0.6
153.17828	0.4
155.03479	0.6
159.02930	0.6
159.04317	0.4
161.04460	1.6
161.09682	0.5
170.84311	0.4
173.04474	3.3
173.05714	0.6
175.50809	0.4
177.12740	4.9
178.13055	0.5
179.03410	0.8
191.05533	5.3
192.05843	0.5
195.13846	1.8
197.08098	0.8
199.18387	0.4
218.35745	0.4
221.11743	4.2
253.11900	0.5
273.04007	0.5
280.07257	0.4
292.09595	0.6
341.10919	0.4
364.38831	0.4
401.18158	100.0
402.18454	10.5
407.79105	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.6
57.03323	4.5
58.00185	0.3
58.00464	6.3
59.01247	100.0
60.01577	0.8
60.99185	0.4
69.03329	1.7
69.31859	2.6
69.32276	1.2
71.01250	89.3
71.04888	0.6
72.01593	1.1
72.99184	7.7
73.02817	9.6
75.00743	0.9
83.01263	5.4
83.71309	0.3
85.02816	22.3
86.03161	0.6
87.00745	4.6
87.04393	2.8
89.02312	85.9
90.02648	1.6
95.01250	6.3
96.95806	0.3
97.02825	0.6
97.06432	0.7
99.00755	4.1
99.07999	0.4
101.02318	56.4
102.02641	1.3
111.00743	0.8
112.49050	0.4
113.02322	35.6
113.09499	0.4
114.02659	0.9
119.03383	39.2
120.03748	0.7
125.02355	1.0
127.07541	0.5
127.66134	0.3
129.01779	0.5
129.09055	0.4
131.03421	3.1
137.02374	0.4
139.11093	0.5
141.12738	0.7
141.57790	0.3
143.03395	4.7
149.04489	3.2
151.11177	0.7
153.00934	0.4
153.09047	0.4
159.02917	1.9
161.02339	0.4
161.04454	9.8
162.04750	0.5
169.12227	1.8
171.13846	0.7
179.05518	3.8
181.12164	1.0
185.11768	0.4
199.13336	2.2
205.03372	0.4
209.11557	0.4
213.14928	0.4
222.21881	0.4
228.13539	0.8
229.14403	0.5
259.89288	0.4
266.33600	0.4
321.24100	1.0
325.20160	0.5
332.27005	0.4
339.25406	7.1
340.25409	0.5
357.26196	0.9
369.26404	1.5
371.27994	16.2
372.27951	1.6
396.78268	0.4
399.23026	4.6
399.27405	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	399.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	28.1
70.91293	50.0
97.89906	24.0
101.26540	21.4
102.40769	21.6
182.44778	24.2
204.00905	20.8
351.35190	21.2
355.32092	61.1
399.25879	38.5
399.30515	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	401.145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
67.92344	1.2
70.96042	1.4
70.96435	3.4
71.01247	27.1
72.99193	3.4
73.02818	20.8
81.02316	1.2
83.01241	6.3
85.02837	7.2
87.00777	1.4
89.02308	10.6
93.03353	5.1
95.01263	1.5
101.02328	22.7
109.02834	1.3
113.02328	10.9
119.03414	4.8
119.04918	23.7
125.02361	2.0
127.03969	1.5
131.03430	1.3
135.04420	2.6
137.02324	2.0
139.00291	1.2
142.74141	1.1
143.03407	2.4
149.04431	2.3
155.03383	1.3
161.04478	4.4
173.04497	4.6
179.03354	1.5
191.05556	19.0
281.10318	18.7
282.10645	2.5
299.11276	6.4
341.12576	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	399.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52721	0.3
57.03316	0.8
59.01249	100.0
60.01579	1.0
69.35162	3.9
71.01257	2.9
73.02821	1.2
83.01274	1.6
85.02829	2.9
87.04413	0.8
89.02291	0.9
92.73719	0.4
93.03338	0.8
95.01282	0.7
99.00747	0.6
101.02337	1.1
113.02327	3.7
119.03393	0.4
136.50577	0.4
149.04448	3.7
155.51144	0.4
161.02406	0.6
165.65947	0.4
167.66750	0.4
169.85744	0.4
171.73854	0.4
173.04504	1.3
175.81369	0.4
189.82797	0.4
191.05527	1.2
223.13409	2.2
267.12415	0.4
399.23926	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	399.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35270	0.5
57.03326	1.9
59.01250	100.0
60.01592	1.5
60.99174	0.7
63.33278	0.5
69.58126	3.1
69.58533	0.7
71.01247	5.4
71.01563	0.6
71.04900	1.5
73.02818	2.8
74.99485	0.5
83.04887	0.9
85.02859	1.5
87.00755	1.9
88.55720	0.5
89.02318	11.0
93.03308	1.2
95.01254	0.7
101.02335	1.9
103.03908	0.9
107.04932	0.7
110.36856	0.5
113.02332	2.3
119.04910	0.5
131.03391	2.4
133.02834	0.5
149.04457	48.5
150.04817	0.7
161.04475	0.6
161.09686	0.9
161.13280	1.3
163.03920	0.6
163.11189	1.1
173.04428	1.5
187.11232	0.9
190.11145	0.5
191.05589	0.7
205.12274	1.0
207.10251	1.5
223.13347	67.4
224.13698	4.4
249.11136	0.6
267.12360	20.7
268.12643	1.2
311.44339	0.6
399.16550	20.1
399.24020	1.0
400.16922	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	399.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.8
57.03320	2.5
58.00463	2.1
59.01252	57.7
60.01586	1.0
60.11219	0.8
61.78662	0.9
61.86660	1.0
69.93715	5.3
70.29723	1.0
71.01251	44.6
72.01579	0.8
72.99176	2.1
73.02818	15.9
73.83273	0.9
75.00747	1.7
83.01261	8.9
85.02818	23.0
87.00758	2.8
89.02317	18.3
89.05942	0.9
93.03346	1.4
95.01270	4.1
97.02859	0.9
99.00768	6.8
101.02320	49.1
102.02638	1.3
113.02327	22.7
119.03382	6.8
121.02839	8.8
125.02325	1.7
129.89113	0.9
135.02641	5.7
137.02269	1.3
143.03355	2.7
155.03441	0.9
159.02869	4.2
159.04129	1.1
161.04471	32.9
162.04819	1.0
165.01949	1.1
173.04498	1.8
173.06039	1.1
175.03883	2.8
179.01689	3.5
179.03339	1.5
179.05487	1.5
180.04282	1.2
191.05518	7.0
195.05312	1.2
251.11331	100.0
252.11629	5.8
282.08218	1.2
374.65637	1.2
399.12784	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	399.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48768	0.6
54.41964	0.7
57.03313	2.4
57.42930	0.6
58.75448	0.6
59.01248	96.7
60.01582	1.3
66.95200	0.6
69.03326	0.8
71.01245	5.7
71.35518	1.2
73.02805	4.9
83.04865	0.9
85.02834	2.3
87.00729	3.3
89.02312	21.1
93.03337	3.2
101.02320	1.0
103.03890	2.0
103.62718	0.7
111.04455	0.9
113.02308	0.9
127.07830	0.6
131.03392	6.5
133.02910	0.9
135.04405	2.9
137.02298	0.9
149.04453	100.0
150.04778	3.5
161.02429	0.7
161.04317	0.6
161.13246	2.4
163.11200	1.4
173.04407	3.7
191.05545	4.7
207.10190	1.1
223.13332	69.6
224.13678	5.0
267.12357	14.2
268.12729	1.3
367.09485	0.8
399.11807	1.1
399.16443	12.9
400.16803	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42263	1.9
59.01247	11.0
65.71742	2.1
70.82386	6.2
79.67455	2.4
79.95621	10.9
95.95129	3.4
96.95883	94.9
96.96503	4.7
98.88817	2.5
101.02318	2.6
112.02580	2.2
122.97484	3.8
123.25812	2.4
209.78329	2.4
230.50034	2.4
293.36481	2.5
299.20108	14.6
307.29813	2.5
353.30563	15.7
397.22620	100.0
397.29431	16.2
398.23022	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	397.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	39.2
69.60417	11.5
71.01247	22.4
71.58924	14.2
79.95625	13.7
96.95908	100.0
101.44191	10.8
136.59819	12.7
179.81618	11.0
287.54697	12.4
307.30154	19.8
353.30515	88.3
397.13205	15.0
397.22629	86.3
397.29251	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74872	0.2
55.01757	3.7
57.03322	8.1
57.07597	0.2
58.00464	1.7
59.01248	27.8
60.01582	0.3
61.98696	0.4
63.07173	0.2
63.63398	0.2
65.07027	0.2
67.01742	0.7
67.44138	0.2
68.99675	0.6
69.03320	2.3
69.46117	0.9
69.46548	0.8
71.01250	100.0
71.04879	1.2
72.01576	1.3
72.99177	3.2
73.02814	14.4
75.00744	0.5
81.03327	2.2
83.01251	8.4
83.04889	0.5
83.56731	0.2
84.02042	1.9
85.02820	59.8
85.99975	0.4
86.03133	1.2
87.00745	4.9
89.02313	19.9
90.02647	0.4
93.03323	0.4
95.01259	19.7
95.04898	0.5
96.01585	0.5
97.02825	2.2
97.06470	0.4
99.00751	7.7
99.04391	2.2
101.02319	23.1
102.02636	0.7
109.06435	0.3
110.10783	0.2
111.00748	0.6
112.01557	1.3
113.02324	99.2
114.02647	2.4
115.03894	0.4
119.03379	5.5
122.03588	0.4
124.01542	0.8
125.02318	1.6
129.01843	0.4
131.03389	1.1
131.72180	0.3
135.08014	0.3
135.11674	0.4
137.02325	0.3
139.00264	1.9
143.03383	3.0
147.11674	0.8
149.04512	0.4
150.03166	0.3
155.03374	0.2
155.07077	0.2
159.02879	0.8
161.02402	0.3
161.04457	7.7
162.04794	0.2
163.11157	0.4
165.12724	0.7
173.04439	0.4
177.12730	0.2
178.02611	0.4
179.05496	0.8
179.10703	1.7
181.12267	0.4
191.05589	0.8
193.04961	1.8
210.01656	0.6
217.15929	0.5
223.13232	0.3
235.16994	1.4
241.07898	0.2
253.18047	0.8
265.14404	0.4
325.16663	0.6
397.22263	11.1
398.22595	1.1
424.70731	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	2.2
57.03317	2.5
58.00467	0.9
59.01250	49.8
69.03342	1.1
69.49634	2.1
69.50051	1.2
71.01251	22.3
72.16148	0.4
72.99177	1.8
73.02816	5.4
76.17874	0.5
83.01251	5.8
85.02818	12.5
85.99973	1.7
86.00489	0.4
87.00747	3.2
89.02312	2.3
95.01252	2.9
97.02834	1.6
98.20607	0.8
99.00740	2.8
101.02320	13.5
101.02997	0.7
109.92909	0.5
111.00739	3.1
112.01531	2.0
113.02324	7.9
115.03904	0.7
116.85549	0.5
124.01570	1.3
125.02361	3.7
129.01819	1.0
133.06407	0.6
135.08073	1.4
141.01794	0.8
143.03369	1.5
151.03795	0.5
159.02907	1.2
175.11211	1.0
177.37608	0.5
191.10710	1.5
193.12267	100.0
194.12605	7.4
205.12276	4.0
207.13957	0.6
215.45979	0.5
233.38104	0.4
235.13327	1.4
245.48685	0.4
263.12885	3.7
307.15778	0.8
337.16556	75.8
338.16901	7.5
355.17596	81.5
356.17923	7.3
397.10580	0.7
397.18585	9.5
398.19373	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31073	0.2
53.00182	0.2
55.01508	0.4
55.01758	4.1
57.03324	9.8
58.00467	1.8
59.01249	30.7
60.01586	0.4
61.98703	0.3
67.01763	0.7
68.99690	0.7
69.03333	2.7
70.86707	0.6
71.01251	99.6
71.04890	1.2
72.01588	1.7
72.99187	3.1
73.02818	14.4
75.00749	0.5
81.03322	2.3
83.01255	8.5
83.04906	0.6
84.02022	2.0
85.02821	62.0
85.99979	0.4
86.03152	1.0
87.00755	4.8
89.02314	20.0
90.02669	0.3
93.03350	0.4
95.01262	20.1
95.04900	0.4
96.01611	0.3
97.02838	2.3
99.00752	6.8
99.04398	1.6
101.02317	26.1
102.02675	0.5
111.00759	0.4
112.01543	1.5
113.02328	100.0
114.02670	2.6
115.03912	0.3
119.03379	4.9
124.01583	0.4
125.02362	1.4
129.01817	0.5
131.03389	1.3
135.04422	0.2
135.11707	0.3
139.00237	1.5
143.03409	2.7
147.11697	1.0
150.03149	0.6
159.02905	0.8
161.04462	8.3
161.05806	0.4
163.11198	0.5
164.01001	0.3
165.12735	1.2
173.04472	0.5
178.02673	1.0
179.03465	0.3
179.05585	0.5
179.10684	1.3
181.12376	0.3
183.13789	0.4
191.05565	0.8
193.04990	2.6
210.01741	0.5
217.15852	0.4
223.13370	0.4
228.62093	0.3
235.17076	1.7
246.01270	0.2
253.18079	0.7
265.14523	0.4
323.83472	0.2
325.16669	0.5
376.18848	0.3
379.21298	0.3
397.22290	10.2
398.22507	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	397.114
Annotation	Cnidioside B
Peak:m/z	Relative Intensity
57.03322	0.9
59.01246	6.4
67.01763	4.2
69.03305	1.2
69.89201	3.2
71.01254	5.8
71.52474	0.6
72.99153	0.6
73.02809	0.8
83.04915	0.8
85.02815	0.8
87.00798	0.8
93.03336	26.5
94.03658	0.9
98.19872	0.8
99.00695	0.8
101.02304	1.1
104.91959	0.6
109.02852	1.1
111.04400	4.1
113.02371	0.8
114.05500	0.7
119.04807	0.7
121.02811	2.8
123.04415	0.7
127.03897	0.8
132.02048	0.8
132.15829	0.6
134.03645	0.6
137.02328	5.3
137.41791	0.6
146.06003	0.7
147.04401	1.2
149.02339	12.0
155.03407	4.3
160.01532	1.2
164.04701	10.0
165.05304	0.8
171.54201	0.7
173.04465	100.0
174.04787	3.4
175.03906	1.7
179.07066	0.8
191.05518	2.4
223.06075	13.2
337.12817	0.7
397.11505	1.7
398.11188	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72544	1.2
54.80752	1.2
55.01757	6.0
57.03312	4.7
58.00459	5.1
58.74563	1.3
59.01249	100.0
69.03312	5.1
71.01253	83.5
71.57719	1.1
72.01607	1.7
72.99177	7.5
73.02821	18.7
75.00732	2.0
81.03328	4.1
83.01252	9.6
85.02821	16.2
85.99981	1.4
87.00742	12.2
89.02315	66.2
90.02664	1.5
91.03904	2.6
93.03316	1.5
95.01250	6.0
97.02823	15.3
99.00755	5.6
99.03515	1.2
99.04327	1.4
101.02321	74.6
102.02642	1.5
109.02826	1.6
111.00725	1.9
111.04401	3.9
113.02328	32.1
119.03390	21.4
121.02866	3.7
125.02343	20.6
127.03790	1.6
131.03415	4.4
133.04961	5.1
139.03909	2.8
143.03398	11.5
155.54491	1.4
161.04468	16.0
162.42560	1.3
167.03461	1.9
169.05038	2.0
179.05515	5.8
217.07082	2.8
221.06596	3.1
235.08214	19.9
253.09360	2.1
277.09064	1.9
305.08884	1.9
361.11514	2.1
379.12357	1.9
397.13498	71.6
398.13788	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	397.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73672	0.5
55.01752	0.7
57.03321	2.2
57.39240	0.5
59.01249	100.0
60.01588	0.9
60.55475	0.5
67.01761	0.5
69.03346	1.0
69.43445	4.6
71.01253	23.8
71.04903	1.2
71.36423	0.5
72.99191	1.1
73.02820	4.1
78.95763	0.5
81.03357	2.4
83.01261	2.4
83.04921	1.7
85.02823	10.9
87.00757	1.1
89.02312	4.9
93.03329	1.5
94.45163	0.5
95.01255	3.0
97.02844	0.5
99.00771	1.7
99.04382	3.9
101.02331	5.7
113.02324	16.9
115.07558	0.6
119.03416	1.5
125.02315	0.9
143.03412	1.1
161.04478	2.0
166.71593	0.5
173.04518	2.4
179.03407	1.1
181.12292	0.6
183.13828	1.1
191.05666	1.0
215.09219	0.7
235.17032	2.0
253.18144	1.4
299.82938	0.6
397.13998	1.6
397.22409	1.4
416.20654	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81921	0.3
57.03318	0.8
59.01249	100.0
60.01595	0.9
69.03353	0.4
69.29543	3.7
71.01251	9.0
71.04904	0.4
73.02831	1.8
75.62269	0.3
78.95761	1.8
81.03332	0.7
83.01278	1.2
85.02818	4.6
87.00758	0.5
89.02320	2.8
93.03340	0.8
94.36724	0.3
95.01281	1.4
99.00768	0.8
99.04404	0.5
101.02319	3.5
111.00809	0.3
111.25560	0.3
113.02334	7.1
115.91187	0.3
119.03389	1.0
123.04373	0.4
131.03400	0.5
132.05775	0.4
133.06480	19.0
134.06857	0.7
135.04472	0.4
149.04434	0.5
152.98444	0.3
152.99466	2.0
159.02985	0.4
161.02335	0.4
161.04491	1.5
161.65971	0.3
173.04453	1.7
179.03398	1.0
179.10728	0.7
191.05524	1.0
232.50816	0.3
265.14471	0.7
286.58420	0.3
337.16815	0.4
348.64636	0.4
365.13861	0.5
397.21948	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.4
57.03318	0.9
59.01250	3.3
60.99172	0.5
61.28122	0.4
62.49834	0.4
67.01758	4.4
69.03319	1.2
69.53415	2.3
71.01244	3.8
72.99196	0.6
73.02808	0.6
77.17792	0.3
81.03328	1.0
83.01250	0.8
83.04900	1.3
85.02813	2.2
87.00750	1.4
93.03333	27.4
94.03671	1.0
95.01210	0.3
99.00716	0.4
99.04398	0.4
101.02321	0.8
102.01950	0.4
109.02841	1.1
111.00749	1.1
111.04410	5.0
113.02343	0.8
119.04917	0.8
121.02844	2.3
123.04397	0.4
127.00292	0.7
127.03830	0.5
129.01811	0.5
132.02090	0.5
137.02335	4.3
145.02815	0.7
147.04463	0.9
149.02347	16.8
150.02678	0.5
155.03395	4.2
160.01610	0.8
163.03932	0.8
164.04710	11.2
165.04991	0.6
173.04472	100.0
174.04793	4.2
175.03964	0.7
179.07039	1.1
191.05539	9.1
193.04988	0.7
195.63077	0.4
208.03627	0.4
223.06061	14.1
224.06433	0.6
235.09880	0.4
238.40390	0.4
384.02582	0.4
385.45718	0.4
397.11328	1.6
397.15192	1.4
398.11130	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	4.2
57.03319	3.6
58.00458	2.0
59.01245	38.8
59.17739	0.4
60.01572	0.5
68.10220	0.3
68.99683	0.5
69.03323	1.5
69.64592	3.0
71.01249	51.5
72.01570	0.7
72.99171	3.2
73.02813	24.8
75.00742	1.0
81.03325	0.7
83.01254	18.6
84.01604	0.5
85.02818	29.2
85.06471	0.7
85.99963	1.4
86.03149	0.5
87.00759	2.2
87.08044	0.4
89.02312	6.7
93.03349	0.5
95.01245	3.0
97.02822	2.1
99.00751	7.5
101.02316	63.9
102.02652	1.3
103.03868	1.9
109.02837	0.5
111.00739	1.5
111.04357	0.4
111.86614	0.4
113.02322	21.0
114.02629	0.5
115.03861	0.5
119.03376	1.3
125.02330	2.6
129.01813	1.8
137.76802	0.4
143.03424	2.4
145.05006	0.5
157.08583	0.6
159.02910	4.4
161.04457	19.2
162.04796	0.7
163.06032	1.1
173.04457	1.4
173.05959	1.3
190.02618	1.5
191.03387	2.9
191.05504	1.6
204.02776	0.4
205.03491	1.1
215.05194	0.6
215.07085	6.4
229.07083	0.9
247.08240	0.8
249.13388	100.0
250.13771	6.4
293.12430	1.6
347.91022	0.4
395.10617	0.8
395.19180	29.5
396.19635	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	395.2201
Annotation	(9S,10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate
Peak:m/z	Relative Intensity
59.01231	1.4
65.02827	0.5
71.13963	1.4
73.09884	0.5
78.87099	0.5
78.95773	75.2
96.96841	5.9
107.74963	0.5
150.97943	1.6
152.99481	100.0
153.99826	1.1
171.00548	2.6
218.13567	0.6
225.09424	0.5
241.21703	2.4
266.09787	0.5
313.67093	0.6
395.21973	12.8
396.22321	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	396.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.4
59.01251	100.0
60.01587	1.4
68.01295	2.4
69.38142	3.2
69.38544	1.2
71.01254	4.6
73.02815	2.6
83.01269	0.9
85.02817	2.8
93.03323	0.5
95.01287	0.6
99.00766	0.7
101.02332	3.4
102.02665	0.8
110.02349	1.2
111.19407	0.6
113.02338	2.1
131.03548	0.7
131.11513	0.6
135.04405	0.6
137.02312	0.6
147.04453	2.0
149.06013	2.3
161.04480	2.9
162.04898	0.5
178.90863	0.6
181.06409	0.5
188.05670	0.6
191.03508	0.7
191.05569	0.7
199.07744	0.7
203.05632	1.8
218.29968	0.5
230.06609	3.7
249.13702	0.5
263.15027	1.0
264.15372	2.5
276.08835	0.6
279.18167	0.7
396.19656	3.3
397.11377	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26905	0.2
57.03325	1.0
58.00447	0.2
59.01249	6.7
59.56815	0.2
60.99170	0.7
67.01759	4.7
69.03337	1.4
69.79389	1.0
71.01250	6.0
71.04875	0.2
72.99188	0.4
73.02805	0.7
81.03332	1.2
83.01262	0.5
83.04887	1.4
85.02815	3.5
87.00750	0.6
89.02317	0.8
93.03329	30.5
94.03667	0.8
95.01276	0.4
97.01392	0.2
99.00764	0.4
99.04369	0.7
101.02321	0.9
108.02016	0.2
109.02837	0.9
111.00723	1.2
111.04400	6.0
112.04710	0.2
113.02330	2.7
117.03330	0.3
119.04914	0.2
121.02843	2.6
125.02329	0.3
127.03886	0.9
132.02107	0.4
135.04425	0.2
137.02335	4.8
147.04402	1.2
149.02341	18.2
150.02672	0.8
155.03400	4.3
156.03790	0.3
161.04463	0.4
163.03931	0.3
164.04694	13.2
165.04982	0.6
173.04462	100.0
174.04807	3.7
176.58714	0.2
179.03435	0.2
179.07045	1.4
191.05513	4.1
191.07114	0.3
208.03723	0.3
209.93683	0.2
223.06058	14.6
224.06468	0.9
397.11176	1.7
397.22507	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1922
Annotation	Creoside IV
Peak:m/z	Relative Intensity
52.77391	0.8
55.01757	5.9
57.03316	5.2
58.00464	2.4
59.01251	47.3
69.03332	2.3
69.46974	5.6
71.01251	62.1
72.01587	1.1
72.99160	2.1
73.02820	34.4
75.00730	1.4
83.01254	15.8
85.02824	36.0
85.03345	1.8
87.00742	4.2
87.52280	0.8
89.02311	12.2
95.01253	4.8
96.95878	0.9
97.02818	3.2
99.00752	14.0
99.08060	1.4
101.02321	65.7
102.02646	1.4
108.02061	1.0
109.71763	0.8
111.00766	2.7
113.02328	24.2
115.03901	2.2
119.03352	1.7
125.02351	4.2
129.01830	2.4
131.03372	4.0
135.04478	1.0
143.03433	3.9
149.04477	3.2
157.10110	0.9
159.02931	4.2
161.04460	19.9
172.05226	0.8
185.14851	0.8
191.05510	2.3
215.07069	7.1
218.15608	0.7
233.06630	2.6
243.03023	1.1
255.02975	2.8
263.14984	100.0
264.15390	6.8
271.02478	5.2
272.03030	1.4
293.08792	1.3
300.02756	6.6
315.05066	16.3
316.05618	1.5
395.00949	1.5
395.19199	80.0
396.19522	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	395.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.6
57.03313	1.7
59.01251	2.9
61.00890	5.2
68.99690	2.2
69.03321	1.3
71.01251	3.5
71.56303	0.4
71.56718	0.6
72.00780	0.6
72.99183	4.0
73.02811	1.0
75.00745	3.4
75.02460	3.4
83.01254	3.3
85.00896	4.5
85.02824	1.1
87.00764	1.1
87.04380	2.2
89.02309	1.9
96.95866	0.6
96.99209	0.8
97.99938	0.6
99.00751	3.9
99.02458	1.7
101.00413	0.6
101.02320	5.0
103.00244	1.2
103.01970	0.8
111.00750	0.9
112.98692	6.1
113.00397	1.0
113.02322	0.8
113.04054	0.8
114.98322	1.6
115.00235	1.0
115.01960	6.0
124.98689	1.7
125.15307	0.4
127.00267	0.9
127.01986	1.2
129.01820	0.8
129.03531	1.5
131.01445	0.6
131.03371	2.0
132.99403	0.5
134.90749	0.3
142.99763	1.8
143.01486	1.7
145.01326	4.6
149.04446	1.3
154.99751	0.9
157.01353	4.0
157.03043	20.2
158.03394	0.6
159.02907	0.9
171.00969	5.4
173.00812	1.3
175.04106	10.0
176.04427	0.5
187.00557	1.0
187.02396	2.6
187.03986	0.8
189.05661	4.5
199.00536	0.7
201.01939	0.4
217.05220	4.6
231.03151	1.3
247.02621	6.0
247.06371	0.6
259.06302	1.4
259.09338	1.6
263.05789	15.3
264.06116	0.9
303.05338	2.5
335.07544	0.5
363.07324	2.4
380.19357	0.5
395.09995	100.0
396.10345	7.4
396.15186	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28462	0.7
55.01750	5.5
57.03324	4.5
58.00471	1.0
59.01250	35.4
61.69437	0.8
69.03345	1.5
71.01250	51.8
71.11982	2.2
72.99165	2.3
73.02818	27.3
75.00743	2.3
81.03349	0.9
83.01248	11.4
85.02822	27.7
85.99930	1.3
87.00751	3.3
89.02318	12.3
95.01250	3.3
97.02831	2.3
99.00764	10.4
99.04410	0.9
101.02322	58.5
102.02652	1.5
111.00727	1.8
113.02331	20.0
115.03883	0.9
125.02314	3.5
131.03384	3.6
143.03423	2.3
145.10118	0.9
149.04424	1.6
155.03384	0.9
159.02954	4.3
161.04463	19.4
173.04509	1.6
173.05968	1.6
179.05594	0.8
191.05595	0.9
205.03410	1.1
213.06290	0.9
215.07085	12.7
216.07477	0.8
233.06613	3.6
235.58020	0.9
263.14978	100.0
264.15298	7.2
271.02451	2.4
293.08707	1.0
300.02808	1.6
315.05154	3.5
341.38480	0.9
349.18649	1.7
395.19171	76.0
396.19513	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	392.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	8.2
65.99714	2.0
67.01750	4.5
71.01244	5.7
71.06856	4.3
78.95748	2.8
85.02827	8.0
87.00761	2.5
93.03332	31.0
104.81378	1.9
108.82813	1.5
109.02814	2.6
111.04386	5.9
113.02377	1.7
119.04919	3.8
127.03886	2.8
133.02829	5.3
134.03624	3.5
135.04398	6.2
137.02354	11.5
139.44356	1.8
145.02835	3.5
147.04411	62.9
148.04842	2.1
151.03918	2.3
155.03384	6.1
173.04472	100.0
174.05544	36.9
178.02631	4.8
179.03403	2.7
191.03468	8.4
191.05527	42.2
200.03477	19.8
212.05505	2.9
218.04530	87.5
219.04832	3.6
245.82658	1.6
305.39548	1.7
310.44345	1.9
392.09964	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	393.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43420	0.5
59.01259	4.9
61.98666	0.5
63.24236	0.5
70.24077	2.0
72.38358	0.5
75.00728	0.9
78.95773	73.4
95.04889	1.2
96.95959	0.5
96.96841	5.6
98.20480	0.7
150.97971	1.7
152.99489	100.0
153.99826	1.6
171.00584	2.9
171.10161	0.8
174.99149	1.0
183.01132	1.4
217.00258	1.9
239.20201	1.1
277.21725	2.1
295.22867	4.3
311.16827	4.1
329.14417	0.6
349.16965	0.5
393.20068	17.0
394.20398	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	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99949	0.4
59.01248	100.0
60.01586	0.9
61.98701	0.6
65.99709	0.4
67.72080	0.4
71.29674	0.4
71.30006	0.4
85.02829	0.5
89.02284	0.4
103.75465	0.4
105.23612	0.4
118.50976	0.5
132.11171	0.4
133.28053	0.4
150.90344	0.4
175.06889	0.6
212.18924	0.4
217.00266	1.5
239.09302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01582	1.2
69.51437	1.7
71.01245	0.6
73.02851	0.3
85.02867	0.3
86.68511	0.2
96.95919	0.5
101.02312	0.3
111.61446	0.3
113.02333	0.4
134.19496	0.3
172.57794	0.2
189.09152	0.6
211.13329	2.7
217.00294	0.4
264.41882	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01587	0.9
62.69669	0.3
71.01258	0.3
71.21896	0.7
73.02889	0.3
291.18228	0.3
330.95413	0.3
351.14627	0.3
351.58966	0.3
356.57562	0.3
357.22681	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58553	0.8
53.48375	0.8
59.01250	100.0
60.01597	1.6
64.24671	1.0
67.01766	0.8
70.71645	2.1
70.71998	1.6
71.01257	14.3
73.02815	4.3
76.63113	0.9
77.88740	0.9
83.01270	1.8
85.02834	6.5
87.00730	1.2
89.02316	7.5
92.61364	0.8
93.03321	3.0
99.00734	2.5
101.02332	13.6
101.05980	1.8
111.04401	1.1
113.02322	5.7
114.13477	0.9
115.07515	2.9
119.03403	3.1
125.02252	0.9
135.04398	3.1
138.73029	0.9
143.03407	1.2
158.03412	0.9
159.02850	1.3
161.04453	8.7
163.03842	1.0
172.13371	6.5
173.04390	5.2
179.03391	1.0
191.03491	1.2
191.05508	8.6
220.06024	2.2
221.62631	1.0
232.02522	0.9
334.18689	28.9
335.19064	3.2
395.15588	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	391.3216
Annotation	Phaffiaol
Peak:m/z	Relative Intensity
57.03329	0.5
59.01250	5.8
70.33839	2.1
81.03338	2.2
97.06454	0.9
122.03636	1.4
130.26097	0.5
165.12727	0.5
175.04230	0.5
183.17419	1.2
197.19090	0.5
255.23398	0.6
349.31012	2.1
384.59097	0.4
387.04425	0.6
389.30582	3.2
391.32162	100.0
392.32513	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	392.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30858	1.0
59.01247	3.0
67.01752	1.4
70.10319	2.1
70.10719	2.6
71.01266	2.0
82.53789	1.1
85.02820	12.4
87.00755	4.2
93.03345	13.2
102.98457	1.2
111.04379	2.3
127.03853	1.8
133.02858	2.3
134.03618	1.1
135.04398	9.6
137.02310	1.5
145.02867	3.2
147.04393	6.6
151.03807	1.3
155.03400	1.2
158.18561	1.3
159.01202	1.1
171.02744	1.3
173.02380	7.2
173.04506	5.7
174.01843	1.9
174.05511	5.0
179.03421	3.3
191.05536	100.0
192.05843	4.6
200.03468	20.9
217.26707	1.3
218.04462	10.3
230.06679	3.0
230.74675	1.1
392.09814	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	391.3217
Annotation	Phaffiaol
Peak:m/z	Relative Intensity
51.29648	0.3
58.76841	0.4
59.01250	7.6
70.89313	0.6
70.89645	0.6
78.95749	0.3
81.03325	2.4
100.68919	0.3
101.02335	0.4
118.68374	0.4
119.02884	0.4
120.16553	0.4
122.02839	0.4
122.03639	1.4
135.17876	0.4
141.01575	0.5
150.82750	0.3
152.99486	1.4
155.54959	0.4
162.83780	0.5
163.15483	0.4
164.83498	0.5
227.20157	1.4
249.86023	0.3
255.23268	8.7
256.23651	0.9
305.28369	0.5
308.00455	0.4
309.20435	1.2
349.31116	2.7
382.29037	0.4
383.46463	0.4
389.30612	1.4
391.32150	100.0
392.03549	0.6
392.32507	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	391.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70498	0.3
55.01760	1.3
57.03321	1.2
58.00472	1.5
59.01250	100.0
60.01584	1.4
69.03331	0.4
71.01252	24.0
71.24370	0.3
72.01575	0.4
72.99171	1.5
73.02818	16.2
75.00741	0.5
83.01252	4.8
85.02823	7.9
87.00757	1.8
89.02315	12.8
93.03395	0.3
95.01270	1.7
97.02863	0.6
97.06426	0.5
99.00756	1.7
101.02319	19.2
102.02726	0.5
103.03925	1.2
106.94299	0.3
111.00787	1.3
111.04431	0.3
113.02331	8.6
119.03388	5.5
121.64885	0.3
125.02347	1.3
129.09108	0.3
131.03409	0.7
135.04466	0.4
139.11182	0.5
141.09135	2.1
143.03418	2.8
149.04546	0.7
151.11192	0.7
153.09065	0.6
155.10727	0.4
159.02917	0.6
161.04459	6.2
169.12279	0.5
173.04483	0.6
179.05544	1.9
184.23474	0.3
187.13327	7.0
191.05615	0.6
199.60004	0.3
199.61984	0.4
205.96385	0.3
211.13406	0.6
229.14473	1.9
253.14505	0.4
271.65884	0.3
278.92621	0.3
299.15140	0.4
317.23419	0.7
331.17624	7.7
332.18027	0.5
349.18668	20.1
350.18997	2.0
391.19604	1.3
391.26996	7.5
392.27307	0.8
407.98532	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	9.8
59.01250	94.3
69.03323	6.6
71.01259	3.0
71.25140	3.2
83.04900	3.0
86.82682	1.7
89.02290	1.9
93.03352	2.9
99.92454	2.2
107.08515	2.1
108.05666	2.0
119.08552	19.2
121.10112	4.3
125.09616	5.3
127.11181	4.5
135.08055	3.4
137.09618	57.2
138.12518	2.1
139.11150	7.3
147.70621	1.8
148.08810	2.2
151.07541	1.9
155.10683	4.3
167.10677	3.5
171.10182	100.0
172.10565	4.4
174.97836	1.7
174.99121	9.7
179.10451	4.5
183.10159	5.4
185.11754	20.3
193.08403	14.6
197.11726	2.1
201.11304	6.5
207.09962	92.5
208.10320	6.8
213.11298	8.1
217.00255	43.2
223.09492	2.3
223.11789	2.9
225.09743	4.3
227.18034	3.3
245.19078	7.7
253.09253	8.3
267.11011	3.6
273.18616	9.2
291.19662	32.3
292.19849	3.3
295.16806	4.4
309.17468	3.1
309.20676	85.1
310.20935	9.1
313.17838	92.9
313.21506	4.4
314.18201	9.2
331.17758	4.3
373.18579	3.8
391.20212	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.5
56.55946	0.4
56.84055	0.4
56.88054	0.5
57.03316	1.3
58.00466	0.8
59.01249	100.0
59.44548	0.4
60.01591	1.1
69.03341	0.9
69.52044	2.4
69.52459	1.0
69.67577	0.4
71.01252	21.0
72.99189	1.2
73.02818	10.7
83.01254	3.6
85.02818	5.7
87.00755	1.7
87.04375	1.0
89.02312	12.4
95.01263	1.5
95.72303	0.4
98.19814	0.8
99.00778	1.1
99.04401	0.5
101.02323	15.7
101.02998	0.9
103.59846	0.4
104.43040	0.4
113.02330	12.6
117.73070	0.4
119.03386	5.5
119.90806	0.4
125.02361	0.8
131.03395	0.7
134.03497	0.4
143.03433	1.7
144.02959	0.6
149.04483	1.4
159.02971	0.6
161.04446	7.1
161.79761	0.4
162.03981	0.4
173.04495	0.6
179.05557	1.7
185.11761	0.6
187.13316	7.7
188.13664	0.8
191.05598	1.6
233.09341	0.4
259.12109	0.5
322.86945	0.4
331.17572	7.1
332.17838	0.9
349.18658	17.7
350.19055	1.7
391.19989	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.1
57.03318	2.0
58.00457	1.7
59.01249	100.0
60.01601	1.2
63.86555	0.5
69.03333	0.7
71.01251	35.1
71.58926	0.5
72.02053	0.5
72.99184	1.3
73.02817	14.7
75.00765	0.9
83.01254	4.7
85.02823	12.0
85.99949	0.9
87.00748	11.0
89.02315	11.9
93.03323	0.4
95.01272	2.6
96.95902	0.5
97.02840	1.2
99.00754	2.7
101.02321	24.1
111.00775	1.4
113.02330	12.5
114.02650	0.4
115.07520	0.8
119.03387	5.2
125.02364	1.3
129.01849	1.2
131.03398	0.8
135.04462	0.6
141.01846	0.7
141.09103	17.0
142.09448	0.8
143.03447	1.4
143.10664	3.9
149.04456	0.7
153.12753	1.2
159.02916	2.1
161.04471	13.1
167.10695	1.5
169.12305	0.6
179.05614	1.1
187.09729	1.1
187.13358	1.8
191.05682	0.5
203.05557	0.7
217.00261	0.7
223.13364	0.6
259.15616	1.5
283.15643	0.5
301.16324	0.7
331.17618	7.4
332.18143	1.0
349.18665	31.1
350.19061	2.9
358.02328	0.5
391.12381	0.8
391.19696	2.3
391.26987	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	391.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26690	0.6
59.01251	100.0
60.01585	1.4
61.93594	0.6
63.27510	0.5
65.69048	0.5
69.35265	1.7
69.35683	4.3
71.01249	9.4
73.40567	0.5
85.02826	1.5
87.00723	0.7
89.02311	12.6
95.01270	0.9
101.02308	4.6
113.02322	3.6
119.03410	5.9
125.02378	0.6
131.03455	0.7
137.02383	1.2
143.03394	0.8
143.06738	0.6
161.04521	0.9
173.04449	0.9
177.05559	0.7
179.05585	2.6
181.05042	0.7
331.17560	1.3
343.15619	0.7
376.15454	1.4
391.17621	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	391.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07858	0.1
50.67604	0.1
56.63609	0.2
59.01249	100.0
60.01597	0.9
66.99311	0.2
67.33282	0.2
71.01254	0.8
71.58867	0.3
73.02833	0.3
78.95818	0.2
85.02834	0.3
86.10991	0.2
89.02327	0.3
93.03364	0.2
99.00748	0.2
101.02285	0.3
113.02333	0.4
115.04189	0.2
129.10263	0.2
135.04465	0.3
138.54553	0.2
146.81619	0.2
161.04439	0.2
167.60593	0.2
174.99147	0.3
176.04092	0.2
205.34709	0.2
217.00230	1.9
292.84561	0.2
331.17719	0.3
391.20313	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70371	0.8
57.03325	1.4
58.00429	0.9
59.01249	100.0
60.01577	0.9
60.99158	0.9
67.01746	1.6
69.03336	1.9
71.01250	30.7
72.99167	1.6
73.02816	14.9
77.28146	0.8
78.01254	1.0
79.02767	1.0
83.01257	3.6
83.04922	1.1
85.02824	10.1
87.00736	5.3
87.04398	1.7
88.18228	0.9
89.02312	17.5
93.03338	11.4
94.03697	0.9
95.01253	1.2
99.00741	2.6
101.02322	24.6
111.04405	1.8
113.02311	11.5
119.03374	10.0
119.13271	1.0
129.01909	0.9
131.03336	1.1
135.04419	13.0
136.04735	1.2
143.03410	2.5
155.03448	1.4
159.02962	1.0
161.02321	1.3
161.04440	7.0
173.04462	25.7
174.04819	1.4
176.23906	0.9
179.03458	4.3
179.05472	2.7
187.13344	7.1
191.05531	39.3
192.05872	2.2
200.45772	1.0
318.99393	0.9
327.14639	1.0
331.17526	11.0
349.18655	25.1
350.18903	2.1
353.08725	12.3
354.09171	1.8
355.09369	1.5
391.06131	1.7
391.19733	6.2
392.19031	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.6
59.01249	100.0
60.01599	1.7
62.59200	0.6
71.01250	7.4
71.58347	1.2
73.02818	4.6
83.01244	0.8
85.02839	2.1
87.04388	0.7
89.02304	4.6
95.01281	0.9
101.02328	6.7
113.02329	4.7
119.03432	1.2
161.04526	2.8
179.05623	0.8
187.13321	3.0
197.49747	0.7
217.00262	0.9
237.05640	1.1
241.52293	0.6
253.91327	0.6
331.17838	2.7
349.18704	4.6
391.11871	2.9
392.12286	0.8
410.87039	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79178	0.3
59.01250	100.0
60.01581	0.9
64.95175	0.3
71.01257	4.1
73.02833	0.7
78.12307	0.3
85.02837	0.8
86.87599	0.4
87.00732	0.4
89.02317	5.6
92.94837	0.3
101.02325	3.0
113.02322	2.1
119.03386	1.9
131.03383	0.4
143.03438	0.5
145.50084	0.3
161.04485	0.8
179.05554	1.0
229.62500	0.5
331.17484	0.9
391.19641	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	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13102	0.3
54.19210	0.2
55.01758	0.8
55.02014	0.2
57.03329	1.5
58.00467	1.2
59.01249	100.0
60.01584	1.1
69.03330	0.6
71.01255	22.2
72.02058	0.4
72.99192	1.8
73.02818	11.5
74.03107	0.3
75.00769	0.3
81.03350	0.3
83.01251	4.2
85.02821	6.5
87.00747	1.5
87.04373	0.4
89.02315	15.0
93.03342	0.5
95.01270	1.6
96.95928	0.3
97.02869	0.3
97.06444	0.3
99.00770	1.4
101.02321	18.1
102.02635	0.5
107.04972	0.3
111.08062	0.4
113.02330	8.8
114.02656	0.3
119.03382	6.3
125.02339	1.1
125.09584	0.3
127.03926	0.4
131.03394	0.9
133.02702	0.3
134.03661	0.3
135.04448	0.4
137.02415	0.3
141.09132	1.0
143.03391	1.8
149.04462	0.9
151.11174	0.8
153.09161	0.4
155.03314	0.3
159.02898	0.6
159.06491	0.7
161.02425	0.3
161.04459	7.8
161.66257	0.3
169.12234	1.0
171.10179	1.0
173.04498	0.7
179.05545	3.6
183.62097	0.3
185.11768	0.8
187.13324	4.2
188.13821	0.3
191.05487	1.3
201.11255	0.6
203.05548	0.3
215.12802	0.5
229.14354	0.6
253.14445	1.0
331.17566	2.8
349.18649	10.4
350.18933	0.7
373.25711	0.5
391.19778	1.3
391.27008	18.2
392.27380	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01042	0.3
55.01749	0.8
57.03309	2.2
58.00458	0.6
59.01248	100.0
60.01583	1.0
60.99064	0.4
69.03343	1.2
71.01252	14.8
71.04912	0.9
72.99186	0.6
73.02816	7.3
75.00752	0.4
83.01260	2.5
83.04896	0.9
85.02821	5.5
87.00767	1.0
87.04385	0.4
89.02314	5.1
94.31251	0.3
95.01270	1.2
95.04883	0.5
97.06461	15.1
99.00768	1.0
101.02318	9.6
106.93210	0.4
109.06468	0.8
113.02325	8.6
113.03056	0.6
115.07496	0.5
119.03382	2.1
121.06508	0.5
123.08054	0.5
125.02364	0.7
125.09582	0.4
127.07529	4.5
131.03436	0.4
137.09637	0.6
141.05492	0.5
143.03387	0.9
149.09612	1.1
152.96700	0.4
155.10683	0.4
159.02907	0.8
161.04465	4.8
167.10689	11.8
167.12054	0.7
167.35706	0.3
169.12206	0.3
173.04472	0.5
179.05556	0.7
183.10272	0.4
185.11757	5.3
186.12079	0.3
203.05598	0.5
209.11757	0.4
227.07152	1.7
229.81853	0.5
229.83887	0.4
259.11990	0.5
329.16016	4.8
347.17084	7.6
348.17401	0.6
371.24234	0.7
389.17899	2.6
389.25458	5.4
390.25867	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1817
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03327	1.3
59.01247	15.4
59.25361	0.4
61.27015	0.4
68.89559	0.4
69.29501	4.5
71.01256	5.6
72.99158	0.6
73.02827	1.3
83.01254	0.7
85.02828	2.2
87.00783	0.5
89.02301	3.0
97.06508	0.5
101.02316	3.5
111.08057	1.9
113.02328	3.7
119.03384	0.9
125.23666	0.4
161.04451	0.9
165.12755	21.8
166.13115	1.1
179.03548	0.4
183.13818	73.0
184.14157	4.2
197.15434	2.0
207.13818	1.3
209.11761	1.5
225.14952	1.5
227.12830	100.0
228.13155	6.8
241.14340	0.4
251.12842	3.3
252.13391	0.5
269.13916	1.6
293.13855	0.6
329.16263	0.8
347.24677	0.5
374.84607	0.5
389.18079	3.2
389.25470	1.3
392.29364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	100.0
66.44465	45.8
86.05354	52.6
131.24936	44.9
135.78682	59.8
161.53065	62.1
213.92673	54.7
229.42691	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82927	48.4
59.01231	100.0
77.72263	47.7
93.37823	49.2
97.27264	52.7
114.74793	49.5
136.09294	57.5
186.86485	60.0
229.94630	78.8
251.55643	55.8
293.13257	55.6
358.45969	51.3
389.30197	90.7
390.94617	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
63.40715	5.9
69.93973	35.3
78.32328	5.9
81.57793	5.5
83.61919	7.7
91.33069	8.1
110.79801	5.9
112.11903	6.1
325.19406	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	391.1763
Annotation	Neocynapanogenin C
Peak:m/z	Relative Intensity
56.87422	0.7
59.01250	47.6
64.42013	0.6
69.03300	1.0
71.01250	3.4
71.58243	0.9
81.03314	1.1
85.02815	1.6
89.02310	2.6
93.03333	2.0
101.02297	2.8
102.51105	0.7
108.02053	1.5
109.02838	8.4
111.04446	1.0
113.02329	1.4
117.03353	0.7
119.03372	1.0
120.68991	0.8
121.02840	10.4
122.03649	4.2
123.00742	1.4
123.04442	4.0
124.01578	3.5
125.02331	7.1
135.04427	1.7
136.01570	1.2
136.05165	1.7
137.02338	24.2
138.03143	7.1
139.03920	7.5
146.03630	1.2
147.04413	5.0
149.04265	0.8
149.05969	1.7
150.03085	2.3
151.00209	0.9
151.03915	10.8
152.04704	4.2
153.05408	1.5
154.02596	0.9
155.10648	4.7
159.04422	3.0
160.05190	2.9
161.02332	1.2
161.04642	1.3
161.05978	7.7
162.03067	1.4
162.06783	0.9
163.03905	2.3
164.04694	2.1
165.05492	8.6
166.02660	0.9
166.06168	1.3
168.04233	0.8
168.09030	0.7
170.02112	1.5
171.10208	1.0
173.05971	1.1
174.06688	1.2
175.03893	2.4
175.07536	2.5
176.04724	6.1
177.04025	1.2
177.05472	13.7
177.78563	0.7
178.05959	1.5
179.03467	1.2
179.07042	4.0
180.04211	6.1
181.04988	10.4
184.03688	2.0
187.03935	0.7
188.04649	0.9
189.05452	2.0
190.06239	2.0
191.07057	4.9
192.07800	2.9
194.05786	4.2
195.06546	14.2
196.06854	1.1
199.09685	1.4
205.08640	0.9
206.05647	1.3
207.06573	4.7
208.07230	1.3
209.08124	3.3
217.10713	3.7
223.09662	1.2
259.11774	3.2
285.11423	1.0
298.08414	1.1
309.04877	0.8
313.10846	5.6
327.12265	1.3
328.13120	5.3
331.11862	8.7
332.12161	1.3
341.13766	1.6
343.11880	1.2
343.15482	13.9
344.15915	1.3
345.13437	3.4
358.14200	1.2
361.12918	11.7
362.13116	0.9
373.16354	3.5
376.15274	26.1
377.15680	2.5
391.17566	100.0
392.17902	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.2
59.01249	100.0
60.01585	1.0
69.03341	1.1
69.53503	5.2
71.01255	17.2
71.04906	0.7
72.99127	0.8
73.02823	8.3
78.07103	0.6
83.01266	2.4
83.04888	0.7
85.02834	5.6
87.00739	1.2
89.02312	6.3
91.24277	0.5
95.01260	1.6
97.06467	11.9
99.00764	0.8
101.02326	11.0
105.28262	0.6
108.02068	0.6
108.09639	0.7
109.02814	1.0
109.06475	0.9
113.02320	7.8
119.03387	2.1
125.02353	0.7
127.07535	3.4
132.70078	0.6
135.04430	0.7
136.01482	0.9
137.02347	3.7
137.09607	0.6
139.00212	0.7
140.49890	0.6
143.03349	0.8
145.02866	3.3
147.04431	5.7
149.02388	0.6
151.03931	4.4
151.68495	0.6
152.04700	1.3
159.02985	0.8
159.04433	0.8
160.05138	0.7
161.02333	0.9
161.04445	5.1
161.05887	1.5
162.03090	1.0
163.03900	7.5
167.03407	0.8
167.10689	9.4
173.02356	2.0
173.06030	0.8
174.03133	6.7
175.03922	25.7
176.04688	9.1
177.05367	2.3
179.03459	1.1
180.04213	8.4
181.04895	0.6
185.11746	5.0
188.04697	4.4
189.05478	9.5
190.06279	20.8
191.03416	1.2
191.07063	18.9
192.04303	1.1
192.07448	0.7
193.04985	9.0
194.05782	5.3
203.07097	3.2
205.08632	16.6
206.08968	1.2
207.06581	6.2
208.07361	7.7
208.17766	0.6
223.09653	0.9
227.12791	1.0
243.16556	0.7
325.59286	0.7
329.16000	4.4
347.17142	6.1
348.17618	0.6
359.11087	1.2
374.13693	2.9
389.15945	31.6
389.25339	2.4
390.16309	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	389.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.8
57.03320	2.3
58.00468	0.7
59.01250	100.0
60.01581	1.0
61.93085	0.3
69.03339	1.6
69.74406	1.9
71.01254	14.9
71.04903	1.1
72.99194	0.7
73.02816	7.3
75.00735	0.4
82.93058	0.3
83.01250	2.6
83.04912	0.9
85.02822	5.4
87.00768	1.0
87.04392	0.6
89.02315	5.1
95.01289	1.1
95.04935	0.6
97.02870	0.6
97.06468	14.2
98.06783	0.4
99.00784	1.2
101.02323	10.3
109.06445	0.7
111.00765	0.4
112.92583	0.3
113.02328	6.9
113.03054	0.5
113.25136	0.3
115.07555	0.5
119.03389	2.3
123.08077	0.4
125.02356	0.5
125.09682	0.4
127.07536	3.9
136.93921	0.3
137.09686	0.9
141.05493	0.7
143.03398	0.7
144.26414	0.3
149.04445	0.5
149.09666	0.7
153.09184	0.4
155.10738	0.3
159.03003	0.7
161.04454	4.1
167.10692	11.8
168.11102	0.4
173.04518	0.4
179.05605	0.5
185.11751	5.2
186.12201	0.4
203.05608	0.4
209.11891	0.6
215.12877	0.6
227.07100	2.7
227.12979	0.5
329.16064	4.9
330.16544	0.4
347.17038	7.6
347.20895	0.6
348.17480	0.8
371.24454	1.0
389.18277	5.1
389.25616	9.6
389.30252	0.5
390.18591	0.5
390.25992	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53017	0.8
57.03308	1.5
59.01251	49.7
63.29618	0.8
69.17272	0.7
70.74297	0.7
71.01248	14.6
72.32548	0.8
73.02814	9.4
83.01235	2.9
85.02815	5.1
87.00718	1.1
89.01904	0.7
89.02318	8.0
93.03336	1.6
95.01235	1.2
96.95878	1.0
97.06459	0.9
99.00733	1.6
101.02322	11.3
106.97942	0.9
108.02040	1.1
109.02789	2.0
113.02324	8.0
117.03312	1.9
119.03366	2.6
119.04900	2.4
121.02853	7.3
122.03616	1.8
124.01512	1.2
125.02271	1.1
130.04109	0.9
131.03389	0.9
134.03564	1.4
135.04378	1.8
136.01492	1.4
137.01366	0.9
137.02354	9.2
138.03056	1.2
139.00206	2.8
139.03903	0.9
143.03362	1.4
145.02850	10.0
147.03284	1.2
147.04411	15.2
151.03920	11.2
152.04657	1.9
153.01788	3.1
153.05432	1.1
154.02634	2.0
158.03558	2.5
159.04337	1.5
160.05150	1.1
161.02303	2.3
161.04387	3.5
161.05934	2.5
162.03081	3.3
163.03914	23.8
164.04430	1.3
165.01759	3.1
165.05455	2.3
166.02615	1.3
166.06197	2.3
167.03368	2.7
167.07030	1.0
167.10619	2.4
168.04230	1.3
169.12201	1.1
173.02315	5.6
173.04529	1.2
173.05972	2.2
174.03154	17.7
175.03920	71.3
176.04689	23.3
177.05508	8.1
178.02740	1.1
179.03340	3.3
179.06984	1.9
180.04202	38.5
181.04732	2.9
184.03709	1.3
185.11710	2.6
188.04726	13.4
189.05489	28.5
190.06279	81.7
191.03386	2.4
191.07050	60.7
192.04128	3.4
192.07385	3.2
193.04990	37.7
194.05772	19.6
195.06187	1.5
203.07066	8.6
205.08638	55.3
206.05745	1.8
206.08951	4.0
207.04654	1.6
207.06540	24.0
208.07343	25.6
209.04445	1.4
209.07668	2.1
209.11682	3.2
222.08878	1.4
223.06119	1.0
223.09731	5.4
227.12601	1.3
283.85742	0.8
313.08136	1.1
329.10037	1.1
329.15961	3.5
344.12613	4.4
347.17316	6.0
359.14987	100.0
360.15393	11.5
374.13834	6.2
376.84302	0.9
389.15955	74.3
389.25406	10.5
390.16226	10.9
390.25650	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.5
59.01249	16.1
67.01780	0.4
69.53725	2.8
69.54124	0.9
71.01250	4.0
71.04880	0.4
73.02823	3.0
83.01265	1.2
83.04912	0.5
85.02812	1.6
89.02318	1.7
93.03317	1.0
94.60616	0.4
95.01274	0.4
97.06448	0.8
101.02324	3.2
109.02802	0.6
113.02314	1.7
119.03356	0.5
119.04889	1.3
121.02838	6.4
123.00790	0.4
123.04427	0.5
125.02312	0.4
131.04860	0.5
134.03574	0.7
135.04378	0.9
136.05196	0.8
137.02347	3.2
138.03091	0.5
139.00259	1.3
145.02861	4.2
147.04402	6.1
147.79120	0.4
149.05946	0.4
151.03891	0.7
152.04727	0.6
153.01817	1.0
154.02483	0.5
158.03673	1.1
159.04362	0.6
161.02328	0.5
161.04456	1.0
161.05980	1.1
162.03122	1.7
163.03915	11.4
164.04405	0.6
165.01855	1.8
165.05400	0.5
167.03366	1.2
167.04831	0.7
167.10686	1.1
168.04240	0.4
173.02359	2.5
173.05991	0.9
174.03131	7.4
175.03920	33.3
176.04688	10.2
177.05478	3.4
178.02707	0.5
179.03314	1.9
180.04195	13.7
180.05756	0.8
181.04704	0.9
185.11763	1.2
187.25166	0.5
188.04701	5.7
189.05489	12.8
190.06270	36.3
191.03441	1.2
191.07043	27.3
192.04129	1.5
192.07428	1.7
193.04982	17.0
194.05742	7.7
203.07036	3.9
205.08626	24.1
206.05743	0.7
206.08961	1.5
207.06554	8.3
208.07326	16.2
209.07727	1.0
209.11732	0.7
222.08942	1.3
223.09659	1.5
227.12996	0.4
314.11667	0.6
329.10318	0.6
344.12643	3.3
347.17010	2.7
359.14975	100.0
360.15329	11.1
389.13052	0.7
389.18091	3.0
389.25436	5.6
390.18607	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
70.88015	4.8
71.01236	11.4
71.13260	11.8
71.57788	4.3
74.89938	4.8
80.44064	5.7
85.14458	4.6
89.02338	9.7
90.74820	5.0
101.02314	6.0
113.02372	5.5
114.64697	5.3
116.91277	4.9
119.03410	10.2
119.11765	5.1
141.01564	6.7
164.93085	5.4
191.41798	4.7
275.88132	6.3
317.49701	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	388.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
70.17475	5.1
71.57739	8.0
72.00773	11.1
72.99136	5.6
77.56751	5.4
82.02859	13.1
82.81499	5.5
96.04441	22.0
96.95911	8.1
97.02821	7.1
98.02354	14.4
99.00735	6.4
109.03944	7.7
109.65965	4.7
122.06006	6.3
124.03911	6.7
124.07580	4.7
126.01838	6.0
127.05006	33.5
128.03403	100.0
136.03961	5.9
143.04495	24.1
144.02919	43.8
145.06100	36.1
146.04520	9.3
150.05533	10.4
161.05585	10.1
171.07654	10.9
211.07159	10.7
223.07164	6.4
241.08252	32.1
259.09332	72.3
272.08890	11.2
306.07767	14.8
352.11411	19.9
360.17786	5.8
365.96460	5.3
370.12640	42.2
388.13538	82.9
389.13760	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41873	0.6
57.03315	0.7
59.01249	26.7
60.99179	1.2
63.23406	0.5
67.01759	5.2
71.01250	9.2
71.04873	0.6
71.27946	1.4
73.02812	2.6
79.05399	1.2
81.03342	0.7
83.01282	1.4
83.04913	0.8
85.02821	9.2
87.00748	5.4
89.02300	3.1
93.03336	27.2
94.03675	0.9
95.01219	0.7
97.06458	1.9
99.00757	1.2
101.02310	3.5
107.04919	1.8
109.02845	1.2
111.04399	5.6
113.02309	2.8
115.07497	1.8
119.03360	1.1
127.03881	1.9
133.02798	1.0
134.03622	1.3
135.04410	31.8
136.04713	0.8
137.02312	2.0
142.48642	0.6
153.05453	0.9
155.03381	2.2
161.02319	2.4
161.04474	1.7
171.02785	0.7
173.04469	51.3
174.04796	1.8
179.03416	8.8
191.05533	100.0
192.05873	3.5
215.67592	0.6
329.16006	0.8
353.08755	31.1
354.09070	2.8
389.06476	3.7
389.18118	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	389.1454
Annotation	Reptoside
Peak:m/z	Relative Intensity
55.01763	2.9
55.41591	2.2
58.00462	2.2
59.01248	38.8
67.36909	2.3
69.50971	13.8
69.51386	3.4
71.00893	3.5
71.01255	45.9
72.99171	3.9
73.02823	14.8
75.69932	2.0
79.97952	2.2
83.01260	9.2
85.02823	30.1
87.00719	4.8
89.02300	22.1
95.01255	4.0
99.00739	4.8
101.02324	41.8
109.02827	3.3
113.02331	17.6
119.03376	8.2
135.04411	3.7
137.02330	45.8
138.03093	3.1
139.00279	2.4
152.04695	24.2
153.05414	4.3
161.04449	6.6
167.03358	2.3
167.07051	4.9
179.03401	8.4
184.03688	9.7
191.05400	3.6
193.04945	3.1
194.05745	7.1
209.08131	12.0
212.06868	39.7
227.09193	100.0
228.09439	5.2
389.14542	60.4
390.14691	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	387.1659
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01764	0.6
57.03326	0.5
58.00459	1.5
59.01249	86.4
60.01578	0.8
70.40305	0.4
70.72600	0.5
71.01251	22.2
71.57652	0.8
72.99156	2.3
73.02831	1.6
82.15884	0.4
83.01262	1.6
85.02824	5.7
87.00768	1.0
89.02312	18.4
95.01274	1.9
99.00742	0.8
101.02315	14.5
113.02329	8.8
119.03384	7.9
131.03397	0.6
143.03403	0.9
152.00897	0.5
161.04454	1.6
163.11191	5.5
164.11508	0.5
170.04660	0.4
173.04550	0.6
179.05560	0.8
180.61835	0.4
181.04971	1.1
191.05556	0.4
205.03773	0.4
207.10205	14.5
208.10590	0.6
336.66312	0.5
369.15311	0.6
387.16562	100.0
388.16879	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	387.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.3
57.03336	0.7
58.00471	1.8
59.01251	87.3
60.01588	1.3
69.84513	0.6
71.01255	20.7
71.34840	1.1
72.51019	0.6
72.99178	2.1
73.02818	1.5
73.69737	0.6
76.74250	0.6
83.01275	1.5
85.02817	6.0
87.00754	0.9
89.02319	22.2
93.03370	0.7
95.01270	1.7
99.00764	0.9
101.02316	15.2
103.85074	0.6
113.02332	9.8
119.03391	7.9
149.02458	0.7
161.04439	1.7
163.11189	5.9
173.04538	0.8
181.04980	0.7
191.05508	0.9
207.10193	14.4
208.03725	0.8
208.10518	1.2
223.06113	1.0
224.06291	0.8
225.06595	0.8
225.11292	0.8
387.16574	100.0
388.16919	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	387.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
61.18622	5.2
71.01238	7.5
89.02258	5.5
98.20551	17.8
135.52710	5.4
186.18367	5.9
195.96999	5.5
229.98628	5.5
253.21579	9.0
254.80376	5.8
375.25967	5.4
404.55573	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	387.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.9
59.01248	35.9
66.04686	1.1
69.03306	1.1
71.01252	21.8
71.58485	1.1
71.90598	1.2
72.99183	2.1
73.02814	4.1
75.00758	1.6
79.95630	1.1
83.01263	3.6
83.04870	1.1
84.02045	1.9
85.02804	3.6
87.00748	19.0
89.02296	4.3
92.80306	1.2
95.01217	1.5
99.00743	4.5
101.02318	4.3
110.37550	1.1
111.00751	4.9
113.02319	3.9
115.00253	63.3
119.03373	1.6
130.06557	1.2
139.00249	6.8
139.56322	1.1
142.06625	1.0
146.06015	16.6
149.06035	1.7
153.58975	1.3
156.04459	5.9
157.01350	10.6
161.04480	1.5
175.02397	100.0
176.02727	2.9
185.11629	1.5
191.05367	1.3
202.05017	6.5
211.13264	3.2
215.12802	4.0
223.13385	2.7
225.14870	4.0
241.14394	7.3
253.14522	1.7
255.15955	1.8
261.14938	5.6
262.10629	1.3
269.14005	9.7
270.82669	1.3
287.14941	9.7
289.07278	1.5
307.15573	7.6
325.16577	1.7
327.14520	6.7
327.21918	2.0
328.08286	3.7
346.09311	2.7
351.14380	2.2
369.22864	1.7
387.16165	2.7
387.23767	9.6
387.27737	2.3
388.10474	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	387.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	4.5
57.03313	4.4
57.55085	1.1
58.00457	4.3
59.01250	85.1
60.01570	1.7
60.41738	0.9
69.03306	1.9
71.01250	66.4
72.01590	1.4
72.99177	7.4
73.02822	19.2
75.00753	2.3
81.03318	3.8
83.01252	13.5
83.04893	100.0
84.05191	2.5
85.02812	23.5
87.00754	4.3
89.02321	25.5
95.01273	5.0
97.02862	1.5
97.06464	6.0
99.00764	10.1
101.02318	59.1
102.02650	1.9
113.02323	18.3
119.03388	13.2
123.04396	2.5
125.02418	1.3
125.05979	5.6
129.65123	1.2
135.04393	1.4
136.01599	1.4
137.09570	1.9
139.07564	2.3
149.05992	2.4
159.02945	2.3
161.04440	14.2
165.01831	4.5
171.10118	1.2
179.03421	3.8
180.04152	2.2
181.04922	3.6
181.08617	1.7
195.06491	5.3
207.02966	1.6
223.05826	1.1
225.11296	1.8
229.69281	1.1
241.52086	1.2
247.13341	4.2
265.14545	2.7
369.22742	1.4
387.16684	5.8
387.23938	15.6
388.24268	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1661
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01770	0.8
57.03327	1.3
58.00463	3.1
59.01250	19.9
71.01248	9.6
71.58450	1.2
72.99191	1.3
73.02822	6.8
83.01289	0.9
83.04881	0.9
84.02040	0.9
85.02827	5.4
86.03610	0.9
87.00774	2.1
87.04390	3.3
87.75252	0.8
89.02330	3.1
93.03335	1.3
95.04906	2.5
96.95868	1.4
98.07458	0.8
99.00795	0.8
99.04398	5.2
101.02345	6.9
109.02881	1.1
109.06429	1.1
113.02348	2.9
115.00261	9.1
125.02329	0.7
134.66418	0.8
139.00293	1.0
145.10225	0.8
151.03973	1.1
157.01370	1.6
163.11226	6.9
173.04401	1.0
175.02408	10.4
177.12846	1.3
181.12256	25.9
182.12576	1.8
183.10161	4.2
191.05521	0.9
195.13844	9.1
207.10184	2.6
215.12900	1.4
223.13336	2.5
225.11272	100.0
226.11652	7.2
239.12892	6.0
267.09692	1.4
267.12375	18.6
268.12729	1.0
276.49368	0.8
289.07230	1.4
297.13553	1.7
327.14410	11.9
327.21872	1.0
328.15030	1.3
355.09299	0.9
369.22559	0.9
387.16605	4.5
387.23965	10.7
388.16016	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1659
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
54.17089	0.8
54.84060	0.8
55.01748	3.9
55.35644	0.8
57.03324	4.3
58.00479	4.6
59.01249	100.0
60.01582	0.9
69.03324	1.0
69.50340	5.3
71.01251	87.6
72.01595	2.3
72.99171	5.2
73.02815	15.3
74.15252	0.8
74.78403	1.1
75.00730	1.1
81.03342	0.9
83.01263	6.9
83.04893	27.3
85.02820	26.3
87.00755	4.8
87.04382	0.9
89.02316	67.2
90.02618	1.2
95.01262	6.4
96.03020	0.9
98.19753	0.9
99.00739	6.4
101.02319	62.9
113.01521	1.3
113.02325	31.6
119.03391	32.2
125.02330	1.7
131.03389	2.4
143.03375	3.9
143.04430	0.9
149.04437	1.6
159.02859	4.1
161.04457	15.2
165.48972	1.0
171.43388	1.0
179.05475	2.5
181.93083	0.9
186.39548	0.8
217.44322	0.8
242.64651	1.0
244.54608	0.9
249.96358	0.8
255.12128	0.8
327.21799	1.3
343.17426	5.0
387.16556	10.0
387.24066	9.4
388.16983	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	387.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.5
59.01250	41.2
67.01739	1.4
68.99677	1.3
69.80700	7.9
71.01255	13.7
72.99185	3.2
73.02827	2.1
74.83810	1.2
75.00714	1.8
77.06365	1.6
83.01266	1.9
85.02816	7.9
87.00740	2.9
89.02319	13.8
90.07693	1.4
93.03332	8.1
95.01276	2.3
95.11597	1.1
97.02818	2.1
98.19771	1.5
99.00751	4.9
99.39873	1.2
101.02322	8.9
107.04911	2.3
109.02818	2.6
111.00739	6.6
111.04396	1.9
113.02347	6.8
119.03397	4.8
121.02824	2.3
121.05428	1.4
123.00793	2.7
123.04446	7.2
125.02329	6.6
127.03903	1.5
129.10187	1.3
133.02853	2.0
135.04401	2.3
137.02333	3.2
139.00275	5.5
140.01048	58.2
141.01833	100.0
142.02177	5.1
149.02371	3.1
151.03906	11.6
153.01881	4.6
155.03450	1.3
161.04433	2.1
163.11192	14.1
165.01888	1.5
165.98955	1.8
166.02609	1.2
173.04431	7.6
177.01834	3.1
182.02113	4.2
183.02908	2.4
191.05527	33.3
192.04237	3.2
192.05869	1.8
200.66554	1.3
202.43596	1.4
207.02948	7.6
207.06557	4.5
207.10219	1.6
208.03247	1.4
224.03207	16.3
225.04103	7.5
225.07643	2.6
303.07202	47.0
303.10599	2.7
304.07590	2.5
369.08224	4.4
387.09296	53.9
387.16595	51.6
387.20529	1.2
388.09619	4.7
388.17133	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	387.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07984	0.8
55.01753	1.0
57.03328	1.0
58.00451	1.9
59.01250	48.0
67.01753	0.9
69.46814	5.5
69.47231	2.1
71.01251	25.3
72.99178	2.9
73.02826	1.3
77.26987	0.8
78.90830	0.7
83.01254	1.8
85.02818	7.5
87.00764	1.7
89.02313	25.1
93.03333	4.3
95.01249	2.6
95.04903	1.9
97.37261	0.9
99.00773	1.5
101.02322	18.8
111.00776	1.2
111.04385	0.9
113.02324	10.7
119.03389	11.4
121.02827	2.3
123.04388	2.9
125.02325	2.9
133.02847	1.2
135.04471	1.1
137.02368	1.1
139.00206	1.7
140.01031	9.4
141.01811	16.8
143.03410	1.0
149.02336	4.0
151.03909	3.2
161.04459	1.0
163.11157	3.9
165.01877	0.9
173.04434	3.1
177.01842	39.9
177.32043	1.0
178.02435	2.4
179.03659	0.9
179.05428	1.0
181.04984	0.9
191.03830	1.5
191.05527	11.2
192.04214	48.5
193.04694	2.8
207.06555	100.0
208.06880	5.9
224.03099	1.9
225.03908	1.2
225.07648	2.6
239.05362	0.9
241.95932	0.9
292.47415	0.9
303.07281	4.7
372.52234	0.9
387.09250	6.8
387.16733	12.2
388.16476	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.223
Annotation	Oleandolide
Peak:m/z	Relative Intensity
57.03315	0.3
59.01246	4.1
71.01250	0.9
71.04896	0.3
80.11254	0.3
83.85065	0.3
89.02316	1.2
91.03886	2.9
97.06466	0.6
120.25795	0.3
121.02829	1.1
122.03613	1.2
125.02321	0.8
126.03114	0.8
136.05226	0.6
155.10532	0.3
158.42015	0.3
167.14305	3.8
168.04192	0.5
193.15941	1.3
207.17484	1.6
211.13348	0.4
221.18930	0.4
223.20628	1.9
231.17569	0.4
233.15553	0.6
247.17020	0.5
249.18532	7.7
250.18904	0.6
267.19626	100.0
268.19971	9.0
275.16489	12.0
276.16779	1.2
293.17560	67.0
294.17905	5.8
296.63226	0.3
297.88071	0.3
311.18597	13.8
312.18997	1.0
367.21182	8.2
368.21732	0.7
385.22272	57.5
386.22595	6.0
387.91687	0.3
391.87213	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2231
Annotation	Oleandolide
Peak:m/z	Relative Intensity
51.24909	0.6
52.00864	0.6
59.01251	7.9
71.01237	2.4
71.15847	0.9
71.16175	0.7
77.10079	0.6
85.02803	0.8
89.02320	1.6
91.03870	1.9
121.02836	2.1
122.03589	0.9
125.02316	0.7
126.03059	0.8
135.04532	0.8
153.09036	0.9
167.14330	2.9
169.12231	0.9
185.11739	0.9
193.04967	1.1
193.15865	1.0
207.17435	1.0
223.20630	2.5
249.18584	6.9
267.19641	100.0
268.19916	8.5
275.16486	13.5
276.16907	1.0
293.17578	74.8
294.17929	5.9
305.24905	1.0
311.18625	13.0
312.18927	1.0
323.25858	2.0
331.22946	0.8
339.25229	0.9
341.26923	6.0
349.23608	1.5
367.21173	8.0
367.25171	2.1
368.21652	0.9
385.22217	44.3
385.26147	25.4
386.22223	5.8
386.26450	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	385.2594
Annotation	6-Deoxyerythronolide B
Peak:m/z	Relative Intensity
51.87536	0.1
54.74832	0.1
57.03323	0.5
58.00468	0.6
59.01250	1.4
59.37868	0.1
67.46835	0.1
69.03318	0.1
70.45626	0.3
70.46009	0.4
71.01244	0.3
71.04893	0.8
73.02819	1.0
75.00745	0.2
81.03315	0.2
83.04908	0.3
85.02836	0.2
85.06468	0.2
87.04388	1.9
89.50258	0.1
89.64268	0.1
95.04896	0.2
97.06468	0.5
99.04395	0.2
101.98948	0.1
109.06497	0.1
113.02357	0.1
119.51563	0.1
121.02832	0.1
123.08025	0.3
125.09643	0.3
137.02296	0.2
137.09601	0.3
139.11186	1.2
141.09114	0.2
141.12679	0.8
150.03145	0.2
151.11166	0.4
153.12721	0.8
155.10788	0.2
155.14336	0.2
157.12251	1.7
163.11215	0.2
165.01791	0.2
165.12720	0.2
169.12257	3.4
170.12576	0.2
171.10211	0.3
179.03462	0.3
181.12306	0.3
183.13829	0.3
185.11740	3.3
194.05806	0.2
197.11821	0.3
213.11223	0.3
214.12042	0.2
215.12827	2.4
215.14697	0.2
216.13164	0.2
227.16441	0.2
287.23856	1.4
305.21695	0.1
305.24817	3.9
306.25168	0.5
321.24283	0.3
323.25882	6.2
324.26236	0.7
331.22781	1.1
332.23123	0.3
337.23816	0.2
339.25394	2.9
340.25748	0.4
341.26923	16.1
342.27203	2.1
349.23813	4.0
350.24280	0.4
367.24869	8.2
368.25244	1.1
383.24573	0.3
385.25931	100.0
386.26260	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	387.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90127	0.6
55.25693	0.5
57.03312	0.7
59.01254	5.5
62.30731	0.6
64.50865	0.6
71.01268	3.4
71.38755	0.5
73.02812	0.8
74.01120	0.6
85.02824	2.2
87.00775	0.9
88.35417	0.5
89.02327	2.8
93.03346	0.7
95.01260	1.5
97.02827	1.2
99.00748	5.9
101.02332	1.7
111.00777	2.6
113.02328	1.7
119.03383	1.2
120.22890	0.7
123.00775	6.4
125.02385	1.5
137.02332	1.8
139.00264	5.6
140.01059	15.9
141.01833	100.0
142.02176	2.9
147.92711	0.6
151.03923	0.8
153.01888	0.7
165.01848	2.3
166.99797	0.7
177.01872	2.5
182.02182	1.6
183.02890	5.2
191.05537	1.1
192.04146	4.2
207.02950	2.1
207.06567	10.4
223.02480	1.2
224.03149	4.3
225.03999	15.2
249.03880	1.0
267.05142	1.3
303.07187	14.0
312.59897	0.7
345.08322	1.3
387.09302	43.9
387.16980	1.9
388.09717	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	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	5.1
59.01252	20.6
70.65377	1.3
71.01248	10.9
71.18891	2.7
72.99176	13.4
73.02831	3.0
74.91718	1.6
75.00765	1.8
83.01269	4.0
83.04900	3.1
85.02821	2.8
87.00773	2.3
87.04405	1.9
89.02327	2.9
93.03319	2.0
93.50150	1.4
95.04877	2.0
96.95882	1.3
99.00742	11.7
101.02330	2.6
101.46893	1.5
111.00735	3.3
112.98688	21.7
113.02335	1.7
115.00243	3.6
117.01858	3.0
121.02818	2.1
135.02855	2.0
137.43527	1.8
142.99768	29.5
149.02351	1.7
153.09068	1.9
156.00545	4.5
171.00439	1.4
173.00822	17.5
173.04466	1.7
174.01617	100.0
175.02361	6.9
179.14334	2.9
183.13850	2.9
191.14346	1.5
195.13843	3.9
205.12268	6.1
207.13875	2.3
211.13326	28.1
212.13637	1.5
213.10245	4.4
223.13353	25.7
235.13438	2.6
237.11177	2.6
237.14996	2.6
245.11745	1.6
251.12878	3.1
259.13553	1.6
263.12894	9.2
266.13278	1.7
267.12375	26.1
279.12476	2.9
281.14044	2.2
285.13351	1.9
293.14038	2.1
307.11951	10.0
349.12820	3.3
367.14020	18.2
385.15009	7.1
385.22458	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	385.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76653	0.4
53.89769	0.4
55.01752	2.9
57.03318	3.6
58.00456	3.1
58.15302	0.4
59.01248	63.7
59.83426	0.4
60.01583	0.7
68.99677	0.6
69.03329	0.9
69.58186	3.5
71.01250	73.5
71.04880	0.5
72.01600	1.2
72.99172	3.4
73.02819	11.9
75.00751	0.6
75.50855	0.4
81.03289	0.5
83.01255	5.2
83.04893	1.2
84.02022	0.4
85.02819	22.2
86.03180	0.5
87.00754	3.0
89.02313	35.4
93.03337	0.5
95.01276	4.3
95.04900	2.6
97.02827	6.2
99.00754	4.5
101.02320	34.4
102.02657	0.7
105.06982	1.4
107.04893	1.2
108.05683	2.7
109.02830	0.7
109.06470	1.8
111.04408	1.7
111.08033	0.6
113.02322	26.5
113.05970	3.2
114.02682	0.6
119.03383	12.4
121.06467	1.2
122.03625	1.7
123.08037	4.1
125.02329	1.6
125.05968	3.5
129.01833	1.3
131.03391	1.4
135.08032	1.2
136.05206	3.4
137.06020	2.0
137.06987	0.4
138.06758	25.8
139.07579	9.1
140.07863	0.6
143.03389	2.5
147.08057	0.9
149.02327	1.4
149.04509	0.9
149.05975	0.8
151.07550	23.4
152.04794	2.2
152.08328	45.8
153.09109	100.0
154.09439	4.9
159.02876	4.2
161.04466	16.4
161.09583	0.8
162.04778	0.8
163.11163	3.7
164.04666	1.0
165.09068	2.2
167.07056	1.9
173.04442	0.6
175.00249	1.6
179.05508	2.6
179.06911	0.6
187.11143	1.0
189.09126	1.2
190.02644	4.5
190.09850	2.1
191.05513	1.4
205.03276	0.9
205.04993	6.1
205.12268	33.1
206.05472	0.6
206.12627	2.5
221.08070	0.6
223.06094	2.5
223.13333	15.3
224.13580	0.9
247.06104	0.6
265.07108	0.8
295.08237	0.8
318.48663	0.4
325.09152	1.1
385.18658	7.6
386.18997	1.1
391.93454	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.15
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	3.6
59.01243	18.7
68.74641	2.0
68.99683	3.8
71.01260	12.3
72.99174	11.5
73.02821	2.7
75.00780	2.9
82.86037	1.9
83.01247	4.3
83.04887	5.6
85.02808	2.7
87.00777	2.8
87.02535	2.0
91.95541	1.8
93.03349	1.9
97.66048	1.9
99.00784	13.5
101.02338	4.1
102.77231	2.0
107.92706	2.5
111.00788	2.3
112.98689	23.4
115.00258	4.8
117.01847	3.2
124.98663	3.8
137.02327	4.6
142.99770	34.3
156.00529	4.0
173.00844	13.2
174.01608	100.0
175.02278	6.3
183.13814	3.1
191.05534	2.5
195.13890	3.7
205.12309	5.9
211.13333	26.2
223.13348	22.1
225.15009	2.6
235.13304	2.5
237.11345	2.5
263.12894	8.7
267.12408	22.3
275.27789	1.9
285.13235	2.2
287.13013	5.7
307.11951	14.1
311.57297	1.9
323.14883	2.8
325.13025	4.8
337.13141	2.6
349.12857	4.2
357.69540	2.1
367.13861	28.3
368.13943	2.7
373.39182	2.5
385.15073	7.0
385.25916	7.2
391.05353	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	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.0
57.03321	0.9
58.00480	0.5
58.66104	0.2
59.01248	100.0
60.01585	0.9
60.60389	0.2
62.15194	0.2
69.03342	0.5
71.01251	18.4
72.99181	1.6
73.02819	6.4
73.03226	0.3
81.03316	0.4
83.01261	2.2
83.04892	6.7
85.02821	5.9
86.04990	0.3
87.00771	0.8
89.02316	8.7
93.03329	1.2
95.01291	0.9
96.95884	0.4
97.06493	0.3
99.00751	2.4
99.04397	0.5
101.02319	11.3
103.17682	0.3
112.98704	0.6
113.02329	7.4
119.03379	2.9
121.02838	0.5
125.02377	0.3
129.01888	0.3
131.03438	0.5
135.04489	0.4
137.02341	1.4
139.17854	0.2
141.01669	0.5
142.99782	0.6
143.03415	1.1
149.02402	0.7
149.04539	0.5
153.09128	0.7
155.03476	0.3
159.02928	1.1
161.04469	3.9
161.13348	0.7
164.04681	0.4
165.09187	0.4
166.05034	0.9
167.01685	0.3
173.00865	0.3
173.04471	0.5
174.01619	1.7
179.03401	0.3
179.05612	0.6
181.08606	0.3
182.04504	1.7
191.05595	1.9
192.99597	0.6
205.12270	3.5
211.13385	0.8
223.06137	0.7
223.13371	0.7
224.05487	0.3
236.05661	0.3
253.14355	0.4
254.09279	0.3
267.12415	0.5
326.07785	0.5
343.63159	0.2
367.14044	0.3
385.14880	0.9
385.22461	1.0
386.10822	1.6
386.15326	0.2
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	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01247	12.4
59.61089	1.9
69.92431	10.1
71.01245	8.8
72.99159	1.9
73.02832	2.0
85.02824	2.2
89.02309	3.0
93.03341	4.2
98.20518	3.2
99.08817	1.7
101.02334	4.4
111.04337	1.9
113.02309	2.6
115.72631	1.8
119.01263	2.6
119.04917	2.9
121.02821	7.6
123.04450	2.6
135.04416	4.7
137.02324	2.3
139.03905	3.4
149.01207	3.6
149.02344	50.0
152.01039	3.6
163.03891	6.3
164.04697	30.6
165.01785	3.8
165.04973	2.2
167.03284	2.0
173.04414	5.1
175.00267	13.3
179.07059	9.3
181.08614	2.8
190.02640	27.7
191.05557	16.3
193.01328	23.1
205.04990	42.7
206.05272	2.3
208.03712	36.1
209.04030	3.1
223.06070	100.0
224.06433	4.6
247.06047	2.8
385.11542	3.2
396.06454	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.114
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
59.01234	1.5
63.42542	0.5
71.01240	1.6
71.38269	0.9
75.97324	0.5
89.56454	0.4
92.55340	0.5
93.03339	2.1
121.02836	7.5
124.01550	0.6
134.03638	0.5
135.04422	3.6
137.02356	0.7
149.02339	43.7
150.02681	1.4
151.03903	0.6
152.01044	6.6
163.03902	6.8
164.04692	33.8
165.01834	2.4
165.05023	1.5
167.03394	1.4
169.04930	2.6
179.07057	9.4
180.07367	0.6
190.02583	0.6
191.05568	1.1
193.01350	21.4
194.01704	1.3
205.04980	1.7
206.81932	0.6
208.03699	39.6
209.04018	1.7
223.06056	100.0
224.06392	5.7
242.45242	0.5
248.21582	0.6
384.96994	0.5
385.11267	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	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01579	0.6
67.71062	0.4
69.35699	2.4
69.36127	1.9
71.01261	2.8
73.02816	1.0
83.01266	0.9
85.02836	1.5
89.02335	1.5
90.16255	0.5
93.03364	0.6
101.02313	2.3
113.02306	2.5
119.03389	0.5
121.02863	0.7
128.40697	0.5
181.05014	2.8
191.05574	1.6
262.63718	0.5
372.86996	0.6
385.22577	1.3
386.10690	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70168	1.9
54.58434	2.0
59.01237	16.3
67.01766	3.7
69.66326	13.0
71.01257	11.8
81.03344	6.5
83.04917	2.6
85.02825	10.7
87.00746	3.7
93.03333	22.2
95.04927	3.8
99.00758	2.6
105.03371	3.9
108.49210	1.9
109.02824	15.8
109.06483	2.6
111.04397	10.8
119.04945	12.2
121.02882	12.3
123.04398	23.4
127.03899	4.6
134.03609	4.4
135.04402	11.8
136.01540	2.4
137.02364	4.0
137.05981	26.6
139.03900	8.6
147.04442	2.1
149.02374	16.6
149.05984	79.2
149.07179	4.4
149.17932	2.1
150.06363	4.7
151.03867	16.4
155.03387	9.2
160.89192	2.2
165.01912	3.0
167.03394	7.8
167.07080	5.1
173.04472	44.4
179.03456	2.5
181.04973	37.6
182.62735	2.6
191.05534	100.0
192.05949	5.3
193.01373	8.5
193.05074	2.7
195.35997	2.1
195.38840	2.2
211.02499	8.6
211.06053	97.5
212.06381	6.3
217.39662	2.2
223.06088	3.7
279.52139	2.2
346.62756	2.3
355.10562	2.9
385.07193	3.9
385.11465	41.3
386.11636	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	383.2436
Annotation	Sinuflexibilin
Peak:m/z	Relative Intensity
50.12255	0.4
57.03305	0.9
57.19167	0.5
59.01253	7.1
71.01250	4.8
71.58704	0.7
72.67625	0.5
73.02815	1.9
74.98668	0.4
75.00748	0.5
83.01244	1.6
84.64167	0.5
85.02813	3.0
87.00758	0.7
87.04390	0.6
89.02301	2.5
95.01246	0.6
97.06450	1.2
101.02322	1.8
113.02319	2.5
119.03378	1.1
123.08043	1.6
125.09605	2.2
137.09630	1.6
139.11157	1.6
143.03323	0.7
151.11220	0.5
155.10767	0.7
161.04440	0.9
165.12735	1.8
171.10168	4.3
177.12790	0.7
179.05537	1.0
183.13799	0.7
185.11751	3.9
195.13939	0.7
199.13280	0.7
213.14868	0.6
214.12016	0.7
303.23386	1.6
321.24417	3.2
323.09918	1.0
337.24063	0.8
339.25394	7.1
340.25562	0.7
341.10849	1.2
342.97815	0.5
347.22217	1.6
365.23233	2.9
383.24377	100.0
384.24734	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.5
59.01254	1.5
60.99175	0.7
65.03841	0.6
65.78480	0.5
67.01756	2.8
69.03329	0.8
69.52191	1.0
69.52604	2.4
71.01248	2.3
72.99179	3.4
73.02821	0.6
81.03344	2.0
83.01301	0.5
83.04889	1.1
84.64326	0.4
85.02825	8.3
87.00755	6.6
93.03335	23.6
94.03676	0.7
95.01263	1.0
95.04900	2.2
97.02838	0.7
98.20946	0.5
99.00760	0.5
100.98698	0.7
105.03331	1.5
108.02029	0.7
109.02853	3.3
110.06171	0.4
111.04426	4.5
119.04910	0.5
121.02834	10.5
123.00767	1.6
123.04427	2.1
124.01559	1.2
125.02335	1.9
127.03852	2.8
129.01840	1.0
133.02786	0.5
135.04431	1.8
136.01563	1.8
137.02342	10.5
138.02872	0.6
139.03909	15.8
147.00766	0.7
148.01569	0.5
149.02342	23.2
150.02747	0.5
151.03897	1.3
153.01797	1.2
155.03397	1.3
164.04701	0.8
165.01825	4.4
165.02847	0.4
166.02502	0.5
167.03410	9.5
168.03712	0.7
171.02916	1.0
173.04469	19.5
174.04738	0.6
177.01871	0.6
179.03462	1.1
191.05537	100.0
192.05879	4.8
193.01347	28.0
194.01747	1.4
211.02440	5.0
223.04243	0.7
223.06281	2.2
247.04498	1.9
336.46707	0.5
367.06668	3.7
385.07693	18.2
385.12527	1.0
386.08020	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48171	1.1
59.01243	3.7
65.03848	1.3
67.01752	3.4
69.03336	2.6
71.01247	4.7
71.34596	1.6
72.99171	3.7
75.86277	1.0
81.03313	3.9
83.04873	2.1
85.02828	6.8
87.00745	6.3
93.03337	31.8
95.01246	2.7
95.04910	5.3
97.02789	3.2
105.03332	3.5
109.02817	4.4
111.04417	6.4
118.35818	1.1
121.02851	15.9
123.00734	6.3
123.04410	6.7
124.01539	2.9
125.02328	2.2
127.03912	1.8
129.01796	1.3
133.02827	2.2
134.03638	2.6
135.04437	7.1
137.02347	14.5
139.03906	15.6
149.02344	35.9
151.03856	1.6
153.01785	1.5
153.08946	1.4
155.03368	3.9
164.04639	3.8
165.01825	4.1
167.03406	26.1
173.04463	100.0
174.04803	2.9
178.02628	1.8
179.03409	4.3
179.07065	2.6
191.05534	57.6
192.05887	3.7
192.77051	1.1
193.01347	31.5
193.94057	1.1
208.03734	5.1
211.02435	16.0
212.22923	1.1
223.06047	16.5
260.34747	1.1
340.65704	1.4
367.06677	2.7
385.07437	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	383.1075
Annotation	TETRAZOLIUM VIOLET
Peak:m/z	Relative Intensity
50.64080	1.2
51.09710	1.1
59.01249	15.0
70.26995	5.3
71.01241	6.6
73.02814	2.3
85.02810	2.5
87.00755	2.2
87.92406	2.1
89.02309	3.5
92.91873	5.2
95.04913	1.5
98.19876	1.5
101.02311	4.5
103.91902	23.9
108.91365	3.4
113.02301	4.0
113.05954	1.6
122.89310	50.9
123.94501	1.8
125.90680	1.2
129.12340	1.3
141.09116	7.0
141.91161	3.8
148.90877	4.5
160.94516	1.8
161.04425	2.0
162.92410	1.6
175.22629	1.1
176.94019	1.4
184.94508	3.4
185.95328	2.2
204.93491	3.5
204.97163	3.2
223.10272	1.1
230.98744	3.3
231.02275	2.6
233.00340	27.3
234.00693	1.8
254.30385	1.3
256.96762	2.7
260.99826	2.8
262.00653	26.8
263.01184	1.9
275.01419	3.9
316.01736	5.8
323.09882	2.7
341.10895	3.8
346.02682	2.0
359.35419	1.4
383.10809	100.0
384.11139	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	383.0983
Annotation	Mandshurin
Peak:m/z	Relative Intensity
50.61662	0.2
52.00438	0.2
57.03324	0.3
59.01248	2.3
65.00158	1.4
69.79818	1.4
71.01242	0.7
78.00979	0.5
81.03312	0.4
83.01237	0.3
85.02815	0.4
89.02287	0.4
93.03324	0.7
98.20464	0.4
101.02306	0.5
105.03329	0.7
105.60892	0.3
109.02830	0.7
111.00698	0.3
113.02304	0.3
114.05439	0.3
121.02847	0.4
123.00774	0.2
123.33314	0.2
133.02837	0.9
135.00774	0.9
135.04404	1.9
136.98694	3.1
137.02356	0.5
138.03146	0.6
149.02357	1.0
150.03104	0.9
161.02405	0.4
162.03136	5.4
163.00294	0.9
164.98221	0.7
173.04457	0.8
175.03902	0.4
177.01842	32.4
178.02200	1.4
179.03424	2.0
189.91920	0.2
190.02597	0.5
190.99695	0.4
191.03421	1.3
191.05518	0.9
193.75989	0.2
203.03456	1.0
205.01358	76.3
206.02116	56.3
207.02734	5.4
218.02097	0.3
219.02936	1.1
220.03700	0.7
221.04494	100.0
222.04829	5.8
228.04234	0.3
230.02151	0.7
231.02924	0.4
233.04518	0.3
245.04527	0.7
248.03024	0.2
263.05658	1.0
368.07498	8.1
368.12149	0.5
369.07867	0.6
383.09805	15.1
384.10150	1.3
403.12830	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0772
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
59.01250	9.0
61.98695	0.9
68.99673	1.3
71.01254	2.8
71.26749	1.3
85.02806	0.9
86.21436	0.7
87.00766	0.8
89.02308	1.9
101.02339	1.3
113.02341	1.9
119.03439	0.7
119.04960	1.0
121.02840	100.0
122.03157	3.8
132.31979	0.7
145.02808	0.9
147.04385	1.6
149.02411	2.3
161.04433	1.3
163.03946	0.7
163.11136	0.6
171.04335	0.7
179.05565	0.7
180.05705	0.8
181.06503	3.4
186.79439	0.6
191.03427	8.2
219.97443	0.8
225.05487	6.8
251.07114	3.7
295.06100	10.1
296.06348	1.1
309.20633	0.9
311.09244	14.5
312.09488	2.0
313.07175	17.8
314.07468	1.1
323.09698	1.4
339.08716	13.9
340.09039	1.1
341.10941	2.1
383.07687	22.8
384.08105	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0769
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
50.66073	0.5
51.85572	0.5
59.00984	0.7
59.01248	8.0
61.01675	0.7
61.07981	0.5
65.00207	0.8
71.01249	2.1
73.02817	0.6
83.01247	0.7
85.02827	0.5
87.00755	0.7
89.02313	2.0
93.03316	1.1
98.19835	1.5
101.02336	1.0
103.03891	2.0
107.01268	1.0
109.02840	1.2
113.02334	1.2
123.00828	0.6
131.01350	0.6
135.04425	0.8
138.03085	0.6
138.05521	0.7
145.02861	0.6
147.04419	1.5
149.02438	0.6
149.04469	6.2
151.00270	4.4
157.02850	3.6
165.01807	0.6
165.05461	1.4
169.06538	0.8
173.02328	0.9
173.04469	1.1
175.00317	1.3
175.03960	2.1
177.01781	0.5
179.03403	1.3
179.07022	1.7
181.06483	1.4
183.04443	1.0
185.02367	1.0
185.30882	0.5
187.00317	0.6
191.05420	1.7
197.05994	2.2
200.01178	0.8
207.04376	0.8
208.05070	0.7
209.06041	3.7
211.03941	0.9
213.01897	0.8
214.99809	0.8
224.04753	1.2
225.05550	9.3
226.05830	0.8
227.03325	0.6
228.00583	2.3
229.01369	19.2
230.01717	1.5
235.03981	4.2
236.04585	1.2
237.05493	6.3
238.05855	0.7
239.03491	2.2
242.99313	0.8
244.00061	5.2
251.03487	0.7
252.04326	0.8
253.05035	20.3
253.07684	1.2
254.05463	2.2
255.03073	1.1
263.03491	9.5
264.04221	5.2
265.05023	9.5
266.05478	0.8
267.02997	1.7
269.04575	0.7
270.05261	1.4
278.05817	0.7
279.03381	0.6
279.06619	2.0
280.03717	3.4
280.07193	1.5
281.04547	68.2
282.05109	8.3
283.05869	0.8
291.03012	1.5
292.03711	2.4
293.04599	6.0
293.07944	0.9
294.04803	0.7
295.02847	0.8
295.06152	2.6
296.06876	26.9
297.07510	6.8
299.05609	0.9
306.05249	0.6
307.02783	0.5
307.06168	1.4
308.03265	1.4
309.04022	12.0
310.04352	0.8
311.09225	19.4
312.09515	1.7
323.05551	1.7
324.06375	7.5
325.06860	0.7
328.92203	0.6
329.10303	2.2
335.01965	1.8
339.08704	34.3
340.09064	3.5
352.05963	0.6
353.02997	1.5
355.08313	1.6
367.04465	1.4
368.05258	4.2
383.07703	100.0
384.08044	9.8
389.77054	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
59.36677	0.4
60.01579	0.9
62.94649	0.4
78.72028	0.4
98.19750	1.2
112.11781	0.4
161.02444	0.5
222.70233	0.4
326.76071	0.4
358.21594	0.4
363.96759	0.4
393.49570	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06922	1.3
55.01749	6.0
57.03307	3.4
59.01250	73.6
60.37243	1.4
68.29890	1.6
69.03339	2.2
71.01254	66.5
72.99195	2.4
73.02812	31.1
75.00744	1.8
83.01266	13.3
84.76086	1.7
85.02819	36.4
85.03337	1.9
85.99940	1.6
87.00728	5.0
87.08014	2.5
89.02324	11.3
95.01261	4.3
97.02843	3.1
98.19818	3.0
99.00759	14.0
101.02318	71.2
101.31806	1.6
113.02316	25.3
125.02315	2.6
129.01826	1.9
131.03372	2.0
138.05519	1.7
143.03366	1.8
149.04398	3.2
159.02890	3.4
161.04440	17.9
191.05519	3.5
199.09758	1.5
203.82492	1.7
219.11305	2.3
249.13393	100.0
250.13742	4.2
381.17590	84.8
382.18088	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	381.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	6.0
69.95394	2.7
71.01240	0.5
71.04881	0.7
83.71156	0.4
90.86637	0.4
94.05305	0.5
98.19862	0.6
127.11165	0.7
127.33121	0.4
151.11220	1.1
152.99484	1.0
153.12746	3.5
163.11226	1.4
165.12785	4.0
170.05762	3.3
174.99171	0.9
179.10684	12.1
180.11044	0.7
181.12262	35.7
182.12578	2.5
195.10126	2.2
197.11757	1.0
199.13321	100.0
200.13673	5.5
215.12823	3.9
217.00266	4.7
304.39557	0.5
363.25409	4.7
364.25784	0.5
381.10986	1.1
381.26498	4.5
382.26743	0.8
393.11264	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53564	0.3
55.27646	0.4
59.01247	6.1
64.27139	0.3
69.78406	0.7
69.78817	1.9
78.95792	0.7
80.80806	0.4
101.02318	0.4
102.90074	0.4
109.06501	0.7
111.08069	0.4
134.55037	0.4
137.06017	0.6
138.06743	0.5
139.07545	0.4
149.06027	0.7
151.07582	1.4
152.53471	0.4
152.99533	1.6
164.08276	0.5
170.05772	3.9
174.99146	1.2
192.11476	0.6
199.13368	0.7
217.00218	7.0
233.19089	2.0
235.20628	1.8
251.20067	3.1
259.17062	0.5
261.18356	0.5
272.41870	0.4
277.18069	78.7
278.18433	6.0
279.19632	24.6
280.19998	2.2
295.19122	100.0
296.19464	8.2
306.18375	0.4
310.85291	0.4
363.25378	17.1
364.25790	2.1
381.26413	5.7
382.26587	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01578	1.1
61.44149	0.6
69.84737	3.2
71.01260	2.4
84.41096	0.6
85.02836	1.5
101.02341	1.7
112.19746	0.8
117.85950	0.7
180.74039	0.7
191.05574	1.7
193.11371	0.7
225.03722	0.7
235.11842	1.3
279.14520	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	3.8
57.03313	3.0
58.00458	1.3
59.01247	44.8
71.01250	39.7
71.04892	0.9
72.01603	0.9
72.99184	2.6
73.00521	0.8
73.02820	18.0
74.03158	0.8
82.48431	0.8
82.84439	0.8
83.01255	15.5
83.48658	0.8
85.02821	22.0
85.99959	1.1
87.00759	2.8
89.02325	4.7
93.03316	0.8
93.64370	0.8
95.01263	2.4
97.02855	0.8
99.00736	8.1
101.02320	48.8
102.02641	1.0
103.03870	1.5
113.02339	12.8
119.03399	1.6
125.02345	2.8
129.01805	1.1
136.03954	1.7
143.03387	2.2
145.04927	1.0
147.87315	0.8
159.02864	3.2
161.04439	15.8
163.03867	1.6
163.05989	1.1
173.04523	1.5
177.01836	2.3
189.01831	2.3
191.05554	6.0
196.55408	0.7
205.03441	1.2
207.02904	0.8
235.11819	100.0
236.12166	4.2
256.97083	0.9
279.10846	2.1
281.59027	0.9
303.17267	0.9
357.42407	0.8
381.12747	1.2
381.17633	23.7
382.17914	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	379.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.8
59.01248	100.0
60.01570	0.8
69.28667	3.5
69.29092	2.5
71.01264	2.0
82.50730	0.5
83.01283	0.5
85.02817	0.9
89.02332	1.0
92.80470	0.6
95.01283	0.7
96.95906	0.7
99.00793	0.6
101.02324	1.4
105.23733	0.5
113.02363	2.1
122.89321	1.0
132.17386	0.6
148.90919	1.2
149.04471	1.1
157.00040	0.6
159.11742	1.5
190.91989	0.7
203.10733	1.8
216.92442	0.5
227.46118	0.6
235.17082	0.7
247.09747	2.4
335.38184	0.6
379.06372	2.3
379.21408	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01595	1.2
70.92580	0.8
71.01250	1.0
86.83679	0.3
89.02298	0.5
108.09156	0.5
110.79094	0.4
111.78753	0.4
119.29547	0.4
137.06102	0.5
157.29597	0.4
174.14461	0.4
180.94101	0.4
203.10992	0.4
235.86523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.4
57.65958	0.3
59.01249	5.1
59.98389	1.8
69.03322	0.6
70.12937	1.6
71.01249	2.0
73.02818	1.6
78.95765	0.3
81.06966	1.5
83.04908	0.4
85.02814	1.3
87.00741	0.8
89.02311	1.7
93.03337	0.8
93.06953	1.0
99.04394	16.0
101.02315	0.9
111.04385	1.6
113.02373	0.8
131.03381	1.5
133.31648	0.4
135.04366	0.6
149.04466	9.7
149.05930	1.2
150.04808	0.4
150.06741	3.2
161.02426	0.5
161.13258	11.0
162.13542	0.8
173.04439	1.0
179.03349	0.4
187.11205	3.5
205.12267	25.1
206.12602	1.6
231.10234	1.2
249.11285	100.0
250.09209	0.7
250.11629	7.6
381.15509	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.161
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.51596	1.0
54.04046	1.2
55.01757	1.9
57.03319	2.4
58.00459	3.0
59.01252	100.0
67.67159	1.1
70.27529	1.2
71.01254	52.4
71.34939	1.3
72.99185	2.9
73.02816	14.8
75.00735	1.3
80.44729	1.1
83.01245	3.4
85.02814	8.8
87.00759	3.4
89.02320	79.2
93.03338	1.4
94.42136	1.3
95.01261	2.3
97.02819	1.7
99.00761	17.1
101.02325	35.4
113.02328	13.0
119.03416	14.5
120.29037	1.2
125.02317	5.1
125.30344	1.3
131.03386	13.5
143.03392	2.2
149.03278	2.2
149.04469	36.5
150.04747	1.8
161.04466	4.1
173.04514	1.4
179.05525	7.6
191.05559	12.3
193.85217	1.3
217.10811	1.7
247.11871	5.9
251.07750	2.3
293.09177	1.6
358.26840	1.5
379.16086	26.5
380.16476	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	379.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.8
59.01248	100.0
60.01570	0.8
69.28667	3.5
69.29092	2.5
71.01264	2.0
82.50730	0.5
83.01283	0.5
85.02817	0.9
89.02332	1.0
92.80470	0.6
95.01283	0.7
96.95906	0.7
99.00793	0.6
101.02324	1.4
105.23733	0.5
113.02363	2.1
122.89321	1.0
132.17386	0.6
148.90919	1.2
149.04471	1.1
157.00040	0.6
159.11742	1.5
190.91989	0.7
203.10733	1.8
216.92442	0.5
227.46118	0.6
235.17082	0.7
247.09747	2.4
335.38184	0.6
379.06372	2.3
379.21408	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01732	0.5
57.03307	1.4
58.00453	1.2
59.01251	25.1
65.75266	0.4
68.55010	0.5
70.91805	1.1
71.01252	14.2
71.62479	0.5
71.73746	0.4
72.01561	0.5
72.99174	1.5
73.02807	1.8
75.00731	1.0
80.75677	0.5
82.14822	0.4
83.01255	1.1
85.02824	4.2
87.00753	2.1
89.02314	10.8
93.03287	0.5
95.01248	1.3
97.13008	0.4
101.02324	7.5
106.80151	0.4
109.45000	0.5
113.02348	5.1
119.03376	2.5
125.02290	0.6
125.09613	0.8
127.11166	1.6
137.09657	3.3
139.11143	0.8
139.80174	0.5
153.09138	0.6
155.10680	35.9
156.11014	1.9
171.10178	28.2
172.10446	1.4
173.11710	3.9
173.14070	0.5
185.11803	1.2
188.03452	0.9
191.03537	0.9
191.05496	2.3
195.10115	0.5
199.09674	10.3
200.09964	0.7
201.11259	3.0
213.11273	7.1
214.11649	0.5
215.12732	0.6
217.10750	57.1
218.11093	3.3
223.09744	0.8
241.10791	0.9
259.11835	8.8
270.06683	0.7
285.08789	2.8
317.11163	0.6
335.17114	0.8
361.15063	0.9
379.16055	100.0
380.16367	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	379.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
61.11761	1.0
63.59653	1.0
64.14429	1.1
71.01239	2.8
71.15822	2.4
71.67272	1.0
72.55674	1.0
73.02808	2.5
79.80925	1.2
81.50317	1.1
89.02299	1.0
96.95889	5.1
99.95674	1.2
101.02323	2.4
104.74992	1.0
113.02325	1.3
115.29287	1.1
119.83721	0.9
129.05426	1.8
135.04408	20.2
159.49341	1.1
175.81943	1.1
179.03409	3.3
262.36908	1.2
298.25568	1.1
341.08636	3.1
357.30380	1.1
379.06943	1.6
379.16299	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21214	0.8
59.01249	100.0
63.69976	0.8
65.02015	0.7
71.01234	2.3
71.58294	1.1
73.02799	4.3
88.21667	0.8
89.02271	1.2
101.01576	0.7
101.02309	3.1
107.68859	0.9
119.68755	1.0
120.66547	0.9
135.04410	17.4
136.04739	1.2
179.03424	1.0
187.38368	0.9
232.33023	0.9
260.28094	0.9
282.64487	0.9
285.61389	1.0
297.09711	0.9
341.08923	1.9
379.15582	0.8
396.60815	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.153
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66019	1.6
59.01242	14.2
61.98701	100.0
71.01239	5.7
71.58413	2.9
95.35906	1.7
96.95810	2.0
99.34426	1.4
101.97952	6.4
106.40619	2.1
142.03252	1.5
177.09131	1.7
192.11415	4.9
201.30049	1.6
205.12241	2.8
208.67943	1.8
212.56705	1.6
217.00331	2.9
219.97749	3.7
220.14613	34.0
221.15390	59.1
222.15727	5.5
226.79951	1.7
236.10484	46.6
237.10878	3.4
275.16498	5.4
293.17517	13.6
305.12524	4.2
306.13211	1.9
360.14148	6.2
378.15302	45.0
379.15582	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	377.1606
Annotation	CHEBI:69672
Peak:m/z	Relative Intensity
55.52478	0.8
56.60582	0.9
59.01250	15.4
61.33344	0.8
69.03307	1.2
71.01252	9.3
73.02824	4.2
75.65237	0.9
83.01234	1.2
85.02811	4.6
87.00737	1.8
89.02278	2.8
91.14802	0.9
93.03309	2.4
95.01227	1.8
95.75591	0.9
96.26640	0.8
99.00752	1.3
101.02292	4.7
101.05946	1.8
108.02042	1.2
109.02838	12.0
113.02289	3.3
115.07481	1.1
117.03344	1.1
119.04870	1.6
121.02798	3.2
122.03558	3.2
123.00702	3.3
123.04349	2.6
124.01543	6.5
125.02342	11.5
135.04349	3.6
137.02336	100.0
138.03149	18.9
139.03857	2.1
140.00908	1.3
145.02791	2.1
147.04384	1.8
149.04504	1.4
149.05876	1.2
150.03177	1.7
151.03883	11.2
152.04562	2.9
153.01740	2.8
154.02592	1.7
155.10585	1.1
157.08546	1.2
159.04399	1.8
161.05927	2.7
162.03075	1.3
163.03908	7.0
164.04588	2.4
165.05481	5.5
166.02579	1.2
170.02058	2.2
171.10136	1.0
173.04425	1.7
173.05954	1.6
173.10448	1.3
173.11754	15.5
175.07449	1.1
177.05475	5.3
178.06253	1.0
179.03391	0.9
179.07018	1.5
180.04063	2.5
181.04984	29.0
182.05516	1.1
187.13425	1.0
189.05339	1.1
191.05464	3.7
191.07007	2.0
193.04897	1.5
194.05725	1.6
195.06544	16.6
196.06882	1.2
207.06569	1.7
208.07341	1.6
209.07924	1.4
215.03307	1.0
215.12851	1.0
223.09502	1.6
225.07460	1.7
229.82487	1.2
245.13911	1.5
301.10776	1.8
301.14221	1.6
313.10513	1.4
314.11502	2.4
315.12177	2.2
317.10187	1.2
317.16089	19.0
317.19482	2.2
329.13834	1.7
331.11890	7.3
332.12170	1.3
335.17075	17.3
341.10571	1.7
345.13339	1.3
347.11060	2.6
359.14975	1.1
359.20215	1.0
362.13699	48.7
363.14221	4.6
377.15854	92.1
378.16327	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	377.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01189	22.8
59.01520	1.9
61.98657	1.0
65.04301	0.6
69.03280	0.8
69.92501	2.8
71.01224	1.0
87.61319	0.6
88.21318	0.8
89.02253	0.9
95.04857	1.1
96.41013	0.7
99.92371	0.9
112.95191	0.7
117.00230	0.9
125.09547	1.6
151.11093	1.5
159.01378	0.7
171.10175	33.7
172.10493	1.2
183.10147	0.9
191.06735	1.0
209.07779	1.5
249.22116	2.0
249.26399	0.8
260.55771	0.7
277.21716	40.9
278.22098	4.5
295.22766	100.0
296.23138	8.9
299.19717	0.8
317.20956	30.7
318.21283	3.5
326.15253	0.7
335.20706	2.3
341.10919	0.8
361.20010	5.4
377.22733	25.4
378.22772	2.7
398.03561	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	42.0
69.99187	37.4
71.01261	16.5
89.02310	36.2
101.02277	10.0
135.04440	15.0
158.65044	7.1
179.05531	21.3
309.80478	8.4
341.10907	100.0
377.08353	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1606
Annotation	CHEBI:69672
Peak:m/z	Relative Intensity
55.52478	0.8
56.60582	0.9
59.01250	15.4
61.33344	0.8
69.03307	1.2
71.01252	9.3
73.02824	4.2
75.65237	0.9
83.01234	1.2
85.02811	4.6
87.00737	1.8
89.02278	2.8
91.14802	0.9
93.03309	2.4
95.01227	1.8
95.75591	0.9
96.26640	0.8
99.00752	1.3
101.02292	4.7
101.05946	1.8
108.02042	1.2
109.02838	12.0
113.02289	3.3
115.07481	1.1
117.03344	1.1
119.04870	1.6
121.02798	3.2
122.03558	3.2
123.00702	3.3
123.04349	2.6
124.01543	6.5
125.02342	11.5
135.04349	3.6
137.02336	100.0
138.03149	18.9
139.03857	2.1
140.00908	1.3
145.02791	2.1
147.04384	1.8
149.04504	1.4
149.05876	1.2
150.03177	1.7
151.03883	11.2
152.04562	2.9
153.01740	2.8
154.02592	1.7
155.10585	1.1
157.08546	1.2
159.04399	1.8
161.05927	2.7
162.03075	1.3
163.03908	7.0
164.04588	2.4
165.05481	5.5
166.02579	1.2
170.02058	2.2
171.10136	1.0
173.04425	1.7
173.05954	1.6
173.10448	1.3
173.11754	15.5
175.07449	1.1
177.05475	5.3
178.06253	1.0
179.03391	0.9
179.07018	1.5
180.04063	2.5
181.04984	29.0
182.05516	1.1
187.13425	1.0
189.05339	1.1
191.05464	3.7
191.07007	2.0
193.04897	1.5
194.05725	1.6
195.06544	16.6
196.06882	1.2
207.06569	1.7
208.07341	1.6
209.07924	1.4
215.03307	1.0
215.12851	1.0
223.09502	1.6
225.07460	1.7
229.82487	1.2
245.13911	1.5
301.10776	1.8
301.14221	1.6
313.10513	1.4
314.11502	2.4
315.12177	2.2
317.10187	1.2
317.16089	19.0
317.19482	2.2
329.13834	1.7
331.11890	7.3
332.12170	1.3
335.17075	17.3
341.10571	1.7
345.13339	1.3
347.11060	2.6
359.14975	1.1
359.20215	1.0
362.13699	48.7
363.14221	4.6
377.15854	92.1
378.16327	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	375.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55717	0.1
57.03322	2.0
58.00461	0.3
59.01237	1.3
66.86728	0.1
69.03303	0.4
69.28532	0.8
69.28968	0.7
71.01259	0.2
71.04882	0.3
73.02811	0.5
74.31648	0.1
74.35240	0.1
83.04896	0.2
85.02848	0.3
87.04380	1.0
97.06468	0.7
98.20493	0.3
99.08015	0.1
109.06443	0.8
111.08027	0.2
113.09589	0.3
123.08047	1.2
124.47852	0.1
125.09615	0.3
125.94488	0.2
135.08031	0.5
137.09619	0.3
138.06793	0.2
139.11197	0.8
141.09177	0.4
141.12753	0.8
143.10660	0.2
153.09122	0.6
157.12256	1.7
169.12276	1.5
171.10150	0.4
173.04532	0.2
185.11749	2.7
187.13310	0.2
215.12804	1.6
216.13264	0.1
217.00313	0.2
251.20091	0.3
273.25684	0.1
287.22305	0.2
293.21143	0.3
309.23984	0.2
311.22241	0.6
327.21820	0.4
327.25357	0.3
328.26785	0.1
329.23306	2.7
330.23465	0.3
339.25403	0.8
341.23315	0.2
355.24850	0.2
357.26419	3.0
358.26892	0.3
373.25912	2.9
374.25909	0.3
375.27466	100.0
376.27811	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	375.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00458	2.1
59.01249	49.7
69.51646	5.8
71.01249	23.7
72.99191	1.3
73.02810	1.3
74.84042	0.8
83.01276	1.4
85.02813	5.9
87.00735	0.8
89.02314	17.2
95.01283	1.6
98.20518	1.5
101.02309	14.0
113.02316	8.0
117.94062	0.7
119.03387	6.6
120.50805	0.7
185.40678	0.9
195.13814	7.3
196.14294	1.1
202.17155	0.9
213.14856	3.0
249.92279	0.8
303.15530	0.9
375.20209	100.0
376.20587	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	375.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.4
57.03328	0.4
59.01249	100.0
60.01588	1.2
60.38830	0.2
65.63552	0.2
69.03316	0.2
71.01254	3.9
71.57854	0.2
71.58271	0.4
72.99184	0.3
73.02812	1.8
81.38893	0.2
83.01273	0.8
85.02818	2.2
85.03192	0.2
87.00766	0.5
89.02325	0.7
93.03355	0.7
95.01276	0.4
97.02842	0.3
99.00768	0.6
101.02325	2.9
103.38290	0.2
113.02309	1.2
119.03369	0.3
135.04411	0.3
137.02379	0.2
143.03456	0.3
161.04465	1.1
171.13809	0.2
173.04495	1.2
190.25223	0.2
191.05516	0.9
201.11281	0.4
243.12427	0.7
315.18173	0.5
333.19205	2.9
334.19513	0.3
375.07022	0.3
375.16370	0.4
375.20377	0.4
375.27637	3.0
376.27838	0.3
376.73969	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06905	1.0
59.01247	53.6
62.49266	1.1
63.08557	0.9
69.03328	1.3
69.93111	5.7
78.95805	0.9
90.34311	1.0
95.04896	4.5
96.07632	1.1
109.06475	1.5
121.10116	31.7
122.10428	1.6
125.09650	1.4
127.32679	0.8
149.09602	2.2
159.01387	1.1
171.10168	61.1
172.10515	3.2
174.99207	2.8
177.16463	1.3
183.13844	1.2
185.11780	2.4
187.30309	1.1
207.09956	2.8
209.07901	1.2
213.06041	1.2
217.00203	10.3
231.21136	6.0
253.09224	2.6
269.02365	0.9
275.20132	100.0
276.20471	6.6
278.11316	9.6
279.11612	1.1
293.21194	85.3
294.21545	8.0
315.19363	41.5
316.19803	4.5
329.17392	1.4
359.14481	1.2
359.18414	6.8
375.21106	37.1
376.21375	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	375.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01591	1.1
61.87577	0.4
62.09670	0.4
64.95907	0.4
71.01263	2.8
71.35302	0.6
73.02806	0.7
85.02833	0.8
89.02312	0.6
93.81261	0.4
99.00740	0.9
101.02329	1.3
113.02367	1.5
135.42885	0.4
161.04440	2.5
211.13365	0.9
217.00488	0.8
291.25131	0.4
306.70709	0.4
315.18216	0.9
375.27481	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04676	0.7
59.01248	100.0
70.07763	0.9
71.01255	2.0
71.38435	1.4
73.02815	0.9
75.67178	0.8
76.83706	0.8
78.70588	0.8
85.02833	0.8
85.13373	0.8
89.41138	0.7
95.34755	0.8
101.02328	1.4
113.02354	0.9
115.40012	0.7
150.47432	0.8
161.04465	2.1
178.51147	0.9
198.53497	0.8
217.00179	4.0
220.42030	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01578	1.2
62.95114	0.6
69.37956	5.0
71.01257	2.2
72.35829	0.5
85.02814	1.0
85.60390	0.5
89.02319	3.5
101.02328	1.3
102.91589	0.5
113.02370	1.1
119.03358	1.1
135.04439	0.9
147.88989	0.5
174.44133	0.6
174.99155	3.9
179.05737	0.6
201.02354	0.7
211.41641	0.6
217.00246	14.9
218.00601	0.9
225.05612	2.0
243.15996	0.6
259.05655	0.6
374.99329	0.7
375.06982	1.2
375.27243	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	5.2
66.94764	3.7
71.57719	4.3
76.94566	3.3
127.59568	3.3
128.90947	3.9
156.74966	3.6
159.08354	9.9
275.13046	3.2
289.07568	3.8
291.09082	89.7
292.09274	7.7
298.20822	3.3
309.09918	3.4
359.15305	100.0
359.38104	3.8
360.15500	19.9
375.18384	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	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.8
71.20732	0.8
74.98957	1.9
75.96100	0.5
78.87913	0.5
88.18937	0.5
91.02071	0.5
92.99982	1.0
114.35869	0.5
119.95878	0.8
133.55219	0.5
149.00868	0.7
159.08345	8.5
161.06265	3.4
209.01199	2.0
217.07124	1.5
275.06143	1.0
277.07541	2.1
289.07550	1.8
291.09085	99.4
292.09235	14.0
309.10202	2.9
357.13721	2.0
359.15329	100.0
360.15515	17.4
375.18408	6.9
376.18912	1.2
377.16425	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	375.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94698	1.5
55.26421	1.5
63.26371	1.6
67.43228	2.1
67.82547	1.6
70.02847	6.1
70.97836	2.1
70.98174	3.7
71.01264	3.4
71.02387	2.0
72.00774	20.5
72.99186	2.7
73.02827	2.9
80.04983	1.4
82.02856	5.7
84.04434	2.1
85.02836	2.3
86.02364	2.7
93.45762	1.4
94.02867	3.7
96.00801	6.4
96.04427	11.0
96.95901	2.2
97.02805	3.2
97.03935	2.6
98.02349	9.3
99.00768	5.1
100.03920	8.0
106.06504	1.9
107.03635	1.6
107.04921	1.7
108.04437	2.3
110.05998	2.3
112.03930	2.9
114.01859	2.5
115.05035	6.3
116.03448	2.5
122.05993	3.1
124.03915	3.7
124.07582	4.6
128.03419	3.5
130.31567	1.7
134.05977	3.0
136.03978	1.9
138.05504	3.5
140.03404	2.0
142.01480	2.3
143.04501	15.3
144.02921	45.3
149.07098	1.9
150.05490	6.2
158.05652	1.7
161.05594	10.6
162.05498	2.2
167.08133	6.0
168.06622	3.1
170.04471	2.4
179.08151	3.8
180.06668	1.7
197.09239	4.8
206.04585	1.7
218.06190	1.5
241.08249	22.1
259.09329	100.0
260.09943	3.3
284.57599	1.5
327.12088	3.0
339.08356	2.6
339.12161	2.0
345.12805	1.5
357.09531	3.7
357.13110	5.5
375.09839	2.4
375.14026	11.0
375.41736	1.5
382.09399	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	375.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51200	0.4
55.57418	0.4
55.97983	0.4
56.24340	0.4
59.01247	10.8
68.34924	0.4
69.33786	1.7
69.34213	2.5
70.70406	0.4
71.01250	10.8
73.06428	0.5
111.70115	0.4
127.07565	0.9
148.05128	0.7
151.07530	0.9
164.08331	1.0
174.99170	1.8
177.09122	4.2
190.09895	2.5
192.11494	7.6
205.12260	4.6
207.13834	1.7
217.00278	6.2
217.08795	0.8
218.09428	1.9
220.12314	0.4
220.12947	0.5
220.14627	43.1
221.15408	100.0
222.15732	7.0
231.17526	0.8
235.13333	0.9
236.10493	88.3
237.10876	6.4
258.08646	0.5
264.08453	1.1
275.16501	0.5
292.11612	0.5
293.17578	37.9
294.17865	4.4
318.09448	4.6
319.09882	1.0
321.15533	1.6
322.15686	0.5
375.06863	0.6
375.17831	6.6
376.18149	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01587	1.3
63.25757	1.0
65.46540	0.9
71.49823	1.8
95.56242	1.0
99.07346	1.0
107.76991	1.1
121.53793	0.9
166.90991	1.1
174.93364	1.5
174.99153	16.3
196.34296	1.0
201.02464	3.8
210.90018	2.7
217.00237	58.8
295.58371	0.9
306.38687	1.0
312.01508	0.9
314.26920	1.1
329.63693	1.1
374.24460	3.8
374.99094	3.5
375.06876	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	375.1311
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
59.01248	8.7
71.01250	3.9
71.29144	1.0
73.02812	1.0
83.01270	0.6
85.02831	1.7
89.02316	2.0
91.34441	0.6
93.03307	0.8
96.95871	0.6
97.67429	0.6
99.00766	0.6
101.02334	2.7
104.38577	0.5
113.02340	1.0
119.03445	1.1
135.04340	0.8
144.08072	1.4
150.03091	0.7
157.07767	0.8
165.05463	0.9
169.07622	0.6
173.04559	1.1
175.02464	0.6
184.08792	3.0
186.06718	0.9
191.05573	1.7
197.05850	1.6
198.06647	7.1
204.26077	0.7
212.08244	24.5
213.08597	1.5
216.82669	0.6
240.06476	3.7
241.07278	23.6
242.07687	0.7
255.08847	100.0
256.09180	8.3
272.05432	1.0
289.06146	0.6
341.11661	1.1
358.14545	0.7
375.12680	5.3
375.16782	2.0
376.13770	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	374.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66307	0.4
53.73298	0.4
59.01249	20.6
70.80541	0.9
74.94295	0.4
78.95776	0.5
87.50297	0.4
96.95878	0.9
101.05976	1.5
116.91988	0.5
124.07567	0.4
132.98039	0.5
134.48167	0.4
165.10280	0.5
166.91034	0.8
174.93372	0.8
174.99187	6.5
179.03416	0.7
182.87675	0.4
189.10292	0.6
201.02429	1.4
210.90051	1.2
217.00235	24.0
232.10876	9.9
276.09988	0.6
289.17947	1.8
290.18692	3.4
316.16718	1.4
350.46414	0.5
358.21423	1.1
374.24466	100.0
374.99191	0.9
375.07175	1.4
375.24777	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	373.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50995	0.3
53.38079	0.3
59.01249	100.0
59.95638	0.3
60.01581	1.1
69.61429	2.2
71.01254	3.9
73.02818	1.8
74.70499	0.3
83.01242	0.6
85.02837	1.0
89.02305	2.5
95.01305	0.4
101.02308	2.2
113.02338	1.4
119.03397	0.7
127.43289	0.4
131.03381	0.3
131.31915	0.3
149.04517	0.5
161.04544	0.6
179.05681	0.4
197.11688	0.7
211.85768	0.3
241.10831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00464	0.3
59.01249	100.0
60.01588	1.0
64.33319	0.2
69.29885	1.1
69.30320	1.2
71.01250	5.4
73.02820	4.3
83.01266	0.9
85.02824	1.4
89.02317	3.1
89.09220	0.2
95.01296	0.3
98.19730	0.4
101.02324	3.6
113.02324	2.8
117.18875	0.2
119.03397	1.0
123.03408	0.3
125.02344	0.2
135.40813	0.2
141.87355	0.2
143.03458	0.3
150.27898	0.2
161.04472	0.6
166.02519	0.3
179.05511	0.3
191.03598	0.2
192.04251	0.7
207.06627	0.5
212.65500	0.3
225.15288	0.3
237.07585	0.2
297.09067	0.3
332.07236	0.2
343.11761	0.4
373.12973	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1866
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01757	0.5
57.03319	0.8
58.00464	0.4
59.01248	100.0
60.01587	0.9
65.03835	0.2
69.03334	0.4
70.53777	0.6
71.01249	12.9
72.01567	0.2
72.99173	0.7
73.02814	5.1
75.00741	0.3
81.06976	2.1
83.01252	1.9
83.04901	0.2
85.02820	4.2
85.81311	0.2
85.99949	2.0
87.00751	2.0
87.04397	0.2
89.02313	6.4
90.42036	0.2
95.01281	0.8
97.02834	0.3
97.06506	0.2
99.00740	1.1
101.02319	9.2
101.05970	1.0
113.02327	5.5
119.03389	3.0
125.02340	0.6
131.03436	0.6
131.67946	0.2
143.03391	1.0
149.04433	0.4
153.53531	0.2
153.77139	0.2
159.02931	0.7
159.06517	3.6
161.04449	5.2
162.04636	0.3
179.05539	1.7
203.05580	0.3
218.06488	0.2
249.09753	1.9
257.17676	0.2
313.16568	1.7
331.17581	1.2
343.25049	0.3
373.18460	0.5
373.25998	3.7
374.26358	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1865
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01748	0.2
55.81026	0.2
58.00456	0.4
59.01249	100.0
60.01582	1.2
69.58420	1.6
70.90790	0.2
71.01251	8.4
72.99171	0.3
73.02820	7.2
80.02632	0.2
83.01256	1.6
85.02807	2.0
86.38885	0.2
89.02311	3.8
95.01278	0.4
101.02319	4.1
113.02325	3.2
118.29487	0.2
119.03403	1.0
131.03413	0.4
141.49612	0.2
161.04521	0.5
196.04794	0.3
276.00500	0.3
315.53644	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84285	0.5
58.30008	0.5
59.01251	16.4
69.44688	0.5
69.78658	3.7
70.64246	0.5
71.01254	0.6
71.26782	0.6
82.76817	0.5
93.03331	2.0
97.06463	0.7
115.91942	2.5
119.84514	0.6
123.46455	0.6
125.05930	0.7
137.13626	0.6
148.08788	1.1
150.10426	1.8
151.11270	0.6
157.31657	0.6
163.11221	1.2
164.94180	0.7
165.11334	1.2
165.12753	23.2
166.13045	0.9
174.93260	2.9
175.11234	0.6
191.14366	1.0
203.43553	0.6
208.93108	0.9
217.15840	1.0
217.93599	0.6
244.10817	4.3
247.20657	12.0
248.21011	1.6
273.18661	5.9
291.19653	100.0
292.20016	10.5
313.17822	12.7
314.18274	1.2
354.01697	0.7
373.19962	11.8
374.20401	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	373.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34285	0.7
57.03311	1.5
59.01251	25.9
59.79817	0.8
68.48647	0.8
70.08887	2.8
89.93134	0.8
93.06940	1.2
95.04951	1.1
96.95901	1.0
97.06453	2.0
115.91975	3.2
121.10120	18.2
123.08015	1.3
125.09599	7.6
141.00281	0.8
147.08011	1.8
151.59961	0.9
174.93277	1.4
185.11732	13.4
186.12064	1.9
197.11768	3.4
207.09943	3.8
209.07819	1.4
209.11884	1.2
211.13300	1.6
223.13290	1.7
228.47598	0.8
245.19051	8.3
273.18472	1.2
285.17355	1.0
291.19650	64.2
292.19965	6.7
293.54654	1.0
295.16870	1.2
311.16403	1.0
311.89322	1.1
313.17825	100.0
314.18210	8.4
373.19397	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11224	0.8
55.18496	1.0
59.01247	34.5
65.70827	1.0
69.16554	1.0
69.55941	6.1
70.02856	0.9
71.01250	1.1
73.02823	1.2
81.07096	0.9
90.97020	3.8
96.95892	2.4
99.16138	1.0
118.96502	1.9
131.34363	0.9
132.98088	8.1
135.04396	1.1
174.97670	1.5
174.99155	24.7
183.13831	3.2
191.03439	2.7
191.90359	0.8
195.13834	4.1
200.01207	0.9
213.14844	4.8
229.03769	1.6
243.05505	2.1
249.91914	0.9
267.09128	1.5
269.10632	2.1
277.07358	1.0
283.08725	1.6
297.10193	12.7
299.11731	25.4
300.12000	1.7
309.10147	2.4
311.11743	100.0
312.12094	8.9
341.09454	1.4
343.10681	4.9
355.10693	3.8
371.15210	1.6
371.24301	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	373.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94745	0.5
57.03313	1.7
59.01250	6.8
65.00172	0.5
70.07018	2.3
71.01240	3.5
73.02810	3.1
73.89766	0.5
81.03329	6.0
83.01258	4.2
85.02809	0.9
89.02309	0.9
93.03339	0.8
95.01269	0.6
95.04935	0.9
97.02823	0.9
101.02319	2.4
107.01264	0.7
107.04895	1.0
109.06417	0.6
112.19692	0.5
113.02303	0.6
119.46304	0.5
121.02881	0.6
123.04402	34.8
124.04731	1.3
125.02328	19.2
126.02676	0.6
130.00082	0.4
139.03914	0.5
149.02339	3.3
149.05991	1.9
151.00284	3.5
151.03888	4.5
163.03952	0.6
166.45110	0.5
167.03404	100.0
168.03748	3.9
184.69176	0.5
191.03430	2.0
191.05542	1.7
193.04955	8.8
209.04532	1.5
211.06064	10.6
315.32901	0.6
329.08752	2.1
338.24030	0.5
341.50458	0.6
373.00290	1.0
373.11249	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	373.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87222	0.5
55.01754	0.6
57.03313	1.8
58.00471	1.8
59.01249	100.0
60.01593	0.9
71.01250	27.5
71.58272	0.7
72.99183	2.9
73.02822	2.4
83.01268	2.7
85.02814	7.2
87.00763	2.2
87.04410	0.7
89.02316	24.6
89.11700	0.6
93.03359	1.1
95.01273	2.5
96.37904	0.5
99.00761	1.3
99.04462	0.7
101.02322	17.4
109.02899	1.0
113.02331	11.7
119.03386	12.4
123.00764	0.7
124.01525	0.8
125.02354	0.9
131.03459	1.0
133.02852	1.1
134.02612	0.5
136.95581	0.5
137.02386	2.2
138.03195	1.1
139.88895	0.7
143.03395	1.4
147.04468	0.9
149.04536	1.2
149.06017	1.0
149.49815	0.6
151.03946	0.9
161.02365	0.6
161.04420	4.7
163.03957	1.5
169.12413	0.7
173.04486	1.6
179.03322	0.9
179.05563	1.3
193.12303	3.6
211.13400	0.9
229.17970	0.9
273.42044	0.6
298.08521	1.5
300.31500	0.6
313.10684	4.0
331.17709	1.1
343.12012	1.1
358.10663	0.9
358.14465	0.7
373.13080	5.3
373.18738	19.3
373.25900	8.0
374.19086	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18817	0.4
54.50061	0.4
59.01249	100.0
60.01584	1.2
64.91450	0.4
69.28170	4.8
71.01257	5.1
72.99175	0.6
73.02821	2.8
83.01283	0.7
85.02844	1.4
89.02312	2.5
90.63171	0.5
95.26589	0.5
101.02318	3.2
113.02315	2.2
119.03397	0.9
132.38754	0.4
161.04547	0.6
215.57700	0.4
241.10727	0.7
245.12265	0.4
259.73434	0.4
267.61530	0.5
374.16479	0.5
384.14139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73144	0.2
59.01250	100.0
60.01584	0.9
69.90113	1.2
70.65501	0.2
71.01268	0.2
81.86485	0.2
85.02834	0.2
88.37327	0.2
101.02319	0.3
106.53747	0.2
130.08650	0.4
135.04459	0.6
143.51741	0.2
149.04485	0.2
173.04550	0.3
191.05533	0.3
222.26591	0.2
239.09338	0.3
269.10306	0.3
371.13278	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09974	0.1
57.03038	0.3
57.03322	5.8
59.01244	0.8
63.02269	0.5
65.00183	0.7
69.03304	0.3
71.01256	0.9
71.19608	0.3
73.02817	0.2
75.00784	0.2
75.50294	0.2
81.03323	1.8
83.01251	7.4
84.01569	0.2
85.02831	0.3
89.02309	0.3
93.03340	0.3
95.01245	0.2
95.04895	0.5
97.02827	1.2
98.46629	0.2
99.04403	0.2
101.02316	0.4
103.50720	0.2
105.03355	0.3
107.01270	1.5
108.02092	0.2
109.02823	0.4
113.02307	0.3
121.02808	0.8
123.04398	2.9
124.01551	0.5
125.02330	100.0
126.02673	3.5
135.04410	0.6
137.02344	0.4
138.07211	0.1
139.03906	2.9
147.04387	0.2
149.02342	12.1
150.02730	0.5
151.00266	1.7
151.03932	0.3
161.04436	0.5
163.03894	0.5
165.05507	0.3
167.03404	11.6
168.03745	0.5
169.01309	0.7
173.02412	0.5
173.04471	0.2
175.00250	0.2
179.03419	2.0
181.05005	0.3
191.03397	2.5
191.05243	0.3
197.04431	0.2
209.04482	18.6
210.04803	1.1
223.06027	0.7
233.04497	5.6
234.04956	0.4
244.90300	0.2
251.05569	2.1
261.69156	0.2
263.05563	0.6
269.06415	0.3
287.07715	1.8
311.07648	0.4
329.08807	1.0
353.09183	0.3
371.09811	12.0
372.10251	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.098
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00412	0.2
59.01247	5.0
62.47243	0.2
65.00201	1.0
65.03822	0.5
66.91888	0.2
69.03329	0.5
69.55112	0.2
70.86103	0.5
71.01250	1.7
73.02811	0.7
81.03357	0.3
83.01244	0.3
85.02828	0.7
89.02311	0.7
91.01767	33.6
91.54185	0.2
92.02109	0.8
93.03362	0.5
97.02831	0.3
101.02340	0.9
107.01276	0.4
108.02033	0.3
108.52410	0.2
111.20042	0.2
113.02357	0.9
119.03337	0.4
123.00751	0.2
123.05250	0.2
125.02318	0.3
131.79538	0.2
131.83348	0.2
135.00774	36.3
135.04330	1.1
136.01138	1.1
137.02344	0.2
149.02359	0.2
149.04401	0.4
152.01021	0.5
161.04472	0.3
167.03404	100.0
168.03740	4.1
170.17850	0.2
170.38693	0.2
173.04474	0.3
173.13388	0.2
179.03510	0.2
191.05505	0.8
195.10193	0.3
206.05206	0.2
239.09196	0.4
256.50699	0.2
319.56680	0.2
371.09793	1.2
371.16797	0.3
371.24393	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0981
Annotation	Randioside
Peak:m/z	Relative Intensity
52.20562	0.3
53.21912	0.3
53.80818	0.2
55.82018	0.2
57.03321	3.4
57.07001	0.2
62.87590	0.3
63.02264	0.2
70.70467	0.4
71.01250	0.5
81.03327	1.4
83.01254	4.5
85.02827	0.3
97.02827	0.7
107.01299	0.8
113.02328	0.4
121.02826	0.7
123.00759	0.3
123.04388	1.4
124.01510	0.4
125.02330	100.0
126.02676	3.1
135.04437	0.3
137.02318	0.4
139.03918	3.1
149.02339	13.2
150.02704	0.5
151.00276	2.0
151.03940	0.5
161.04482	0.5
161.58687	0.3
166.02603	0.2
167.03407	13.2
168.03830	0.5
169.01309	0.4
173.02332	0.6
179.03394	1.3
181.11827	0.2
191.03407	2.9
192.03719	0.2
209.04488	20.7
210.04816	1.0
223.06059	0.4
226.77319	0.3
233.04504	6.3
251.05589	2.1
252.06100	0.3
263.05545	0.6
269.06589	0.4
287.07675	2.8
287.84485	0.3
311.07660	0.5
329.08704	1.1
353.08362	0.2
371.09805	12.9
372.10272	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09703	0.5
58.14798	0.4
59.01241	1.9
70.59229	1.6
72.99180	0.5
83.04891	1.2
85.02832	0.5
87.00726	0.6
93.03329	2.1
96.04439	0.5
109.02846	2.1
111.04404	1.5
112.25655	0.5
117.54417	0.5
123.04417	3.5
134.03622	1.1
135.04410	100.0
136.04729	4.7
137.02356	1.6
150.05528	0.4
153.05469	2.2
154.89905	0.5
155.03394	1.2
165.05544	0.7
165.50162	0.4
167.03410	1.6
173.03058	1.0
173.04465	10.1
174.04718	0.8
179.03403	4.6
191.05537	11.9
192.05922	0.7
197.04471	5.7
341.08954	1.7
353.08865	4.3
371.09729	11.1
371.14124	0.7
372.10257	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.3
66.49416	0.5
67.01756	1.6
67.02094	0.6
69.03305	0.5
69.81837	3.2
71.01246	1.7
72.99171	1.5
73.57021	0.5
74.55709	0.5
85.02832	3.6
87.00748	1.9
93.03336	10.9
96.04429	0.9
98.02386	0.8
98.19788	0.7
107.04916	0.5
109.02861	2.0
110.43684	0.5
111.04404	4.0
121.02818	0.7
122.03652	0.6
123.04418	4.1
127.03923	1.2
128.03453	1.1
135.04417	100.0
136.04730	4.1
136.45108	0.5
137.02393	2.5
144.02928	0.9
153.05487	3.4
155.03397	3.3
161.02400	1.2
165.05508	0.7
167.03419	3.0
173.04468	31.0
174.04823	1.0
179.03418	3.6
191.05536	52.3
192.05940	2.1
197.04497	9.5
197.22943	0.6
206.02943	0.5
217.96999	0.6
220.27409	0.5
225.08882	0.5
341.08630	2.6
353.08762	3.9
371.09811	12.5
372.10095	1.3
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
57.03316	2.4
59.01250	42.5
69.31351	12.6
71.01251	11.3
73.02816	3.9
75.38301	1.4
77.34066	1.4
78.95786	1.9
80.93035	1.6
81.03326	8.0
83.01245	3.6
83.04900	8.1
85.02824	4.6
89.02303	8.2
93.03355	3.8
95.04926	2.7
97.02801	1.7
98.20478	2.6
99.04346	1.6
100.07574	1.5
101.02319	2.7
107.04865	1.5
111.11223	1.4
113.02329	2.0
118.42168	1.5
123.04414	33.2
125.02369	7.7
134.03603	2.6
135.00754	2.1
135.04398	15.8
137.02350	4.5
139.03894	1.5
148.01538	2.4
149.02419	2.9
149.04456	15.1
151.03870	3.1
151.11136	2.0
154.02559	1.7
163.03879	8.9
165.01825	5.4
166.02692	1.5
167.03409	100.0
168.03716	4.6
173.04456	8.5
175.00339	1.6
178.04997	1.6
178.08621	3.8
179.03383	4.0
180.04187	4.7
181.05009	3.0
191.03407	17.5
191.05482	4.9
195.06480	1.5
195.10123	1.6
195.13858	3.6
207.02925	2.8
209.04460	7.8
221.04414	1.8
224.03091	2.3
239.05527	9.7
239.09216	2.5
240.08784	1.5
243.17036	2.7
371.09430	3.3
371.17133	2.8
371.21564	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	371.0772
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.00988	0.3
59.01251	4.6
61.98728	0.2
63.28393	0.2
64.01188	0.2
64.97895	0.2
69.52216	0.7
69.52634	0.9
76.02448	0.2
78.88371	0.2
83.42019	0.2
93.03359	0.4
98.19804	0.5
112.88778	0.2
119.04906	0.3
121.02839	100.0
122.03179	3.8
149.02325	0.6
162.70728	0.2
176.00803	0.2
179.03409	10.2
180.03725	0.7
181.06508	0.6
197.06013	0.4
225.05537	0.9
239.07068	0.5
258.07678	0.2
311.11807	0.4
371.07709	13.3
372.08215	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22898	0.5
53.37539	0.5
55.74108	0.5
59.01242	2.5
60.99176	1.0
67.01769	1.7
67.38682	0.5
69.03332	0.7
70.83205	0.5
71.01245	2.1
71.32131	0.6
71.32478	0.9
72.99183	1.9
79.30389	0.5
81.03331	0.9
85.02814	4.3
87.00757	2.4
93.03331	13.3
98.02338	0.6
107.04884	0.5
108.57214	0.5
109.02850	1.1
111.04397	3.5
120.56088	0.5
123.04417	8.9
127.03888	1.0
127.64383	0.5
128.03450	1.0
129.01846	0.9
129.66412	0.5
134.03604	1.6
135.04411	100.0
136.04750	3.9
137.02336	2.1
143.04533	1.1
144.02979	1.1
145.06071	0.6
146.62543	0.5
151.03926	1.0
153.05481	7.3
155.03419	2.2
156.06784	0.6
161.02315	0.6
165.05492	5.4
167.03452	4.0
173.04465	35.2
174.04797	1.5
179.03426	4.5
191.05537	53.4
192.05917	1.9
193.05894	0.6
197.04501	14.9
198.04865	0.7
206.39903	0.6
218.47972	0.6
225.08714	1.1
243.09880	0.8
261.12473	0.6
272.42471	0.6
341.08649	5.6
342.08994	0.8
353.08575	3.5
354.13174	0.7
371.09814	23.2
372.10010	2.9
372.14182	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3008
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
69.88672	5.7
69.89074	2.8
69.99158	1.2
74.54361	1.2
80.81948	1.5
84.02682	1.2
307.30051	69.6
308.30420	8.5
342.69983	1.7
351.29034	16.6
352.29340	1.5
369.30069	100.0
370.30432	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	369.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85271	0.1
57.10012	0.1
58.00475	0.1
59.01244	0.7
59.29770	0.1
61.10276	0.1
66.76790	0.1
69.53450	0.5
69.53871	0.3
71.01260	0.8
73.02814	0.2
79.05398	4.4
81.03340	0.4
85.02816	0.4
87.00739	0.3
88.49177	0.1
89.02338	0.2
93.03349	0.1
101.02322	0.3
105.03337	6.6
106.03649	0.2
107.04939	0.2
113.02301	0.5
115.72655	0.1
119.04877	0.3
121.02843	0.2
121.05598	0.2
121.06477	4.7
122.03698	0.1
122.06863	0.2
123.04405	19.0
124.04755	0.8
134.03641	0.1
134.16292	0.1
135.04404	0.4
137.05960	0.2
147.04417	0.7
149.02342	11.9
149.05940	0.6
150.02756	0.4
151.03893	0.7
163.00262	0.3
163.03897	0.3
164.04738	0.5
165.05479	100.0
166.05812	5.0
167.03418	1.6
167.22270	0.1
169.05313	0.1
173.04510	0.2
177.05493	0.4
178.02638	0.2
179.07062	0.3
189.05479	0.7
191.05550	0.3
193.05003	0.4
198.05310	0.3
207.03052	0.2
207.06560	1.7
208.07013	0.2
223.06087	0.1
247.85475	0.1
273.26572	0.1
277.04868	0.1
297.13715	0.1
335.46030	0.1
369.11942	0.2
369.19092	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	369.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.4
59.01250	6.3
66.95879	0.4
71.01256	5.7
71.04867	0.4
71.58563	0.4
71.58970	0.4
73.02801	0.8
83.04879	0.4
85.02795	1.3
87.00754	0.4
87.04375	0.9
89.02298	0.4
93.03330	1.0
96.69944	0.3
96.95866	0.5
99.04402	0.6
101.02299	0.8
107.04892	0.6
113.02279	1.0
116.35612	0.3
121.10092	0.4
123.04368	0.4
133.02812	0.6
133.06438	1.3
135.04401	0.5
135.08040	5.1
137.09566	0.5
147.08063	3.3
151.03947	0.5
159.89816	0.3
161.02391	0.3
161.04321	0.5
163.11211	2.1
172.97704	0.4
173.04454	0.9
179.06987	0.4
189.09146	2.3
191.05556	1.1
195.02992	0.5
207.10197	100.0
208.10550	5.6
225.11237	2.5
237.07639	8.6
238.07964	0.7
339.08957	0.6
369.15573	12.6
369.22559	4.5
370.15756	1.0
370.22879	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2279
Annotation	Thromboxane B2
Peak:m/z	Relative Intensity
52.70350	0.4
58.64181	0.4
59.01247	3.7
59.72307	0.5
61.98710	0.6
71.01254	0.9
71.58143	0.8
72.99165	0.5
73.55253	0.5
89.02319	1.4
91.03879	2.0
138.06769	0.6
151.07556	1.0
166.91010	1.4
170.05783	3.5
171.10176	1.9
190.96130	0.4
194.95479	1.1
195.13843	1.7
210.90096	0.9
210.92697	0.9
233.19109	1.6
233.70645	0.4
247.72301	0.6
249.18570	0.5
251.20096	2.0
277.18079	100.0
278.18405	9.3
295.19147	53.0
295.22742	16.0
296.19504	5.2
296.23169	1.5
369.22794	71.0
370.23160	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	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51421	0.4
54.05794	0.4
57.03323	1.0
59.01248	3.2
66.26470	0.4
67.01762	4.3
69.03323	0.9
71.01241	3.8
71.35140	0.8
76.77731	0.4
81.03330	1.4
83.04895	0.7
85.02817	7.1
85.16460	0.4
87.00745	2.1
89.03832	0.6
90.57735	0.4
93.03333	23.1
95.04898	1.2
99.04398	0.8
101.02352	0.5
105.03337	2.4
107.04913	2.6
109.02834	2.3
110.74337	0.4
111.04400	4.3
113.02294	0.4
119.04888	0.8
121.02782	0.5
122.03619	1.2
123.04413	22.0
124.04742	0.8
127.03909	1.3
133.02847	18.4
134.03703	2.2
135.04051	0.9
136.04138	0.9
137.02348	3.5
145.06503	1.7
145.57439	0.4
147.04391	0.5
149.02353	1.3
150.03017	0.6
151.03906	28.5
152.04253	1.4
154.02617	0.6
155.03395	4.2
163.07571	0.5
165.05510	0.5
173.04465	100.0
174.04781	3.6
175.04883	0.5
177.01837	15.2
178.02345	0.7
179.03490	0.7
189.03970	0.4
191.05531	50.9
192.05885	3.2
193.04974	1.3
194.02049	0.6
194.05348	0.9
195.02907	31.0
195.05653	1.8
196.03290	0.6
199.92372	0.4
202.19176	0.4
207.02872	1.4
207.04912	0.4
351.07458	0.9
351.50943	0.4
369.08139	8.4
369.12003	0.8
370.08478	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.5
68.67085	1.0
69.03305	1.0
71.01239	2.6
71.06191	2.6
77.03846	1.0
81.03346	1.4
83.04876	1.0
85.02808	11.8
87.00756	3.7
93.03334	12.4
95.04902	3.6
105.03340	7.5
107.04902	3.5
108.02058	1.2
109.02837	2.0
111.04395	4.2
121.02856	1.6
122.03640	3.1
123.04411	59.4
124.04766	1.9
125.02311	2.5
127.03864	2.3
133.02844	57.5
134.03195	2.2
137.02367	2.8
144.75943	1.0
149.02354	2.6
149.05980	1.0
150.02980	1.1
151.03917	26.4
152.04288	1.7
153.01796	1.1
155.03349	1.5
158.35280	0.9
173.04463	25.9
174.70692	0.9
177.01849	12.7
183.39813	1.0
191.05539	100.0
192.05864	5.9
194.01913	1.3
195.02921	62.2
195.12506	0.9
196.03252	2.2
207.04861	1.1
369.08218	9.0
386.21378	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.1
59.01246	0.5
67.33873	0.1
68.00681	0.1
71.01244	0.9
72.99220	0.1
73.02813	0.1
79.05402	3.8
80.28128	0.1
81.03330	0.3
83.01239	0.1
85.02802	0.2
89.02346	0.1
98.20576	0.3
101.02306	0.2
105.03337	5.4
106.03703	0.2
107.04883	0.1
113.02315	0.5
113.03063	0.1
119.04909	0.1
121.02860	0.3
121.06478	4.1
122.06824	0.2
123.04407	16.1
124.04723	0.5
124.99675	0.1
135.04391	0.4
147.04407	0.7
149.02342	10.8
149.05940	0.6
150.02719	0.3
151.03934	0.4
161.05899	0.2
163.00249	0.2
163.03908	0.2
164.04680	0.2
165.05479	100.0
166.05814	4.3
167.03415	1.2
177.05508	0.2
178.02647	0.2
179.07111	0.3
183.06772	0.1
189.05530	0.8
193.04997	0.3
207.06577	1.7
229.59950	0.1
369.11990	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0824
Annotation	5-Hydroxy-6-methoxy-7-O-beta-D-glucosylcoumarin
Peak:m/z	Relative Intensity
57.36595	0.7
59.01244	4.1
60.99171	1.9
66.46635	0.6
67.01756	3.2
69.03308	1.0
71.01250	3.5
71.12032	1.3
73.02818	1.5
73.06693	0.6
81.03332	1.4
83.04904	1.0
85.02328	1.1
85.02821	9.6
87.00757	7.2
93.03336	25.2
95.04875	0.9
99.00800	0.8
101.02315	1.0
105.03339	1.4
107.04900	2.4
108.02056	1.2
109.02834	3.3
111.04405	4.3
113.02264	0.6
119.04876	1.3
121.02854	1.4
122.03661	0.9
123.04411	27.4
124.04762	1.1
125.56582	0.7
127.03909	2.4
131.27629	0.7
133.02861	11.0
135.04407	1.4
137.02374	1.3
147.04445	4.7
149.02312	1.7
151.03925	9.3
155.03378	2.1
171.12877	0.8
173.04474	32.2
174.04869	1.0
177.01868	8.9
191.05547	100.0
192.05952	3.6
193.04961	1.2
195.02925	14.6
195.05527	0.7
207.02983	1.0
207.04982	0.8
214.84436	0.8
215.05484	0.8
321.78204	0.7
351.07257	1.9
369.08218	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	369.0825
Annotation	6,7-Dihydroxy-5-methoxycoumarin 6-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
58.52629	0.7
59.01254	1.8
60.59255	0.9
60.99171	1.1
67.01749	3.6
71.01270	2.1
71.12536	1.6
73.27689	0.7
81.03331	1.1
83.04889	1.2
84.21880	0.7
85.02825	9.5
87.00749	7.2
91.39929	0.7
93.02749	1.6
93.03336	26.5
93.03914	1.5
94.03707	0.8
105.03384	1.7
107.04958	0.9
107.91667	0.6
108.02077	0.8
109.02847	1.7
110.72348	0.7
111.04431	4.6
122.03613	1.8
123.04427	26.1
124.04757	0.8
127.03888	2.3
129.01825	0.8
133.02850	12.1
135.04369	0.8
137.02315	1.6
149.02327	1.5
151.03929	3.4
171.02982	0.9
173.04474	34.9
174.04790	2.1
177.01852	10.1
191.05536	100.0
192.05847	6.1
194.02130	1.1
195.02905	18.0
196.03203	1.1
215.05595	2.2
219.78195	0.7
335.81793	0.7
351.07129	4.8
369.08218	30.2
370.08505	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	368.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	2.1
59.01251	16.4
61.96572	1.6
67.01764	2.1
71.01254	7.3
71.04926	1.7
71.58639	2.0
72.99159	2.9
73.02814	8.9
75.00739	31.6
83.04903	2.0
85.02828	5.8
87.00748	11.8
88.79324	1.6
89.02307	2.7
93.06973	1.6
94.02873	5.7
95.40391	1.8
96.04424	7.8
97.02830	3.8
99.00745	2.4
101.02322	9.8
107.04887	2.5
108.04416	2.6
109.06474	4.5
110.02335	2.1
117.01816	30.6
119.03380	4.5
123.03150	9.0
134.03563	1.9
135.02879	12.6
135.04373	7.9
148.03926	3.1
150.05586	2.8
151.02646	2.7
152.07063	9.5
158.09630	1.8
160.11296	1.9
162.02039	2.1
163.06273	4.1
173.04541	2.9
175.07666	2.1
176.10765	3.2
179.03418	1.8
180.06606	4.6
188.10710	3.7
191.05600	11.4
192.06468	5.4
220.09776	2.9
232.09705	4.3
250.10822	100.0
251.11240	5.9
252.23262	1.9
290.10330	7.6
338.14038	2.3
368.14432	6.9
369.22720	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	369.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88710	0.5
57.03310	0.8
59.01246	2.5
60.99165	1.9
67.01763	6.0
69.03344	1.3
71.01253	3.3
71.34734	1.6
81.03344	2.1
83.04897	1.8
83.29194	0.7
85.02818	11.3
87.00745	11.3
89.03857	1.1
93.03337	39.6
94.03683	1.9
95.04930	1.7
97.02812	0.8
99.00782	0.7
105.03333	2.8
107.04893	1.2
107.63120	0.6
108.02049	0.9
109.02834	3.7
111.04398	6.1
115.03905	1.3
121.02825	1.7
122.03660	2.9
123.04420	32.5
123.89385	0.6
124.01541	0.8
124.04753	1.4
125.02326	0.8
127.03869	1.6
129.01842	1.2
133.02856	24.4
134.03181	1.2
135.04433	1.8
137.02328	1.5
139.03906	0.8
149.02313	2.3
151.03923	6.7
154.02617	0.8
155.03333	2.5
163.03874	0.9
171.02861	0.8
173.04474	33.1
174.04863	1.0
177.01860	9.5
179.03412	1.0
191.05540	100.0
192.05875	7.8
195.02922	18.0
207.02988	0.8
210.61746	0.6
215.05536	2.2
351.07202	3.7
369.08209	19.4
370.08545	1.7
371.26001	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	49.3
60.01593	2.0
61.98717	1.2
64.48207	1.0
65.70788	1.1
71.01250	1.9
71.04890	1.2
71.58395	1.3
75.00822	1.1
89.02339	3.0
91.03879	12.4
94.57196	1.2
101.51169	1.2
103.91924	1.2
106.63847	1.0
111.08021	1.0
114.13466	1.2
121.02845	2.1
150.94711	1.4
163.63403	1.1
164.94069	3.0
171.10175	4.3
174.99130	1.7
179.14278	1.6
186.85416	1.2
192.95792	11.6
195.13840	7.4
202.92749	1.1
202.98640	2.0
208.93002	7.9
217.00191	5.4
223.13399	5.8
235.16980	2.4
239.03397	1.2
256.13159	1.6
261.10837	1.5
262.11884	4.0
275.20206	12.0
276.20541	1.5
293.21216	100.0
294.21637	9.6
298.08228	1.3
309.20789	1.4
331.18692	5.1
367.24771	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	367.1393
Annotation	Drosopterin
Peak:m/z	Relative Intensity
57.03320	1.2
59.01247	8.2
69.03319	1.9
71.01247	4.2
71.01865	1.0
72.99191	0.8
75.00731	2.0
76.75891	0.5
83.04891	1.1
85.02784	0.6
93.03327	1.2
95.04900	0.9
97.06452	0.7
99.00753	22.6
107.04903	1.1
108.02051	2.3
109.02871	0.6
109.06439	0.6
109.09417	0.6
111.00765	1.0
112.01531	1.0
115.00239	3.3
121.02821	1.3
121.06481	0.8
121.35691	0.6
122.03647	1.1
123.00823	1.0
124.01519	0.9
124.98704	1.2
125.02319	1.1
134.03613	1.4
135.04381	0.9
136.01567	1.4
137.02361	0.7
138.03113	0.8
140.01045	4.7
144.00539	1.3
149.02351	1.0
156.00571	2.7
163.03940	3.1
164.04692	5.6
165.09056	0.8
166.02591	1.3
173.04376	0.8
175.03865	1.0
177.05496	6.2
177.12778	0.9
191.03438	0.9
192.04173	1.8
193.05109	0.9
193.12355	0.8
201.12749	1.0
205.12181	1.0
207.13829	2.2
217.12285	1.3
219.13805	1.9
221.11694	0.7
221.15454	0.6
223.13329	2.9
227.10643	0.6
231.13770	0.8
233.11736	2.0
235.13322	1.5
243.13901	0.9
245.11790	1.8
247.13377	1.2
249.14896	1.6
251.12857	2.2
252.90205	0.6
261.11163	2.8
261.15048	0.9
263.12866	2.5
265.14432	1.1
267.12277	0.7
275.12808	1.0
277.14380	1.8
279.12405	9.3
280.12665	0.9
287.12927	1.7
289.10760	2.4
293.13876	1.6
305.13913	2.4
306.14279	0.7
307.11850	29.8
308.12177	2.6
309.13409	1.1
319.11716	0.9
331.11841	1.1
337.12976	3.5
349.12891	5.5
350.13220	0.7
367.13940	100.0
368.14212	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	367.1397
Annotation	Drosopterin
Peak:m/z	Relative Intensity
50.30253	0.5
52.77120	0.5
54.03210	0.5
55.90498	0.6
57.03311	1.6
59.01249	6.9
62.37045	0.5
67.01759	1.4
68.99664	0.9
69.03330	1.9
69.33833	2.4
69.34260	3.7
71.01267	4.2
72.99186	1.0
73.02798	1.0
73.95499	0.6
75.00741	1.6
78.95784	0.8
81.03329	0.7
83.04890	2.4
85.02820	1.0
93.03351	3.6
94.23703	0.6
95.04885	1.3
97.02812	0.7
97.06493	0.9
99.00758	20.6
99.04351	0.8
99.56252	0.6
107.04925	0.6
108.02036	1.9
109.02821	0.9
109.06461	0.9
111.00729	1.0
111.04404	1.2
111.08016	0.7
112.01541	1.6
115.00244	2.7
119.04930	0.8
121.02847	1.8
121.06489	0.8
122.03648	1.1
123.00784	1.1
124.98691	0.8
125.02368	1.3
134.03633	3.4
135.04437	1.0
136.01552	1.4
137.05899	0.7
137.99445	0.8
138.03091	1.0
140.01051	4.2
144.00555	1.5
147.11676	0.7
148.05183	2.3
149.02359	1.2
151.03879	0.6
152.99467	0.7
156.00571	2.1
159.99559	0.6
161.02361	1.5
161.09666	0.9
162.08075	0.7
163.03954	3.0
163.07518	1.7
164.04700	4.8
166.02690	0.9
173.04471	6.2
175.03914	0.8
177.01726	0.6
177.05505	6.0
177.12823	0.8
189.12833	0.9
190.02606	0.7
191.05553	1.0
191.10753	0.9
192.04196	1.0
193.04990	2.3
193.12296	1.1
199.13338	3.6
201.12811	1.4
205.04950	1.3
205.12173	1.5
207.13824	3.4
217.12151	0.9
219.13875	1.0
220.08365	1.2
223.13408	3.8
231.13899	0.9
233.11827	1.6
233.15387	0.8
235.13342	1.8
245.11807	2.2
249.14977	1.6
251.12968	1.5
259.13284	0.8
261.11334	3.2
263.12891	2.8
265.14386	0.9
275.12686	0.7
277.14539	1.2
278.11621	0.8
279.12411	11.0
280.12747	0.9
287.12717	1.7
289.10941	3.2
289.13766	0.8
293.13928	1.0
305.13974	2.3
307.11877	29.3
308.12213	3.0
319.12054	0.8
337.12930	2.9
349.12994	5.6
367.13968	100.0
368.14313	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	367.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75411	0.4
59.01247	6.0
60.99176	0.8
67.01743	1.4
69.76345	3.1
71.01248	2.3
85.02818	8.4
87.00739	3.4
89.02330	0.6
90.67578	0.5
93.03338	9.9
94.03634	0.5
98.20493	1.1
101.02312	0.7
109.02827	1.4
111.04413	2.3
113.02320	1.0
116.21689	0.5
117.03331	1.9
119.04901	0.8
121.02884	0.8
127.03893	2.0
134.03639	5.6
135.04475	0.6
137.02272	0.6
145.02847	5.3
149.02377	1.6
155.03395	1.1
163.03885	0.7
173.04468	7.7
191.05547	100.0
192.05888	4.6
193.01350	0.8
193.05000	3.6
367.10336	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	367.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.1
59.01244	2.8
60.99166	0.9
67.01761	8.5
69.03317	1.6
69.50488	0.4
70.71542	0.5
70.71868	0.8
71.01254	4.6
81.03346	1.7
83.04893	2.1
83.91380	0.4
85.02819	1.9
87.00743	2.5
89.03868	0.9
89.34642	0.4
90.64348	0.4
93.03332	44.6
94.03657	1.8
98.20480	0.3
99.00766	0.5
99.04449	0.5
106.04153	0.9
109.02846	1.4
111.00779	1.6
111.04402	7.1
113.02306	0.4
117.03340	2.9
127.03923	0.8
134.03624	31.8
135.03951	1.1
137.02342	6.4
149.06012	2.5
155.03407	5.4
160.01617	0.5
173.04472	100.0
174.04832	3.3
175.56555	0.4
191.05548	20.4
192.05907	0.9
193.04997	18.7
193.06767	0.9
194.05313	0.9
257.04861	0.4
304.08984	0.3
367.10376	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.4
60.10865	0.3
60.99158	0.5
67.01764	1.4
68.99946	0.4
70.60440	1.3
71.01272	0.8
80.32761	0.3
83.04894	1.0
85.02825	1.3
87.00774	1.3
93.03333	8.3
95.01291	0.4
101.94653	0.4
102.19463	0.4
109.02842	0.9
111.00728	0.4
111.04395	2.8
119.04922	0.7
121.02834	3.8
122.03629	0.9
123.04426	0.4
127.03903	0.9
129.01811	0.4
133.02917	0.5
134.03627	69.7
135.03946	2.9
137.02333	4.1
139.03928	2.8
147.00772	0.5
149.02344	7.3
149.05986	6.4
151.03938	1.2
154.02539	0.7
155.03403	3.3
163.03926	0.7
165.01775	0.9
173.04469	19.5
174.04805	0.7
175.00287	1.7
178.02618	5.2
191.05527	10.5
193.01384	4.7
193.04985	100.0
194.02151	0.6
194.05302	5.7
195.02899	0.7
215.05400	0.4
245.02946	0.7
367.06299	0.8
367.10385	6.3
368.10773	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1032
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
57.01776	0.3
59.01252	0.7
69.46754	0.6
69.47156	2.2
71.01247	1.1
73.02829	0.5
83.04885	0.7
85.02836	1.2
87.00772	0.5
89.03828	1.6
93.03313	2.6
101.02328	0.8
111.04404	2.5
113.02370	0.4
117.03342	8.9
119.04865	0.4
129.01837	0.4
129.71704	0.3
134.03627	100.0
135.03963	5.0
137.02332	0.7
149.02443	0.4
149.05989	9.7
150.06335	0.4
155.03426	3.6
161.04289	0.3
173.04477	4.1
178.02641	0.4
191.05528	8.4
193.04984	87.8
194.05319	4.7
235.11873	0.7
367.10294	3.2
367.15118	0.5
368.10294	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2694
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
59.01250	1.9
60.04568	0.4
70.76450	0.4
71.21787	0.7
83.01027	0.4
85.06459	4.5
89.93469	0.4
101.02261	0.4
153.47902	0.4
177.07315	0.4
199.13322	2.4
219.17493	1.6
251.20174	1.0
260.75714	0.4
261.18604	1.2
279.19656	25.7
280.19995	1.7
283.26318	0.6
347.25876	8.0
348.26184	1.5
363.25418	1.3
365.26944	100.0
366.27271	11.2
370.84979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41925	0.6
57.03324	1.2
58.00476	0.7
59.00954	1.2
59.01250	21.3
67.01757	1.7
69.03336	0.9
71.01248	12.3
71.29417	1.0
71.29765	1.1
72.99174	3.4
73.02819	1.2
73.05886	0.8
75.00733	4.6
75.85338	0.6
85.02812	3.2
87.00755	3.1
89.02316	7.2
93.03341	13.1
96.60228	0.7
99.00763	1.2
101.02323	6.1
101.76401	0.7
110.62650	0.7
111.00782	0.9
111.04417	2.2
113.02334	3.7
116.04943	8.3
117.03323	1.0
119.03390	2.1
119.04964	0.9
121.02814	1.7
128.04959	2.2
130.06535	2.8
134.03632	7.0
137.02335	0.8
142.06520	100.0
143.06834	5.5
144.04454	0.8
145.02791	0.9
146.06044	0.9
147.06337	0.7
149.02359	1.3
155.03395	0.9
158.06021	11.7
173.04474	18.2
186.05521	40.7
187.05899	1.9
191.05574	3.2
193.04990	3.1
204.06612	24.2
204.13145	1.1
205.06819	1.9
237.06157	1.0
246.07703	2.3
306.11948	0.9
337.61533	0.7
366.11914	72.8
366.18405	4.0
367.11917	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	366.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35538	1.0
59.01249	100.0
64.21096	1.1
71.01253	1.2
71.49825	2.0
72.92649	1.1
84.82443	0.9
89.02331	1.6
91.03885	3.8
91.06930	1.0
121.02856	2.7
157.55287	1.1
160.97687	1.1
164.93993	2.9
175.03816	1.1
192.95746	9.3
195.13843	2.2
199.32202	1.1
202.02652	1.7
208.92955	5.2
217.00224	3.2
223.13260	2.0
248.66544	1.0
261.10855	1.2
275.20154	4.6
293.21231	29.9
373.61035	1.0
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
50.34243	0.5
52.42844	0.5
59.01249	3.4
64.31113	0.4
67.55227	0.4
70.16022	1.1
70.16417	0.8
73.12659	0.4
86.06841	0.4
86.88906	0.5
102.03363	0.6
104.04942	0.7
106.06461	1.0
118.02796	0.4
120.04433	1.2
121.02850	0.9
130.06529	1.1
132.04436	1.8
146.06038	4.0
148.07576	49.3
149.07922	2.0
162.05470	0.6
171.10144	0.9
192.95764	1.2
208.93007	0.6
233.18861	0.6
304.03537	0.5
305.21207	1.5
324.23328	0.5
348.13193	0.5
353.48773	0.5
366.24338	100.0
367.24667	13.4
367.29193	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	0.8
59.01247	11.2
66.67480	0.4
68.47414	0.3
69.87777	0.6
69.88197	1.5
71.01256	1.0
71.04888	21.8
83.04904	0.5
89.02328	0.4
91.03883	1.0
91.65531	0.4
96.95917	0.6
97.06454	7.9
98.20492	0.5
133.06482	0.6
163.14847	0.6
175.14850	0.6
181.12227	1.6
201.02518	2.4
205.12257	0.5
206.82419	0.5
207.13863	3.4
217.15970	0.9
219.13809	2.7
232.75615	0.4
232.97514	0.5
233.15306	0.5
235.17072	3.1
247.20612	1.6
273.18567	1.1
291.19653	100.0
292.19986	8.7
365.23221	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.9
59.01252	11.0
69.03323	0.7
71.01250	1.1
71.37840	0.5
71.38196	1.1
83.04884	0.8
89.02332	1.1
91.03870	1.0
93.52455	0.5
97.06474	2.0
101.02386	0.7
110.90749	0.6
111.08028	1.2
119.08591	0.6
121.10118	9.5
122.10464	0.7
125.09594	5.1
132.25055	0.5
141.12770	0.8
147.08031	1.1
153.12761	0.8
165.12695	1.0
185.11766	10.6
186.12120	0.9
189.85541	0.6
190.19768	0.5
195.13849	1.2
197.11787	2.9
201.02489	2.5
206.82297	0.6
209.11732	1.5
211.13310	0.9
223.13318	0.9
247.20670	2.1
263.20175	1.0
267.07681	0.8
273.18637	2.9
291.19659	100.0
292.20007	9.6
325.12109	0.6
365.23077	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	365.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52927	0.5
57.03315	1.4
59.00989	0.7
59.01247	11.5
70.15774	1.0
70.16133	1.9
70.46334	0.5
71.01246	0.8
89.02276	0.6
91.02977	0.5
91.03833	1.0
93.06955	0.9
96.95845	1.0
97.06440	1.2
103.91890	0.6
104.07397	0.5
121.10123	9.0
123.07996	0.7
125.09605	5.2
127.11192	0.7
147.08052	1.6
170.29004	0.5
180.47835	0.5
185.11748	10.3
192.95816	0.6
197.11745	3.3
201.02483	2.0
209.11702	0.8
211.13345	1.7
223.13490	0.7
232.97667	0.7
247.20573	1.2
263.20142	2.2
273.18515	3.0
291.19650	100.0
292.19952	8.7
322.91428	0.9
331.38193	0.6
347.25821	3.0
365.14157	0.6
365.23148	2.0
365.26974	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01582	0.9
64.06881	0.3
70.86105	1.0
91.52215	0.3
92.24673	0.4
96.95883	0.4
109.51063	0.3
121.69897	0.3
217.52466	0.3
267.07501	0.4
333.95233	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01599	0.8
71.01256	1.0
71.57994	0.6
73.02847	0.4
78.89680	0.4
79.74044	0.3
82.46043	0.3
89.02336	0.5
96.95903	0.4
101.02326	0.6
113.02327	0.4
158.14618	0.4
173.04599	0.6
178.97150	0.4
255.79837	0.4
259.80225	0.4
365.19559	0.5
366.15982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.4
57.03338	0.8
58.00485	1.0
59.01248	29.4
60.01614	0.4
65.49725	0.2
69.03365	0.5
71.01250	15.1
71.57919	0.3
71.58585	0.2
72.01624	0.4
72.99163	1.9
73.02507	0.3
73.02810	1.5
83.01251	1.6
85.02817	4.5
87.00787	0.9
89.02312	12.5
92.36867	0.3
94.66998	0.3
95.01253	1.3
96.95878	0.2
99.00777	0.3
101.02317	9.6
113.02324	5.4
113.36092	0.3
119.03384	4.6
125.02399	0.3
127.11178	3.3
139.11198	0.6
141.12790	0.3
143.03450	0.6
145.07642	1.2
155.10652	2.0
157.12242	13.4
158.12631	0.6
160.06334	2.8
161.04498	0.6
161.07112	5.2
171.13870	1.0
173.04549	0.4
173.10718	0.4
175.08748	1.1
179.05617	0.6
185.11848	2.1
187.08720	1.0
187.13394	0.8
189.06621	5.2
199.13335	1.2
201.10295	0.9
203.08264	0.9
203.12851	35.6
204.13226	1.7
229.09731	3.0
230.10115	0.3
245.13928	1.4
277.11951	0.4
305.11450	5.9
306.11832	0.6
365.18118	100.0
366.13815	0.5
366.18491	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	361.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95208	0.9
59.01250	18.9
65.95646	0.9
71.22064	2.1
71.22392	1.3
71.56928	0.9
77.95702	0.9
251.17986	1.1
279.23288	100.0
280.23590	9.7
361.15286	4.7
361.23572	17.3
362.15356	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	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87363	0.4
59.01250	100.0
60.01595	1.3
69.49625	2.0
69.50059	2.1
70.30263	0.5
71.01260	0.9
73.02854	1.0
80.17987	0.4
86.51922	0.5
89.02347	0.5
101.02349	0.6
106.05894	0.6
127.16402	0.6
142.92136	0.5
160.48178	0.6
167.95602	0.5
250.07718	0.5
284.07593	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24370	0.3
50.77467	0.3
54.25938	0.3
59.01249	100.0
60.01582	0.9
70.07059	0.3
70.97976	0.7
70.98312	0.4
71.01261	1.5
73.02847	0.4
81.78590	0.3
85.02837	0.4
89.02325	0.5
93.03349	0.4
95.21888	0.3
96.95870	0.4
101.02354	0.7
101.48734	0.3
120.57488	0.3
265.62256	0.4
321.15649	0.5
363.16644	1.2
363.23901	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.6
65.75726	0.3
69.33647	2.6
80.28629	0.3
81.03328	2.7
85.18560	0.3
122.03605	1.0
135.04306	0.3
196.51962	0.3
196.89919	0.3
277.25665	0.3
321.27939	2.7
361.27496	1.7
363.29034	100.0
364.29379	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	363.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67919	0.2
57.99614	0.2
59.01233	0.3
70.35710	0.7
71.97011	0.2
73.42858	0.2
81.03324	3.2
107.29192	0.2
108.44257	0.2
122.03623	1.2
123.04403	0.3
137.08102	0.2
293.28494	0.8
319.26202	0.2
321.27982	2.4
322.28418	0.3
345.28094	0.3
361.27441	2.0
362.27817	0.3
363.29028	100.0
364.29373	12.9
364.34045	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1657
Annotation	CHEBI:67665
Peak:m/z	Relative Intensity
55.01740	0.4
57.88997	0.5
59.01250	12.9
69.40080	0.4
71.01252	6.4
71.57890	0.7
73.02790	1.8
74.02336	0.8
83.01248	1.0
83.04888	0.4
85.02813	2.7
87.00733	0.4
89.02293	1.7
92.41874	0.5
93.03341	4.9
95.01256	0.8
98.82600	0.4
99.00698	0.6
101.02317	4.8
108.01995	1.3
109.02148	0.6
109.02829	9.3
111.00725	0.6
111.04340	0.8
113.02313	2.1
118.78405	0.4
119.04846	0.9
121.02837	32.7
122.03637	20.4
123.00726	0.5
123.04454	4.3
124.01565	3.4
125.05908	0.6
129.03299	1.8
134.03558	1.8
134.39285	0.4
135.04414	3.7
136.01543	1.0
136.05122	1.5
137.02327	5.9
137.09534	0.5
142.39265	0.4
142.53427	0.5
146.03612	2.2
147.04417	13.3
148.05060	1.1
149.05975	2.5
150.03062	0.8
152.23575	0.5
154.02626	3.7
155.10617	1.4
159.04309	0.7
160.05161	1.1
161.04628	0.6
161.05965	4.3
162.06726	0.8
163.03848	0.5
164.04736	1.0
165.05475	42.9
166.05722	1.6
168.04076	0.5
171.10117	0.5
173.04402	1.1
175.07466	1.4
178.06123	0.8
179.03421	0.7
179.07050	15.0
180.07355	0.7
181.12212	0.9
185.11617	0.6
187.07307	0.4
191.07028	0.7
199.13318	4.3
209.07985	1.3
209.11758	4.2
211.13145	1.3
217.10684	0.8
223.09560	1.5
229.43526	0.4
229.94026	0.4
285.11282	0.6
298.12057	1.0
301.10611	0.9
313.14276	1.5
315.12347	4.4
315.85202	0.5
316.12708	1.3
343.15070	0.6
346.14160	12.6
347.14325	1.3
360.65796	1.4
361.16315	100.0
362.16672	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	361.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.1
59.01253	3.4
69.03313	0.4
69.63131	1.7
69.63531	0.7
71.01244	1.9
73.02803	1.5
81.52764	0.3
83.01229	0.6
83.04897	0.6
85.02824	1.2
89.02319	1.1
93.03318	1.0
98.20485	0.4
101.02335	0.9
109.02836	0.4
111.00784	0.7
121.02788	0.5
123.00758	0.6
125.09627	1.9
127.00309	0.5
127.11166	2.5
131.03395	1.2
139.00291	2.2
141.01678	0.5
149.04433	0.9
154.02615	0.6
155.14314	1.3
165.05432	1.0
165.12729	0.7
167.14348	0.6
170.99640	0.5
171.10178	3.3
173.04469	1.4
183.13832	0.7
209.11766	2.0
211.13353	4.6
229.14407	100.0
230.14737	6.2
354.01035	0.4
361.12723	1.6
361.18457	4.6
361.22485	1.6
361.26031	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	361.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
69.48067	12.9
71.01259	24.6
71.29564	22.4
71.80312	12.6
75.92596	12.7
91.85080	13.5
101.02284	20.1
106.43929	11.6
121.02844	20.4
128.41139	11.4
149.09277	10.9
174.99109	13.5
183.13826	17.5
185.14336	14.2
187.56949	13.1
202.92757	23.5
202.98601	33.1
336.74689	12.5
361.16486	59.8
361.28598	21.9
371.31085	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	361.1656
Annotation	(+)-Secoisolariciresinol
Peak:m/z	Relative Intensity
59.01252	0.8
70.96307	0.4
70.96664	0.2
84.46157	0.3
85.02776	0.3
91.01778	0.5
93.03335	3.6
108.02048	1.6
109.02835	10.5
119.04902	1.2
121.02842	33.1
122.03638	18.9
122.04555	0.5
123.00784	0.4
123.04458	3.9
124.01550	1.7
129.03394	1.2
134.03615	1.4
135.04420	3.0
136.01579	0.3
136.05209	3.6
137.02338	4.4
138.03116	0.5
143.04904	0.6
145.02768	0.3
145.06529	0.5
146.03664	3.0
147.04430	13.1
148.05270	1.4
149.06018	2.0
150.03122	1.4
151.03850	0.7
153.01773	0.4
154.02655	2.2
159.04433	1.7
160.05196	3.0
161.02359	0.6
161.05984	13.1
162.06764	4.7
163.03920	0.7
163.07182	0.5
164.04703	1.8
165.05482	24.3
166.05812	0.9
168.04137	1.0
169.56258	0.3
172.05257	0.4
173.04575	0.4
173.05963	2.8
174.06790	1.3
175.03925	0.7
175.07567	3.8
176.04694	1.1
176.08315	1.5
177.05435	1.0
177.09029	0.5
178.06242	0.9
179.07053	10.5
180.07416	1.4
189.09145	0.5
190.06303	0.5
191.07053	1.2
193.04974	0.4
193.08649	0.3
200.03200	0.3
208.07341	0.3
209.08147	0.9
212.09166	0.3
213.12531	0.5
223.09711	0.9
231.13387	0.5
235.09410	0.3
265.08801	0.3
268.07471	0.9
280.11002	0.3
282.09006	0.8
283.09726	1.1
285.11432	0.3
297.11282	2.0
298.12061	7.2
299.12625	0.8
301.10703	0.5
311.12860	2.6
313.14444	19.0
314.14807	1.9
315.12427	2.9
316.13004	1.1
327.12231	1.7
328.13000	0.7
331.11783	0.5
331.15442	1.0
343.15454	4.3
344.16006	0.4
345.13492	0.3
346.14194	10.3
347.14587	1.0
361.16559	100.0
362.16956	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	359.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17547	0.1
57.03323	1.0
59.01245	1.2
59.90364	0.1
69.03325	0.6
69.96033	0.7
71.01250	0.2
74.44717	0.1
77.54258	0.1
85.02832	0.1
96.95872	0.1
105.52075	0.1
111.08028	0.3
119.54662	0.1
125.09586	0.1
127.11179	0.6
137.09621	0.3
139.11147	0.1
141.12746	0.4
149.04465	0.1
155.10696	0.3
155.14314	0.2
157.12288	0.2
174.99171	0.2
183.13808	0.4
185.11728	0.6
186.26826	0.1
217.00252	0.7
227.12805	0.4
267.23267	0.3
268.14246	0.1
269.24710	0.2
271.22751	0.3
276.93152	0.1
295.22766	0.4
310.95203	0.1
311.22253	0.7
311.25934	0.9
313.23849	6.8
314.24100	0.6
325.23837	0.4
339.25433	0.2
341.27023	1.6
342.27170	0.1
357.26541	1.3
358.26843	0.2
359.27997	100.0
360.28351	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	360.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	10.9
63.60193	0.5
64.36092	0.5
71.01255	1.8
71.57807	1.0
76.78472	0.5
83.01273	0.6
85.02843	1.5
86.74219	0.6
87.00749	0.8
87.36625	0.5
93.03346	5.2
95.77122	0.5
101.02347	0.9
108.02016	0.8
109.02835	2.3
116.95842	0.6
121.02837	6.2
122.02423	0.5
122.03607	2.7
123.03136	4.8
123.04385	1.1
133.02820	0.6
135.04405	1.8
136.05174	1.0
137.02339	1.7
138.05498	100.0
139.05869	3.3
146.03658	2.8
147.04425	2.9
152.07069	0.8
155.03404	0.6
160.05275	1.2
161.02322	3.1
161.04643	0.9
161.06006	3.1
162.06735	1.0
164.04732	2.3
165.05452	6.2
173.04480	5.3
175.07652	1.1
179.03455	1.0
179.07060	6.1
191.05540	5.0
192.98715	0.6
203.08089	0.6
229.71611	0.7
277.73962	0.6
282.09647	1.4
298.12161	1.2
300.10858	2.0
313.14539	3.5
315.12320	0.8
318.15619	0.7
343.15637	1.5
346.14203	1.6
360.16330	0.6
361.12061	1.1
361.16562	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60367	2.9
59.01234	9.6
71.01246	9.1
71.57146	4.4
72.00761	3.2
82.02857	50.8
84.04427	7.0
85.02831	5.9
86.02350	6.0
87.00761	4.0
93.03339	18.7
98.02321	3.4
99.56636	3.1
101.02309	4.4
101.07083	4.3
109.02819	8.4
109.03970	7.0
112.03990	4.1
121.02804	22.3
122.03606	11.3
123.04437	4.3
124.93200	3.5
126.01869	4.4
127.05009	55.1
128.03427	100.0
135.04393	4.8
135.34393	3.2
136.05176	3.4
137.02333	5.9
138.05481	26.3
141.10239	22.1
141.11172	4.0
142.08649	8.5
142.12209	3.6
144.02890	3.9
146.03566	4.1
147.04396	15.1
148.71420	3.7
154.02623	5.8
160.64218	3.3
161.05943	8.4
164.04617	4.4
165.05505	21.0
168.10208	57.2
169.13470	5.2
173.04480	13.2
173.05820	3.9
179.07051	14.2
180.06596	6.2
182.83456	3.1
185.12883	40.8
191.05508	17.8
195.11282	7.6
213.12378	90.5
231.09976	3.9
231.13438	87.7
232.13713	5.8
285.11316	4.0
298.17706	7.9
313.14444	12.4
324.15518	20.9
342.16629	52.8
346.14172	9.6
360.09497	4.1
360.17670	38.4
361.16519	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	361.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01580	0.6
70.91610	1.8
71.01258	0.6
72.51433	0.7
98.50008	0.6
121.02847	0.9
127.11217	0.7
169.27829	0.6
191.05562	1.1
320.36963	0.6
336.89050	0.7
361.16589	0.9
369.82834	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1655
Annotation	(+)-Secoisolariciresinol
Peak:m/z	Relative Intensity
69.49684	2.3
69.50112	2.9
81.54425	0.6
91.01775	1.1
93.03334	4.6
98.20451	1.3
105.03317	0.6
108.02059	3.5
109.02138	1.1
109.02846	18.0
111.04376	0.6
113.91884	0.7
119.04924	1.6
121.02842	51.6
122.03639	37.8
122.46865	0.7
123.00789	1.0
123.04445	7.9
124.01579	3.3
129.03325	2.2
134.03609	3.3
135.04420	6.6
136.01576	1.0
136.05217	7.1
137.02353	6.8
143.04927	0.7
146.03627	3.2
147.04420	25.0
148.05168	2.8
149.05991	2.9
150.03117	2.0
153.01845	0.8
154.02632	4.5
159.04391	1.9
160.05240	4.6
161.05983	22.1
162.06778	10.7
163.03915	1.3
163.07259	0.9
164.04683	2.5
165.05484	65.8
166.05829	4.7
168.04205	2.0
173.05968	4.3
174.06787	2.9
175.03983	0.7
175.07593	7.0
176.04723	1.4
176.08350	4.0
177.05386	0.9
178.06267	2.0
179.07053	20.8
180.07379	1.6
189.09108	1.0
190.06223	1.9
191.07036	3.3
193.08720	1.0
194.94424	0.7
209.08107	2.3
223.09729	1.8
268.07394	1.1
283.09811	3.9
285.11331	1.5
297.11432	3.7
298.11996	11.3
299.12683	0.8
301.10941	0.8
311.12875	2.8
313.14438	23.1
314.14807	1.6
315.12418	5.9
316.13129	2.9
321.44986	0.6
327.12335	1.1
331.15509	1.2
343.15463	5.7
346.14194	13.7
347.14590	1.2
361.16565	100.0
362.16986	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	359.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	24.6
70.60127	1.1
154.84680	0.4
245.71353	0.4
266.95056	0.4
269.18948	0.4
277.21710	100.0
278.22076	9.0
323.51501	0.4
359.22040	18.4
360.22427	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	359.1499
Annotation	Piperphilippinin VI
Peak:m/z	Relative Intensity
59.01269	0.8
66.52230	0.5
82.98495	0.6
93.03329	1.4
98.19783	1.7
108.02061	1.0
109.02821	1.0
117.24316	0.6
119.04868	0.6
120.02087	0.7
121.02836	12.8
121.03640	0.8
122.03654	3.3
123.00789	2.1
123.04387	1.5
124.01563	1.0
130.04158	0.7
131.04918	0.9
135.04517	1.2
135.64610	0.6
136.01624	0.8
136.05205	1.6
137.02333	3.2
137.06023	1.3
139.04031	0.7
143.04892	1.0
145.02856	4.2
146.03625	1.8
147.04413	10.1
149.02354	2.0
149.06020	0.6
150.03127	7.7
151.03854	0.7
153.05498	1.5
158.03629	5.6
159.04407	19.0
160.05203	46.1
161.02409	1.8
161.06000	15.7
162.03133	1.7
163.03922	14.6
164.04698	8.1
165.01866	0.8
173.02406	1.5
173.04536	1.1
173.05960	6.7
174.03143	5.9
174.06703	0.7
175.03928	23.6
175.07552	38.2
176.04723	10.5
176.07956	2.3
177.05467	11.1
178.06262	11.4
179.03424	1.3
180.04182	10.1
181.04633	0.6
188.04745	4.2
189.05498	9.1
190.06271	22.3
191.03374	1.0
191.07059	19.0
192.04170	1.1
192.07744	2.0
193.04967	9.6
193.08630	3.6
194.05742	4.8
203.07088	2.0
205.08618	18.2
206.08899	1.1
207.06546	6.1
208.07329	12.7
213.14964	0.7
219.26991	0.6
222.08940	1.4
223.09685	2.3
241.14502	1.7
286.98441	0.7
299.12732	0.9
314.11691	1.1
329.13919	100.0
330.14261	8.6
340.97726	0.6
341.14218	0.7
344.12613	3.9
359.14981	41.7
360.15469	4.4
376.19928	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.1
58.00458	4.5
59.01247	11.0
63.52602	1.0
67.01762	1.8
69.03311	2.0
71.01243	6.6
71.58472	1.6
72.99154	2.1
79.34213	0.9
79.70548	1.0
83.01281	1.5
83.04892	1.5
85.02821	5.8
87.00733	6.3
89.02312	1.6
93.03324	7.8
95.04951	1.5
96.95858	1.1
97.02782	1.2
101.02317	2.2
107.04912	1.4
108.02045	10.0
109.02851	2.2
109.06444	2.0
111.00725	1.1
111.04394	1.8
119.04800	1.2
121.02828	4.5
122.03589	2.7
123.00748	2.3
123.04421	7.3
124.01542	2.4
129.01753	1.3
133.02837	7.0
134.03647	7.1
135.04430	7.5
136.01485	1.8
137.02307	4.2
137.06006	1.5
138.03099	2.6
146.03610	3.5
147.02884	2.9
147.04393	4.1
148.05159	2.9
148.23714	1.1
149.02275	1.2
149.05942	3.0
150.03165	1.2
153.05432	1.1
155.03336	1.5
159.04419	2.5
160.05177	5.1
161.02325	1.3
161.05965	4.0
162.03008	1.1
162.06754	3.6
164.04680	5.3
165.05431	2.6
165.12723	3.7
167.10715	1.6
167.14287	1.2
171.10156	1.2
172.05217	2.4
173.03046	2.1
173.04492	20.9
173.05975	3.5
174.04752	1.3
175.07556	4.9
176.03896	4.3
177.01784	3.6
177.05457	2.6
179.03444	7.7
179.06953	3.1
179.14337	2.0
181.12180	1.2
183.13823	4.2
185.15431	1.3
187.07523	1.4
189.05482	3.6
190.06357	2.7
191.05511	5.5
193.04984	2.6
193.12231	1.3
195.13745	2.6
197.11699	1.9
205.08612	4.2
205.12216	1.8
209.11806	2.1
211.13329	41.7
212.13704	3.1
213.14883	35.1
214.15088	1.8
223.09796	1.8
223.13319	9.1
225.14923	1.6
233.11688	2.9
235.09764	1.6
235.13304	4.9
241.14407	100.0
242.14746	7.6
243.15868	2.4
247.13341	1.3
251.10429	2.1
251.12846	27.4
252.13203	2.0
253.14398	12.1
259.13397	10.4
263.12790	3.1
265.14560	1.5
269.13840	4.0
271.15469	2.7
272.06000	1.7
277.14441	14.9
293.14169	2.1
296.10068	1.6
299.12775	3.8
305.13864	7.4
311.12769	2.0
317.19815	1.5
323.14969	2.6
329.10529	1.3
329.13977	13.1
330.90454	1.2
341.13882	3.0
344.12637	2.0
351.07114	1.8
359.15085	13.3
359.20859	1.8
360.15652	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	358.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	8.9
70.02858	2.5
71.01249	5.6
71.34890	2.4
72.00775	5.2
73.02804	4.5
74.02341	2.6
82.02382	1.3
82.02854	35.4
83.01244	2.2
84.04419	3.9
85.02806	4.0
86.02351	4.1
93.03319	3.2
95.15876	2.2
98.02354	3.6
98.20441	2.3
100.03912	3.6
102.05463	2.2
107.02492	1.6
108.09881	1.8
109.03949	4.9
116.80872	1.7
125.94051	1.6
127.05029	39.1
128.03423	100.0
130.08656	2.1
133.02785	3.0
133.86484	1.9
135.04399	5.9
138.09047	1.9
139.08655	10.1
140.07106	2.4
144.02914	18.2
145.06091	7.1
146.04515	3.3
165.10269	2.4
166.08659	23.6
167.11763	3.9
173.04439	4.8
179.03441	3.3
183.07664	1.9
183.11403	9.6
191.05516	5.9
195.11336	6.4
211.10812	97.8
212.11153	4.4
229.11887	56.0
230.12172	4.4
322.14044	22.0
340.11017	1.7
340.15067	31.1
358.16141	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	9.8
71.01237	2.2
71.07494	2.4
71.24919	1.3
73.02776	1.8
85.02830	1.5
85.12074	1.2
96.95833	1.4
101.02303	2.4
108.02030	1.6
109.02837	2.2
113.02308	2.0
121.02858	11.6
122.03611	2.6
123.00795	1.7
124.01558	1.8
135.04391	2.4
136.05142	1.9
137.02299	6.3
138.03026	1.6
140.75233	1.3
145.02869	1.7
146.03642	1.5
147.04407	7.4
149.02287	2.0
150.03139	10.7
151.03914	2.1
158.03618	8.1
159.04430	19.2
160.05208	54.0
161.02304	2.3
161.05966	21.2
162.03195	2.4
163.03928	10.1
164.04710	7.3
173.04567	2.9
173.06023	6.3
175.03926	3.0
175.07562	40.0
176.04869	1.7
176.07930	2.5
177.05496	10.2
178.06299	8.7
190.06247	1.7
191.07111	1.3
193.05031	1.4
193.08624	2.7
329.13922	100.0
330.14166	11.5
359.11169	2.6
359.15051	3.4
359.20483	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	357.2643
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
54.54762	0.2
57.03309	0.7
57.40786	0.3
58.00468	0.6
59.01244	0.9
69.03310	1.2
71.04889	0.4
71.22117	0.4
87.04404	0.4
97.06465	0.4
99.08023	0.4
102.69281	0.3
106.20937	0.2
121.02840	6.8
122.03163	0.7
123.08039	0.4
125.09613	0.4
133.14928	0.3
139.11130	0.6
141.12723	0.7
155.10661	0.4
157.12242	2.0
169.12247	1.7
171.10219	0.3
181.06496	0.6
183.13847	0.6
185.11723	2.4
199.13310	0.3
201.11273	0.4
215.12817	1.2
225.05545	0.4
251.20073	0.3
269.21228	0.7
313.07278	0.6
313.27277	0.3
321.24426	0.8
324.15967	0.3
339.25363	4.0
340.25778	0.5
355.24918	3.7
357.06357	1.8
357.26431	100.0
358.26779	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	357.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	0.6
57.83692	0.4
59.01249	100.0
60.01587	1.0
67.34389	0.4
68.00281	0.4
68.08987	0.4
69.75675	2.4
71.01250	5.8
72.08651	0.4
73.02825	1.4
83.01295	0.4
85.02827	2.9
87.00729	0.5
89.02316	1.2
95.01271	0.8
99.00735	0.6
101.02311	3.2
113.02343	1.9
127.97090	0.4
131.33620	0.4
143.10898	0.4
152.57063	0.4
159.02972	0.7
161.04466	3.3
171.10213	0.4
315.18164	4.2
357.26456	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	357.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.5
57.03337	0.4
59.01251	100.0
60.01594	0.8
64.45962	0.3
69.03304	0.3
69.75425	2.0
71.01255	4.9
73.02818	1.7
79.38858	0.3
83.01298	0.7
85.02811	2.8
89.02325	1.0
93.03562	0.3
93.92290	0.3
99.00808	0.6
101.02326	2.9
103.95497	0.3
113.02331	1.9
121.86591	0.3
143.03407	0.4
159.02911	0.3
161.04469	2.7
175.00444	0.4
181.51732	0.3
202.27106	0.4
315.18195	1.2
332.42154	0.4
357.26447	10.1
358.26996	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1341
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
59.01243	8.2
71.01260	2.9
73.02837	1.3
75.26306	1.1
81.08431	1.0
85.02816	1.8
87.00761	1.1
87.37386	0.9
93.03324	1.3
94.98714	1.0
96.95890	1.0
101.02281	1.1
108.02048	21.4
113.02339	2.1
121.02866	3.6
121.06474	2.7
123.04405	35.5
123.05291	2.1
124.04852	1.0
131.04886	1.8
132.02005	1.0
134.03616	1.4
135.04390	1.2
136.01549	0.9
145.02861	3.5
146.03654	2.2
147.04411	3.7
148.05199	8.9
149.02362	4.5
149.05980	8.0
150.03143	8.8
151.03940	1.6
158.03645	5.2
159.04436	16.4
160.05225	22.5
161.02365	2.6
161.05922	4.7
162.03136	4.1
163.03841	2.2
163.07562	1.2
164.04674	3.3
165.05484	4.8
171.19788	1.0
173.06004	2.0
174.03125	8.8
174.06699	1.5
175.03918	1.5
175.07573	7.1
176.04726	7.6
176.07759	1.0
177.05484	83.3
178.06253	21.9
179.06691	1.4
180.04211	2.3
181.12297	1.4
187.03944	14.3
188.04713	21.2
191.07062	29.6
192.04198	4.3
192.07819	11.9
193.08519	2.9
194.05780	1.2
195.13805	1.5
201.05481	1.9
203.07066	100.0
204.07439	5.2
205.04927	2.3
206.05750	20.6
210.05255	8.4
216.07838	1.5
219.06607	3.0
220.07411	5.6
221.08128	71.7
222.08479	3.8
224.06821	18.3
225.07317	1.1
233.06068	1.2
233.08186	2.3
235.07666	1.3
263.07153	3.9
269.08258	1.2
278.15378	1.0
279.06592	2.5
280.07346	2.8
281.08112	4.8
283.09857	1.7
291.06650	3.6
294.09149	1.2
295.09692	2.2
296.10532	2.1
297.07581	2.4
298.08517	1.8
299.12946	2.3
306.08960	1.1
309.07645	3.8
311.12927	3.3
313.10587	5.0
321.17053	1.5
324.09973	4.9
327.08713	1.8
327.12265	10.1
328.12646	1.7
339.12372	37.0
340.12613	3.0
357.09995	1.4
357.13458	29.3
357.19064	3.4
357.26498	3.1
358.13687	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	357.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30306	2.3
54.40601	2.6
59.01224	4.2
59.22231	2.5
61.76563	2.6
66.03362	2.8
70.01932	11.3
70.02847	4.9
70.99177	2.3
71.01255	3.7
72.00780	12.9
75.00738	5.8
78.95774	18.7
82.02855	5.7
85.02834	2.9
86.02345	11.3
94.02862	4.1
96.00791	5.9
96.04419	8.5
96.95892	6.4
96.96831	24.8
97.02812	4.2
98.02348	7.8
99.00784	3.4
100.03921	3.2
115.04952	2.4
122.06019	2.8
122.78949	2.3
123.04383	3.7
124.04015	2.7
124.07562	4.3
135.04454	3.6
138.05464	2.8
143.04498	3.5
144.02931	24.4
149.07077	2.7
157.41052	2.5
167.08139	4.7
170.04523	7.0
179.08162	2.5
180.06578	2.9
184.20248	2.6
197.09196	5.7
197.28816	2.4
228.16475	2.4
239.34880	2.4
241.08231	27.6
242.06416	2.8
257.07663	3.4
259.09329	100.0
260.09698	5.6
340.09518	2.5
357.09720	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	357.1191
Annotation	Synargentolide D
Peak:m/z	Relative Intensity
56.22773	2.2
59.01248	100.0
62.63955	2.4
68.74857	2.3
71.01250	64.9
71.57545	3.7
72.99177	4.7
73.02817	57.6
74.02316	3.1
74.52597	2.7
83.01257	15.8
85.02821	10.7
87.00746	4.7
89.02318	17.9
91.90504	2.5
95.01250	2.8
101.02324	47.2
113.02332	12.5
119.03376	5.0
131.03397	3.9
134.03644	3.2
135.03413	5.4
135.04413	91.3
136.04860	2.6
148.38750	2.3
151.03914	7.6
153.05449	6.4
161.04422	4.6
162.03152	2.8
180.04272	5.0
191.05547	5.6
193.04930	3.6
195.02934	4.6
195.06596	4.0
226.11691	2.9
235.26839	2.6
251.61272	2.5
297.09802	31.2
298.09674	2.8
315.10858	74.0
316.11017	7.4
357.11993	35.6
358.11932	5.2
358.19626	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	357.1191
Annotation	Synargentolide D
Peak:m/z	Relative Intensity
52.08117	2.5
53.67367	2.1
54.22357	2.0
54.58463	2.1
55.01737	2.3
56.45720	1.9
56.71811	2.2
58.00470	2.6
59.01250	74.2
59.65168	2.1
68.59167	2.3
71.01257	51.7
71.57447	2.0
73.02818	47.7
74.02328	3.2
83.01265	12.2
85.02821	6.0
87.00757	4.3
88.13969	2.2
89.02319	17.3
93.03330	2.3
95.01243	2.8
99.00767	2.9
101.02324	37.6
109.08703	2.2
113.02335	16.2
118.25970	2.2
119.03371	9.2
123.04419	21.2
127.41682	2.2
134.03641	2.3
135.04408	100.0
136.04749	5.1
136.26831	2.0
139.61530	2.4
143.03394	3.8
151.03909	5.4
153.05484	38.0
161.04466	6.7
173.04515	5.0
191.05463	5.6
195.02834	3.4
195.06491	3.4
195.45239	2.2
219.98778	2.5
243.09790	3.5
297.09790	41.3
311.69073	2.3
315.10843	86.3
316.11099	5.6
357.08188	3.0
357.11884	39.7
357.21527	5.3
358.11841	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	357.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	13.4
71.01266	5.9
71.15266	6.4
71.15618	9.6
72.00758	12.9
72.99176	6.3
78.95783	9.7
80.38227	5.1
96.04387	5.0
96.95866	12.1
96.96827	20.3
98.02343	11.0
108.02056	10.5
135.04364	9.5
136.04735	4.9
144.02901	17.4
150.05510	6.0
152.01010	7.0
153.05429	8.9
193.05870	8.8
195.06456	7.3
204.17795	4.5
241.08194	14.2
259.09332	100.0
278.05951	5.2
315.10916	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	357.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	7.0
60.67821	7.3
61.18629	8.0
72.00783	32.9
76.75352	8.2
78.95779	40.0
96.04435	10.4
96.95874	41.4
96.96829	50.2
98.02342	11.3
112.98431	7.6
116.03411	7.3
132.37450	7.5
143.04512	10.0
144.02913	47.3
150.05550	10.1
167.08203	9.4
241.08324	21.3
259.09317	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	355.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10531	0.4
51.97152	0.4
53.63487	0.4
57.03313	1.7
59.01250	1.7
69.03320	0.7
71.01249	1.0
71.04893	1.0
71.58501	0.6
73.02810	1.2
80.52541	0.4
83.01273	0.5
85.02806	0.5
85.06425	0.6
89.02299	0.6
97.06445	0.8
99.00759	0.5
99.08069	0.4
101.02374	0.6
113.02354	0.8
113.06037	0.5
113.09667	0.4
119.04895	0.4
123.08057	1.3
125.09624	2.5
127.11163	0.9
129.61368	0.4
137.09633	0.5
139.07623	0.4
139.11140	1.1
141.09094	0.6
141.12759	0.6
161.04370	0.6
171.10208	3.9
171.13873	0.6
185.11768	4.1
191.05548	0.5
198.47836	0.4
199.13326	1.2
211.13377	0.6
213.14865	0.9
214.12045	0.6
225.11078	0.4
237.92722	0.5
239.16588	0.5
242.68724	0.4
267.19717	0.7
278.51620	0.5
295.09958	0.5
295.22821	0.8
307.22702	0.6
311.22195	0.8
311.25867	0.4
325.23782	8.4
326.24146	0.9
337.23721	1.8
353.23532	0.8
355.24866	100.0
356.25223	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	355.2487
Annotation	13,14-dihydro-15-keto-PGF1alpha
Peak:m/z	Relative Intensity
51.10531	0.4
51.97152	0.4
53.63487	0.4
57.03313	1.7
59.01250	1.7
69.03320	0.7
71.01249	1.0
71.04893	1.0
71.58501	0.6
73.02810	1.2
80.52541	0.4
83.01273	0.5
85.02806	0.5
85.06425	0.6
89.02299	0.6
97.06445	0.8
99.00759	0.5
99.08069	0.4
101.02374	0.6
113.02354	0.8
113.06037	0.5
113.09667	0.4
119.04895	0.4
123.08057	1.3
125.09624	2.5
127.11163	0.9
129.61368	0.4
137.09633	0.5
139.07623	0.4
139.11140	1.1
141.09094	0.6
141.12759	0.6
161.04370	0.6
171.10208	3.9
171.13873	0.6
185.11768	4.1
191.05548	0.5
198.47836	0.4
199.13326	1.2
211.13377	0.6
213.14865	0.9
214.12045	0.6
225.11078	0.4
237.92722	0.5
239.16588	0.5
242.68724	0.4
267.19717	0.7
278.51620	0.5
295.09958	0.5
295.22821	0.8
307.22702	0.6
311.22195	0.8
311.25867	0.4
325.23782	8.4
326.24146	0.9
337.23721	1.8
353.23532	0.8
355.24866	100.0
356.25223	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	355.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.1
57.34619	0.9
59.01259	5.6
70.26713	3.5
71.01260	6.8
73.02820	5.9
87.00749	1.3
89.02312	22.6
101.02343	1.5
114.26563	1.1
123.08000	1.0
127.69576	0.9
131.03419	5.8
133.10155	1.5
134.03555	1.4
135.04449	1.1
135.11694	15.9
136.12039	1.4
149.04456	100.0
150.03113	1.7
150.04802	2.4
151.03868	3.0
161.09610	1.1
164.04736	1.2
173.04498	1.7
179.10689	85.7
180.10986	5.2
223.06061	1.5
223.09677	11.4
268.15421	1.0
355.13882	4.0
355.24866	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	355.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	6.0
65.28389	1.0
69.28405	10.3
71.01247	5.9
73.02804	4.5
78.50434	0.9
85.02795	1.1
87.00748	2.1
89.02310	20.1
93.03323	1.9
97.06403	1.0
99.04404	1.5
101.02330	1.5
103.03860	1.3
131.03363	6.5
133.10086	1.5
135.04367	1.7
135.11700	16.7
136.12022	1.2
137.02209	1.0
139.11189	1.2
149.04451	100.0
150.04788	2.0
151.03889	1.6
151.07587	1.4
161.09607	1.7
164.04732	1.2
173.04434	1.6
179.03419	1.5
179.10689	93.1
180.11000	5.9
185.11708	2.1
191.05460	1.4
209.15244	1.2
211.16904	2.7
215.12785	1.8
223.06235	1.4
223.09717	15.9
335.07904	1.1
353.22861	1.1
355.14127	7.1
355.20764	1.3
355.24863	23.1
356.25024	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	355.2276
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
50.70065	1.0
59.01240	2.4
69.66373	4.9
69.66785	2.4
85.02831	1.7
87.91732	0.9
88.27010	0.9
103.31332	1.0
107.04926	1.4
108.26943	1.0
108.78466	1.2
109.02839	2.9
110.30188	0.9
122.03625	9.4
127.07507	1.5
135.04404	24.1
136.01567	1.4
136.04785	1.3
137.09578	1.0
139.98601	1.1
146.81966	1.0
147.08051	2.2
148.05246	1.0
149.06033	1.3
149.09645	6.0
151.07564	2.7
154.02608	1.6
161.09584	8.2
163.07556	3.0
163.11189	55.8
164.08330	14.9
164.11513	2.8
165.09109	9.0
177.09117	63.6
178.09901	18.9
179.10680	74.0
180.10982	5.7
183.10254	2.8
187.11160	1.2
191.10704	11.9
193.08623	8.0
274.10330	1.2
280.14706	3.3
281.01685	1.0
298.15720	49.2
299.16052	5.9
307.16916	2.0
313.21945	1.4
322.19345	1.1
337.21716	42.9
338.21967	5.8
340.20380	77.5
341.20819	7.9
344.89700	1.0
355.22760	100.0
355.32031	2.4
356.23068	12.9
357.44418	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1036
Annotation	1-O-Feruloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.67172	0.8
59.01245	12.2
64.27293	0.7
71.01251	7.8
71.57346	1.1
72.99197	1.0
85.02808	2.5
85.42323	0.7
87.00719	1.1
89.02301	4.6
92.57107	0.9
93.03345	0.9
100.92612	0.8
101.02329	4.0
113.02316	2.6
119.03354	1.4
121.02821	2.2
131.03386	1.0
132.02060	15.0
133.02843	1.0
134.03624	18.9
135.04398	1.7
144.02907	0.9
147.04387	2.1
149.02341	11.5
149.05991	6.0
151.03899	5.5
154.13391	0.7
160.01569	77.0
161.01942	2.6
163.03931	1.3
164.04677	7.4
173.04474	1.8
174.03133	1.0
175.03920	100.0
176.04381	5.7
191.05498	4.2
191.07080	3.4
192.05841	1.5
193.04959	27.8
194.05365	0.8
202.02515	1.3
207.06470	1.7
217.05040	5.4
223.06081	11.4
230.45169	0.9
235.06039	5.7
265.07166	3.1
295.08221	5.6
355.10318	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	355.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15169	0.5
61.01316	0.5
65.98294	0.5
66.58006	0.5
69.03312	0.5
70.70754	1.7
75.53466	0.5
89.03838	1.1
91.05390	0.8
93.03368	0.7
95.22065	0.5
104.67459	0.5
113.06385	0.5
117.03360	1.8
119.04903	1.8
121.02839	17.1
122.03172	0.8
132.02066	2.1
135.04399	1.2
147.04405	6.6
149.02344	100.0
150.02713	3.5
163.03908	0.9
164.04697	61.6
165.05038	2.3
175.83804	0.5
179.07027	3.5
182.78088	0.5
217.03911	0.5
223.06064	76.6
224.06425	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	355.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95782	0.4
65.00180	0.4
70.59118	1.2
72.88306	0.3
73.02812	1.0
75.69805	0.3
79.39497	0.3
87.00752	0.4
89.02305	1.7
89.03850	0.9
89.54144	0.4
91.05389	0.9
93.03364	0.8
93.66302	0.4
96.52391	0.3
113.04982	0.4
117.03333	1.2
119.04923	1.4
121.02837	18.2
122.03159	0.5
131.03412	0.8
132.02058	2.0
135.04416	0.5
147.04399	5.7
149.02341	100.0
149.04381	4.5
150.02675	3.8
163.03873	1.5
164.04691	55.4
165.05009	2.8
169.04945	0.4
179.07054	2.8
193.01382	0.5
208.03644	0.9
211.51570	0.4
223.06056	63.3
224.06351	3.1
248.57922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1184
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
57.03313	1.5
59.01230	1.8
65.42230	0.7
68.35087	0.6
71.01240	1.9
71.58201	1.2
71.69061	0.5
73.02831	0.7
79.82925	0.7
85.02820	1.0
87.04393	1.3
97.02841	0.7
99.04375	1.9
108.02105	0.7
113.02269	0.7
119.04939	4.7
121.02835	0.9
131.04919	1.0
135.04352	1.0
147.04425	11.6
148.05157	1.3
149.02336	2.4
150.03160	1.8
155.10574	0.6
161.05949	1.1
163.03809	1.3
164.04683	1.6
175.03917	91.1
176.04698	43.0
177.05103	2.1
179.27875	0.8
184.70998	0.7
187.03770	0.8
188.04703	1.6
189.05493	7.0
190.06288	26.1
191.06779	1.4
196.67218	0.6
204.04218	20.3
205.04559	1.5
208.03709	19.1
209.04091	1.0
216.04269	0.9
217.05019	14.9
218.05768	13.8
219.06567	42.3
220.06900	2.9
222.05286	31.1
223.05865	1.6
223.07718	1.2
231.06535	1.6
235.07384	1.0
251.07246	1.3
267.06601	3.0
268.07278	1.2
278.05731	0.7
279.06580	6.2
291.06589	1.1
293.08340	0.8
294.08975	2.3
295.06070	6.0
296.06897	11.6
297.07382	1.4
307.06100	6.9
309.07751	0.8
310.08536	2.3
311.09167	13.6
312.09769	2.2
322.08380	5.6
325.10828	3.4
327.12390	3.5
337.10883	3.5
340.09348	1.8
355.11853	100.0
355.24753	9.0
356.12186	10.5
356.24890	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0879
Annotation	GlcAbeta1-6Galbeta
Peak:m/z	Relative Intensity
50.76848	2.5
55.01733	3.7
57.03322	8.0
58.00471	4.2
59.00637	2.4
59.01252	63.9
68.99693	5.2
69.03324	5.0
71.01254	94.2
71.56643	3.2
72.99178	46.4
73.02818	19.4
75.00743	26.3
83.01263	5.7
85.02818	40.6
87.00752	100.0
88.01133	3.3
89.02319	50.3
89.02833	4.6
95.01271	7.2
97.02822	6.3
99.00744	32.5
100.98678	3.9
101.02311	53.6
103.00262	12.3
105.01814	9.1
111.00798	5.6
113.02335	58.9
115.00275	23.6
117.01824	34.9
119.03385	6.9
125.02350	7.9
127.00240	4.7
129.01846	18.8
131.03410	7.0
133.01295	3.7
139.00246	3.1
139.03970	3.3
141.01836	10.2
143.03351	6.7
145.01315	8.2
147.02924	10.6
153.01944	4.0
156.89575	2.9
157.01328	8.2
159.02885	10.6
161.04430	3.8
163.02448	2.6
175.02403	55.6
175.84383	2.6
177.03978	18.8
179.05466	7.3
192.51443	2.8
193.03525	3.6
207.05051	4.4
235.04477	3.6
265.05618	7.4
315.23444	2.4
325.07861	3.1
340.24518	2.8
355.08737	67.1
355.12772	6.3
356.09149	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	355.1034
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
59.01251	6.6
71.01257	4.2
71.57516	0.7
71.57936	0.6
77.33738	0.4
77.96841	0.4
85.02825	1.1
89.02305	2.7
93.03337	0.6
98.42114	0.5
101.02313	2.9
103.12697	0.4
109.02880	0.6
113.02317	2.2
119.03396	0.9
121.02892	0.5
125.28852	0.5
132.02065	10.9
134.03621	8.7
137.02388	0.5
147.04449	0.6
149.02333	1.8
149.04424	0.5
149.05968	2.7
151.03873	0.6
160.01569	53.0
161.01953	2.3
164.04680	1.0
174.03116	0.5
175.03918	100.0
176.04236	4.2
178.02582	1.1
191.03400	0.6
191.05507	1.7
191.07112	2.1
192.00522	0.6
192.05902	1.2
193.01454	1.1
193.04924	19.2
193.59581	0.4
194.05318	0.8
202.02750	0.7
207.06540	0.8
217.04997	6.0
221.08104	1.0
223.06096	1.7
235.06096	3.7
265.07089	0.9
283.96301	0.4
295.08206	2.0
313.58896	0.4
355.06378	0.6
355.10300	7.4
356.10440	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.212
Annotation	Guayulin B
Peak:m/z	Relative Intensity
58.23054	0.2
59.01244	0.5
79.51304	0.3
85.02833	0.4
96.95882	2.2
98.19651	0.5
124.48800	0.3
129.06891	0.3
135.04462	1.5
147.08043	0.5
163.11188	100.0
164.11523	5.8
173.04469	0.7
177.09119	74.6
178.09480	4.8
179.03394	1.3
183.01187	0.4
191.05533	4.4
194.05765	0.4
197.02637	0.9
199.75215	0.3
222.08990	0.6
353.21191	99.6
354.21521	12.7
379.84134	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0821
Annotation	Fridamycin E
Peak:m/z	Relative Intensity
59.01237	4.0
69.32687	5.3
69.33099	3.6
71.01254	1.8
82.65918	1.1
94.86365	0.9
101.02332	1.4
119.04920	19.5
121.02840	87.3
122.03172	3.9
162.03137	2.9
163.03918	10.3
174.29198	1.2
177.02199	0.9
181.06525	3.9
191.05603	1.4
199.00650	1.4
223.07788	1.0
225.05466	1.8
239.16473	1.9
267.06296	1.1
270.96127	1.1
289.40060	1.1
304.96771	1.1
307.13010	1.3
311.09238	100.0
312.09476	9.3
355.08231	41.8
355.12027	2.2
355.15552	1.6
355.21118	1.2
355.24890	7.2
356.08389	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15403	0.2
50.96981	0.2
51.24636	0.2
51.92473	0.2
55.29271	0.2
59.01251	1.3
61.33530	0.2
67.01759	0.5
69.03324	0.3
71.01257	1.2
73.02807	0.5
81.03322	0.5
83.04873	0.3
85.02821	9.1
86.03168	0.2
87.00750	1.7
91.51323	0.2
93.03334	5.1
98.19691	0.3
99.04394	0.4
103.71844	0.2
109.02824	0.6
111.04414	1.5
127.03909	2.5
133.02837	0.8
134.03632	0.3
135.04424	5.7
136.04755	0.3
137.02269	0.5
155.03391	0.5
161.02332	1.9
171.02917	0.6
173.04463	4.6
175.58549	0.2
179.03438	3.5
180.03687	0.2
191.05534	100.0
192.05872	3.5
196.66074	0.2
292.68073	0.2
353.08759	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31423	0.4
53.68235	0.5
57.03325	1.7
57.28034	0.4
59.01247	3.3
60.99181	1.5
67.01755	8.7
69.03323	2.3
71.01247	4.9
71.15353	1.0
71.15694	0.5
73.02831	0.7
81.03342	2.1
83.04898	1.6
85.02821	17.2
87.00745	3.7
89.03811	0.5
89.62025	0.5
91.05366	0.6
93.03333	44.2
94.03688	1.4
95.57471	0.5
99.04397	1.3
107.04892	2.2
108.02055	0.6
109.02811	3.0
111.00768	1.0
111.04401	7.1
112.04747	0.6
113.02332	0.7
116.08250	0.4
127.03892	3.7
133.02840	3.7
134.03630	7.6
135.04411	100.0
136.04747	3.8
137.02324	5.9
138.02728	0.5
155.03410	5.8
157.72531	0.4
161.02344	4.6
162.02779	0.5
164.68137	0.4
171.02919	0.8
173.04462	99.8
174.04808	4.0
179.03413	62.6
180.03723	2.4
191.05530	55.8
192.05908	2.0
215.15973	0.5
239.03322	0.5
279.67480	0.5
353.08728	12.3
354.09128	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	353.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98437	0.1
59.01244	0.9
67.01747	0.3
69.03333	0.1
69.77440	0.2
69.77851	0.6
71.01247	0.7
73.02824	0.3
81.03349	0.3
83.04895	0.3
85.02820	6.8
86.03173	0.2
87.00750	1.2
93.03336	2.6
99.04406	0.3
109.02845	0.7
111.04394	0.9
113.02320	0.2
123.67428	0.1
127.03909	1.8
133.02855	0.8
135.04416	1.2
137.02422	0.2
155.03392	0.3
161.02353	2.3
162.02721	0.2
171.02914	0.4
173.04456	1.6
179.03444	1.0
191.05545	100.0
192.05891	4.1
228.28113	0.2
263.51129	0.1
353.08801	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0875
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
53.15310	0.6
54.25234	0.4
59.01250	1.4
67.01741	0.7
70.70004	0.9
71.01255	0.8
83.04919	1.0
85.02821	10.6
87.00765	2.6
89.03876	0.5
91.05411	0.6
93.03336	5.5
99.04383	0.6
107.04906	1.4
109.02817	1.2
111.04387	2.6
125.33698	0.5
127.03907	3.0
133.02824	1.4
134.03632	8.1
135.04414	59.9
136.04782	2.1
155.03394	1.2
161.02380	3.4
171.02834	0.7
173.04485	4.5
179.03415	51.2
180.03752	2.2
180.21532	0.6
191.05534	100.0
192.05865	4.1
198.12904	0.5
243.74898	0.5
271.20740	0.5
315.37836	0.5
353.08737	18.8
354.08994	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	353.0878
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
54.31219	0.5
57.03326	0.8
59.01248	1.9
59.18535	0.5
67.01767	2.4
69.03329	0.6
69.62479	3.2
71.01240	2.7
73.02824	0.7
75.29729	0.5
81.03343	0.9
83.04931	0.6
85.02818	9.3
86.23306	0.5
87.00737	2.4
93.03335	15.6
107.04921	0.9
109.02815	0.9
111.04395	3.8
125.54574	0.5
127.03894	1.9
133.02832	2.2
134.03615	3.7
135.04408	46.5
136.04735	1.7
137.02345	2.4
137.45741	0.5
155.03375	2.7
161.02379	3.4
166.53319	0.5
171.02922	0.8
173.04460	50.7
174.04799	1.6
176.03996	0.7
179.03412	41.2
180.03767	2.3
191.05528	100.0
192.05838	3.3
276.19315	0.5
279.06683	0.5
313.48654	0.7
353.08685	7.3
354.08832	1.1
355.61249	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0876
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
59.01243	0.7
83.04880	0.6
85.02827	5.5
87.00758	1.5
90.28024	0.4
93.03329	2.6
98.20581	0.7
106.04082	0.6
107.04910	1.3
111.04401	1.6
120.93986	0.4
127.03891	1.7
132.26729	0.4
133.02882	0.9
134.03659	4.3
135.04413	52.1
136.00688	0.4
136.04749	2.5
140.18907	0.5
155.03423	1.3
161.02379	2.6
173.04456	3.9
179.03418	56.1
180.03770	3.5
191.05536	100.0
192.05885	3.6
227.53276	0.4
257.56595	0.4
278.33392	0.4
353.08749	15.0
354.09061	1.6
356.45721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
69.28783	44.1
69.83375	3.7
71.01240	4.7
73.02818	4.7
85.02854	4.8
87.04391	7.3
93.03317	11.5
96.95889	4.3
97.06410	4.1
105.03336	8.6
107.46693	4.0
108.16146	3.8
109.39220	3.8
132.02142	3.7
133.02832	47.4
135.04378	10.9
150.03108	5.1
173.04472	22.6
177.01837	29.8
181.11858	4.4
190.07603	3.9
191.05527	13.2
197.14616	4.1
208.92874	4.8
209.15424	6.7
215.05692	4.8
351.07870	4.5
351.21735	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38748	0.8
59.01250	100.0
60.01603	0.7
62.21670	0.7
69.91877	1.9
69.92281	1.7
71.01247	0.8
71.57758	0.7
78.12248	0.7
85.02817	0.9
87.00786	0.8
87.83295	0.6
93.03319	4.6
96.95882	0.7
105.03348	0.8
122.41074	0.6
126.50276	0.6
133.02864	8.7
134.06030	0.8
135.04399	4.3
137.02301	0.9
161.02347	0.9
173.04448	9.6
177.01843	2.9
179.03392	1.6
191.05531	5.4
215.05592	0.9
223.42566	0.7
249.13278	1.0
351.07266	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18824	0.7
56.04156	0.7
59.01250	100.0
59.86415	0.7
60.01588	1.1
64.76881	0.7
69.71547	3.5
112.06705	0.7
133.02866	2.1
153.05994	0.7
173.04524	1.0
177.01888	0.8
197.90387	0.7
273.03583	0.8
358.89874	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1704
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
50.26333	0.9
51.16669	0.9
59.01244	6.6
59.28622	0.9
69.64603	4.1
69.65018	2.7
81.42478	1.0
93.03329	1.1
111.35938	1.1
120.17532	1.0
121.10145	8.1
133.02855	2.4
162.27863	1.1
167.93896	1.1
171.10162	19.6
172.10570	0.9
173.04486	1.2
177.01834	1.3
209.27608	1.0
231.21068	1.3
275.20132	17.1
276.20639	1.3
293.21219	13.7
351.17041	100.0
352.17371	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	353.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	3.7
57.03313	5.9
58.00460	3.5
58.84893	2.5
59.01244	34.5
60.24094	2.6
68.99684	7.3
69.03324	5.1
69.92489	14.0
71.01252	69.7
72.99178	42.4
73.02823	15.1
75.00746	21.0
78.77557	2.5
81.03294	2.6
83.01257	5.8
85.02811	27.7
87.00748	100.0
89.02321	16.5
93.03333	4.7
95.01247	7.3
97.02837	8.7
99.00751	35.2
99.79665	2.9
100.18204	2.8
101.02323	23.8
103.00253	24.8
105.01799	7.8
111.00747	24.8
111.04404	5.5
113.02332	33.2
115.00249	29.7
115.03845	3.2
117.01812	27.0
125.02320	12.5
127.00262	13.6
129.01804	24.4
130.50647	2.8
130.99840	2.9
131.03403	5.3
135.02832	3.6
137.02328	3.9
139.00282	9.4
139.60976	2.4
141.01801	15.2
143.03380	6.3
145.01337	14.8
147.02855	10.6
153.01788	4.7
154.99664	3.7
157.01308	10.2
159.02885	8.7
169.01355	5.5
171.02936	5.8
173.00812	11.0
173.04446	10.9
175.02402	38.0
177.04030	14.1
177.05270	3.1
189.03970	3.0
193.03409	11.3
200.16536	2.7
205.03456	3.0
214.59064	2.7
228.70499	2.8
231.33307	2.9
235.04535	3.4
263.03946	3.2
335.05975	4.0
353.06995	26.7
354.07358	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	349.1867
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01745	1.7
57.03313	3.4
58.00463	3.7
59.01249	96.6
65.39394	1.1
69.03331	1.9
71.01251	100.0
71.06769	2.8
72.01567	1.4
72.99170	6.3
73.02811	9.4
75.00754	1.4
83.01251	5.6
85.02824	24.0
87.00757	4.1
87.04401	1.5
89.02314	75.1
95.01278	6.5
99.00762	4.3
101.02319	54.6
101.19900	1.0
102.02685	2.3
113.02330	33.4
119.03380	29.9
125.02283	1.3
131.03412	3.8
143.03426	5.9
149.04460	2.5
150.91806	1.3
159.02937	2.3
161.04456	19.7
179.05516	9.8
187.13338	12.2
207.92487	1.1
282.50696	1.0
349.14929	2.5
349.18677	37.4
350.18994	3.5
372.82370	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	5.8
71.01266	0.8
89.02311	1.7
91.03873	3.0
97.67230	1.0
113.02287	0.9
119.04906	1.6
214.93225	0.7
231.17458	2.3
247.16931	1.7
257.15472	1.9
268.77396	0.9
273.14944	1.8
275.16504	100.0
276.14645	0.8
276.16931	8.6
323.86319	0.8
349.19949	2.1
370.24310	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34363	1.0
59.01253	6.1
60.97472	0.7
71.01260	10.3
71.31882	0.8
71.58166	1.1
74.96054	6.0
89.94756	0.8
96.95869	2.6
127.07514	0.8
127.29291	0.7
128.97160	4.0
133.02858	5.2
150.94722	0.7
164.08401	1.0
164.19519	0.7
164.94031	0.8
173.04439	1.4
177.01877	2.2
177.09145	4.5
186.95567	1.6
191.05536	1.2
192.11459	8.1
192.95811	4.0
193.12067	1.0
205.12283	3.1
207.13843	2.0
208.93034	1.1
218.09433	2.0
220.14630	59.9
221.15407	100.0
222.15775	6.6
231.17496	2.2
235.13321	1.9
236.10490	87.2
237.10909	6.3
268.07428	1.3
268.95645	0.8
275.16498	4.6
278.10611	5.9
279.11298	2.6
293.17575	19.9
294.05890	2.2
294.17978	2.1
333.12381	6.0
351.13455	59.4
352.13766	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	349.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.9
59.01250	100.0
60.01586	1.0
60.18267	0.5
71.01258	4.1
71.58829	0.5
73.02824	0.8
81.53739	0.5
83.01234	0.7
85.02847	1.5
89.02325	1.1
96.95924	0.9
101.02320	2.9
113.02350	1.6
118.42071	0.5
135.04434	0.6
150.34213	0.5
161.04515	1.1
173.04442	0.9
205.19337	0.5
249.62398	0.5
289.16617	2.9
349.20111	3.9
357.07562	0.7
365.13934	0.6
372.47125	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.7
57.03313	3.4
58.00463	3.7
59.01249	96.6
65.39394	1.1
69.03331	1.9
71.01251	100.0
71.06769	2.8
72.01567	1.4
72.99170	6.3
73.02811	9.4
75.00754	1.4
83.01251	5.6
85.02824	24.0
87.00757	4.1
87.04401	1.5
89.02314	75.1
95.01278	6.5
99.00762	4.3
101.02319	54.6
101.19900	1.0
102.02685	2.3
113.02330	33.4
119.03380	29.9
125.02283	1.3
131.03412	3.8
143.03426	5.9
149.04460	2.5
150.91806	1.3
159.02937	2.3
161.04456	19.7
179.05516	9.8
187.13338	12.2
207.92487	1.1
282.50696	1.0
349.14929	2.5
349.18677	37.4
350.18994	3.5
372.82370	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00454	1.1
59.01250	35.1
65.33107	0.7
71.01249	14.6
71.15480	0.9
71.15831	1.2
72.99177	5.4
73.02822	0.9
75.00762	0.7
85.02834	2.3
87.00737	0.8
89.02303	8.5
92.76675	0.7
93.03346	1.1
96.00784	1.8
101.02324	2.7
113.02306	2.1
125.09634	2.6
131.03503	1.1
135.08051	6.0
153.09116	81.3
154.09425	2.6
169.08632	3.2
171.10149	5.7
191.05557	1.0
197.08098	10.5
211.09729	0.9
213.12766	0.9
215.09183	53.0
216.09557	1.3
229.54274	1.0
257.10251	3.6
268.63385	0.7
329.12640	1.8
332.96530	0.8
347.13455	100.0
348.13748	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	347.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91851	0.7
54.17716	0.7
55.84509	0.7
59.01250	100.0
60.01601	1.3
64.47137	0.7
65.33889	0.7
69.95983	3.6
71.01236	0.9
77.05114	0.8
82.57209	0.6
83.34085	0.7
95.30534	0.7
98.20491	1.5
102.09004	0.7
125.24583	0.8
157.69557	0.8
183.61992	0.7
213.14900	3.5
347.18948	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12136	0.8
53.19249	0.8
58.33078	0.8
59.01249	100.0
71.07337	1.4
72.12123	0.8
81.46961	0.7
87.95683	0.9
91.03911	0.7
93.43121	0.7
118.50039	0.8
121.93345	0.8
153.85922	0.9
155.47000	0.9
164.90231	1.0
213.14900	3.3
273.56958	0.9
291.95047	1.0
317.08899	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
67.52883	2.2
70.15763	8.5
71.01260	2.9
74.32775	2.2
74.84412	1.9
92.31664	2.0
93.86652	2.4
128.30550	2.4
217.00249	3.0
269.55176	2.2
313.70596	2.3
321.44473	2.1
349.20007	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	349.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	41.6
62.07031	0.5
64.83819	0.6
69.77717	2.9
70.56999	0.6
71.01258	8.5
72.99181	0.6
84.35381	0.6
85.02827	1.6
89.02317	5.4
98.20464	1.0
100.25595	0.6
101.02295	1.0
113.02340	1.3
127.11170	1.1
137.09592	2.8
151.70226	0.6
155.10678	39.1
155.67128	0.7
156.11035	1.4
171.10176	27.0
172.10506	1.2
173.11702	1.3
185.11743	1.0
199.09723	8.7
201.11299	1.9
213.11258	2.7
215.12955	0.6
215.88834	0.6
217.10754	79.2
218.11037	3.1
259.11829	7.9
331.13956	1.9
331.67361	0.7
349.15005	100.0
350.15341	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	349.1864
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
51.01439	1.1
55.01746	4.1
57.03313	3.5
58.00457	4.3
59.01249	100.0
60.01580	1.4
63.50890	1.5
69.10999	1.2
69.58306	7.2
71.01250	92.4
72.01611	1.6
72.99165	4.9
73.02811	17.1
81.03343	1.4
83.01249	9.6
85.02819	29.1
87.00752	5.4
89.02315	57.0
95.01241	8.1
97.02811	2.1
99.00753	6.3
101.02321	66.9
102.02620	1.7
106.38003	1.3
113.02332	34.0
114.02646	1.2
119.03374	26.7
125.02281	2.3
131.03368	3.1
143.03386	5.5
145.50410	1.3
149.04439	1.7
151.11166	1.5
155.52376	1.4
159.02885	5.0
161.04457	24.4
179.05521	5.8
187.13338	7.9
349.18726	32.3
350.19006	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	345.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33702	11.5
59.01245	100.0
69.91927	71.8
78.95774	16.6
87.23799	12.2
98.20497	13.0
123.04414	56.3
142.89317	13.2
171.10107	25.1
186.85495	56.6
186.88298	31.2
186.95541	31.0
202.92766	14.0
202.98665	21.9
248.95900	42.0
290.97067	80.8
291.19443	16.9
309.20667	38.0
344.94241	15.5
345.25357	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.7
70.83042	0.8
71.01263	0.4
71.81176	0.4
73.02816	1.6
98.70033	0.4
131.03368	1.7
147.19345	0.3
177.12730	0.4
183.13818	15.4
184.14153	0.8
195.13832	13.3
213.14890	100.0
214.15269	5.2
232.54472	0.3
259.69354	0.4
304.92218	0.3
317.56595	0.3
345.19232	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	345.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48308	0.2
57.03316	0.3
59.01256	2.0
67.24278	0.2
68.94784	0.2
69.03313	0.6
71.01225	0.4
71.29630	0.5
73.02814	0.3
77.01424	0.3
86.84673	0.2
87.04394	0.5
97.06412	0.3
101.02311	1.2
107.10668	0.3
123.04380	0.7
131.03371	1.0
134.03615	0.3
149.04575	0.3
151.65450	0.2
177.12695	0.3
179.03435	0.2
183.13823	12.8
184.14096	0.4
191.05460	0.3
195.12027	0.6
195.13828	11.4
196.14186	0.9
211.13376	0.6
213.14897	100.0
214.15253	4.5
290.96991	0.5
303.21771	1.0
345.19043	1.0
345.22836	1.2
345.26453	0.7
367.89545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.8
60.95446	0.4
66.31812	0.6
66.38351	0.5
69.03323	1.4
70.06921	1.0
70.07277	2.4
71.01224	0.6
75.73872	0.5
85.02808	0.5
85.78812	0.4
86.11682	0.5
89.02309	0.6
99.08031	4.4
101.02284	0.6
105.05349	0.5
117.21150	0.5
121.02872	2.4
121.10110	5.3
123.04378	0.6
125.09588	1.4
127.11172	1.6
137.09630	1.8
139.11186	1.3
140.89618	0.5
157.57462	0.5
161.05946	0.8
165.09026	0.8
171.10182	36.1
172.10556	1.4
175.11214	0.8
184.88577	1.4
193.12279	8.8
201.02473	1.4
211.13283	2.1
225.14908	10.9
243.16016	4.2
253.15591	0.6
260.95441	0.5
289.18231	0.8
293.21091	2.5
313.10782	0.6
328.13062	2.7
343.15906	6.7
343.24854	100.0
344.15817	0.6
344.25217	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	343.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20259	0.6
56.34159	0.7
57.05355	0.8
58.32173	0.7
59.01254	6.5
71.01236	1.8
71.38329	1.3
87.02800	0.7
93.03376	0.9
93.33392	0.8
95.04887	0.9
100.06451	0.7
109.02824	1.4
121.02847	4.5
121.10108	8.9
122.03597	1.6
123.04397	1.1
127.11157	1.2
137.09566	1.7
139.11206	4.0
140.89487	1.1
165.09088	1.0
171.10168	64.3
172.10518	2.3
178.50269	0.7
182.60060	0.7
184.88632	1.8
191.07007	0.9
201.02429	2.7
201.04060	0.8
272.98148	0.9
285.72144	0.9
286.23712	0.8
293.21408	1.0
325.68350	0.7
328.13132	5.5
343.15729	13.1
343.24847	100.0
344.15872	1.7
344.25211	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	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03322	0.7
57.63471	0.4
59.01250	4.8
59.97094	0.4
69.03321	1.3
71.01266	1.1
71.38227	0.5
83.04898	1.3
93.03341	0.4
96.95854	0.5
97.06454	0.9
99.08031	10.1
101.02308	0.5
109.02848	0.5
113.09643	0.6
117.76587	0.3
121.02835	1.6
121.10115	2.1
122.03598	1.1
123.04394	0.4
125.09609	1.9
126.42841	0.4
127.11137	0.9
137.09610	1.7
139.11215	1.1
149.13264	0.8
151.11174	0.4
151.92754	0.4
152.53490	0.4
153.09187	0.4
158.22742	0.4
161.05994	0.6
165.12785	1.0
166.91934	0.5
171.10175	19.6
172.10524	1.0
175.11198	1.2
184.88507	0.5
191.06967	0.4
193.12260	16.4
194.12599	1.2
197.15392	1.0
201.02452	1.3
211.13368	3.3
225.14917	21.2
226.15282	1.3
243.15981	7.9
256.07373	1.3
271.09790	1.9
293.21210	3.4
311.22238	1.0
313.23688	0.4
325.23630	0.6
328.13168	1.9
343.15979	6.0
343.24866	100.0
344.16220	0.5
344.25211	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	343.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76477	0.6
57.03294	0.6
59.01252	100.0
61.33813	0.6
71.01254	5.0
71.58154	0.6
73.02850	0.8
85.02816	0.9
89.02308	4.9
93.03310	1.2
96.95878	0.6
98.02366	1.3
101.02345	2.8
109.02858	1.6
110.58469	0.6
113.02377	1.4
119.03378	1.6
121.02831	2.1
123.04419	0.8
124.01484	0.7
134.04634	1.2
137.02371	1.8
147.04468	0.8
151.03932	2.2
161.02403	0.9
161.04549	0.7
161.06004	1.4
173.04509	0.7
176.04739	1.1
177.05481	2.6
179.05620	0.6
181.05074	0.8
185.74496	0.8
190.06375	0.8
191.07060	1.1
192.07870	1.3
220.02667	0.6
246.87933	0.5
301.26495	0.6
313.10947	1.3
328.13239	1.9
343.15579	6.3
343.21240	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2125
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
50.71644	0.8
51.75620	0.8
52.56802	0.8
57.03315	3.6
58.00458	0.8
58.25660	0.9
59.01246	6.6
70.54468	0.8
71.01249	4.3
71.04887	2.5
71.58154	1.1
71.58543	1.4
73.02790	0.9
75.49000	0.9
83.04901	2.7
84.02055	4.7
85.02800	2.8
85.06458	1.1
87.04398	2.2
89.02317	1.5
93.03325	2.6
95.04889	7.1
96.95890	1.5
97.06463	2.0
101.02304	2.0
109.02850	0.9
111.04410	1.5
113.05946	2.1
121.02831	3.9
122.03625	1.3
123.04482	1.0
125.09609	2.3
127.11199	1.2
135.04401	1.6
135.08017	1.4
137.02364	1.0
141.92328	0.8
153.09166	1.1
161.05914	0.9
165.12708	1.3
167.14429	1.1
171.10158	20.7
177.12674	1.1
183.13817	2.2
185.11786	1.1
193.12224	1.1
197.11839	1.5
199.13310	1.0
209.11774	3.9
211.13330	14.1
213.14717	1.1
221.11758	2.3
229.14397	20.6
230.14726	1.5
237.14915	8.9
239.12695	1.1
241.14438	2.7
249.14825	1.1
251.12840	1.9
267.15948	1.2
289.18008	1.8
299.22208	1.1
307.19095	1.2
325.20267	7.0
328.13144	3.5
343.15616	8.5
343.21228	100.0
344.15698	1.1
344.17325	1.1
344.21542	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1034
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
57.40715	0.5
58.63970	0.4
59.01253	15.6
64.56467	0.5
69.70951	1.2
69.71365	2.5
71.01231	0.6
73.19139	0.6
93.03338	1.1
95.04884	0.7
95.71971	0.5
104.34856	0.5
107.04917	1.0
109.02837	6.4
109.06510	3.8
119.04910	4.0
119.50471	0.5
121.02853	8.6
122.03624	1.4
135.04417	7.0
136.04784	0.7
137.05986	33.4
138.05443	0.8
138.06360	0.8
139.05843	0.7
166.02689	0.9
181.04993	100.0
182.05324	3.8
191.05484	0.6
266.94586	0.6
284.60355	0.6
300.15710	0.7
343.10385	10.2
343.14856	1.1
344.10672	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	343.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
65.40865	1.1
66.77834	1.2
66.85695	1.1
71.01243	5.5
72.97257	1.4
73.02805	1.6
82.55917	1.4
85.02832	1.7
89.02323	4.9
101.02333	2.9
113.02310	2.8
119.03413	1.2
121.02833	2.0
131.34026	1.3
145.65440	1.4
210.31372	1.3
282.54227	1.6
328.12985	1.9
343.15527	8.5
343.21167	4.6
343.52573	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	341.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79380	2.1
55.01748	2.3
59.01248	100.0
59.70339	2.6
70.91232	2.8
70.91597	5.0
71.01252	31.0
72.99180	2.7
73.02814	6.0
85.02811	8.9
87.00735	2.9
89.02322	29.7
98.02333	2.3
101.02328	21.7
113.02321	14.7
119.03401	12.6
119.06985	3.0
124.02696	2.1
124.07981	2.3
143.03377	5.3
144.02939	4.0
161.04453	17.9
162.46359	2.1
179.05510	13.0
188.09618	2.0
224.98482	2.5
225.08878	4.1
243.09816	3.2
281.12390	43.8
333.97501	2.4
341.10995	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	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07838	0.5
53.43995	0.5
59.01242	3.2
59.98908	0.5
60.17972	0.6
60.32164	0.6
65.47096	0.5
69.03316	2.4
71.01243	1.8
71.07544	1.4
81.03279	0.6
83.04910	1.3
84.02030	7.5
85.02829	0.9
89.02303	1.8
95.04926	0.7
97.02829	2.4
97.06468	9.8
99.04385	2.0
101.02318	0.9
117.18256	0.6
119.03382	1.1
119.08528	0.9
125.09647	1.4
127.11040	0.8
137.09619	1.4
145.03407	0.6
149.13156	0.7
163.11095	0.7
165.93790	0.7
171.10175	22.0
172.10481	1.0
174.43892	0.8
179.05505	0.7
183.13892	1.0
193.12271	14.8
197.15440	0.7
200.92532	0.6
211.13278	3.8
221.11864	0.8
225.14885	18.2
226.15218	1.3
243.15973	9.3
253.14395	0.9
291.19672	1.8
323.22098	0.8
326.65158	0.7
341.23297	100.0
342.23691	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	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.1
58.00472	1.3
59.01248	33.3
69.03321	3.2
70.69276	0.6
71.01250	25.4
71.04888	0.7
71.20473	1.5
71.20823	0.9
72.99184	2.0
73.02848	0.9
79.36508	0.8
83.01276	1.0
83.56142	0.7
84.02038	19.8
85.02802	3.3
87.00756	1.3
89.02312	29.9
95.01261	1.1
97.02822	6.7
97.06469	4.0
99.04390	5.4
101.02322	12.4
113.02338	10.4
119.03400	9.8
119.04887	2.9
119.05670	0.7
119.08544	2.7
125.09594	1.3
127.11165	2.1
131.03404	1.2
135.08086	2.2
137.09608	2.4
143.03409	3.2
149.04495	1.4
161.04437	3.2
163.03941	1.0
171.10172	59.5
172.10530	2.8
179.05531	10.9
183.13795	1.0
193.12308	4.5
211.13356	2.7
220.58034	0.6
225.14928	7.1
243.15939	2.5
281.12439	1.1
291.19699	2.1
341.10861	11.4
341.23270	100.0
341.27029	51.4
342.11087	0.9
342.23593	9.3
342.27408	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	341.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14692	0.7
55.01745	1.8
58.00461	1.9
58.86972	0.8
59.01249	100.0
60.01583	0.9
61.49599	0.7
67.96083	0.7
69.03337	2.2
70.40952	0.7
71.01251	66.7
72.99201	2.0
73.02818	65.2
75.00735	0.8
83.01254	18.5
85.02821	5.9
86.08626	1.0
87.00761	2.4
89.02309	21.8
95.01269	2.7
96.95879	1.4
97.02843	1.8
98.20667	1.4
99.00716	1.5
101.02321	50.6
102.02663	1.0
107.04922	1.6
111.00684	1.1
113.02332	15.1
119.03419	9.4
119.04906	18.4
121.02817	1.9
125.02331	2.6
131.03363	4.3
132.36131	0.8
134.03644	1.5
134.21416	0.8
135.04427	1.4
137.02428	0.9
137.05978	3.9
138.05496	19.2
143.03397	4.6
149.02379	2.2
149.04442	6.4
150.03261	1.3
155.03362	1.5
161.04468	7.8
164.35942	0.8
174.34502	0.8
179.03444	1.0
179.05521	5.6
182.39764	1.0
189.05389	0.7
192.04167	0.8
205.08578	0.8
223.06021	1.4
282.08755	1.0
299.11557	1.7
341.10452	8.0
342.11746	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	341.1239
Annotation	Bidenoside D
Peak:m/z	Relative Intensity
58.00463	3.1
59.01250	100.0
66.57294	1.2
67.01743	1.2
69.32140	8.7
69.32552	4.1
71.01254	71.1
72.99181	2.9
73.02818	35.3
74.55095	1.1
83.01260	13.4
85.02832	8.9
87.00749	2.9
89.02318	45.4
90.02623	1.3
93.03325	2.3
95.01249	2.7
96.95937	1.6
99.00761	2.2
101.02322	45.3
102.02676	1.5
104.27969	1.3
113.02338	24.4
119.03394	16.7
119.04913	18.1
120.05222	1.6
123.04480	1.4
125.02367	1.9
126.05492	3.4
130.70796	1.1
131.03419	2.9
131.49898	1.1
134.03696	1.3
135.04413	4.9
137.05997	3.7
143.03413	5.6
144.02983	1.4
149.04474	4.0
155.03450	1.3
161.04431	9.9
173.04408	4.1
177.01852	1.5
179.03436	3.7
179.05513	16.5
179.06984	1.7
189.01851	2.5
191.05646	1.4
281.10272	3.6
299.11349	2.4
341.06760	2.5
341.10751	18.2
342.11285	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	341.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	2.1
57.03313	1.8
58.00466	3.4
59.01249	100.0
60.01592	1.2
62.48825	1.0
68.42699	1.0
69.03323	1.8
69.85001	4.1
69.85410	2.1
71.01250	74.8
72.99195	3.6
73.02815	35.0
75.00745	3.3
83.01252	10.6
85.02825	14.6
87.00736	5.2
89.02312	41.3
95.01273	5.4
99.00767	2.9
101.02319	38.2
101.02997	1.8
105.01814	2.4
113.02325	34.4
117.03351	1.8
119.03405	14.6
119.04910	23.8
125.02330	1.9
131.03409	3.5
133.29791	1.1
134.03625	20.9
135.04393	3.9
138.05495	2.3
143.03395	5.0
149.02293	1.3
149.04485	1.4
150.88878	1.1
151.00301	3.2
156.27852	1.5
161.04436	7.0
165.03944	13.8
175.00267	1.3
179.03438	3.6
179.05511	11.1
188.75600	1.2
193.04974	14.6
246.35011	1.0
281.10269	10.7
299.11401	3.1
341.10959	11.1
361.42456	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0876
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
52.24715	0.2
55.17056	0.2
58.00486	0.3
59.01248	7.8
63.72039	0.2
70.92104	0.5
71.01253	4.3
71.01653	0.2
72.99198	0.4
73.02827	1.1
74.57602	0.2
83.01292	0.6
85.02847	1.0
89.02312	3.5
91.05408	0.2
92.97058	0.2
93.03327	0.2
95.01276	0.4
100.73280	0.2
101.02323	2.5
107.04886	1.2
109.02916	0.3
113.02326	1.8
117.58179	0.2
118.97300	0.3
119.03407	1.0
119.04903	1.8
121.02924	0.2
125.82506	0.2
131.03348	0.3
133.02834	0.3
134.03621	3.3
135.04408	100.0
136.04749	3.3
138.05507	0.9
143.03391	0.4
148.07544	0.4
161.02379	0.3
161.04465	0.8
167.50504	0.2
177.49666	0.2
178.02617	0.3
179.03410	99.4
180.03740	4.1
281.10175	0.5
341.08597	11.6
342.08911	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1086
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
53.35670	1.1
57.03316	3.7
58.00465	3.7
59.01250	100.0
69.34831	5.0
69.35261	5.8
71.01253	71.6
72.99169	4.8
73.02804	1.7
76.93517	1.1
83.01237	2.6
85.02818	12.7
87.00735	4.8
89.02314	61.9
95.01235	2.4
98.19744	2.0
99.00745	1.5
101.02311	25.7
105.01685	1.1
113.01611	2.0
113.02326	22.5
118.90229	1.0
119.03380	22.2
131.03407	3.9
143.03424	5.7
145.03596	1.0
149.04451	2.7
161.04471	8.3
179.05524	25.8
341.06784	1.9
341.10837	31.7
342.11157	2.0
346.08676	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0876
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
59.01248	11.5
70.85387	1.0
70.85747	1.3
71.01247	6.3
73.02811	2.6
83.01260	1.2
85.02828	1.4
87.00749	0.5
88.69961	0.5
89.02313	6.2
95.01262	0.7
101.02313	4.2
103.39088	0.6
107.04890	0.7
113.02302	3.6
119.03403	1.9
119.04885	3.6
134.03604	4.1
135.04407	97.9
136.04739	3.1
137.02351	0.9
138.05501	2.5
138.93048	0.6
144.02917	0.9
151.00310	0.6
161.02309	0.6
161.04472	0.6
173.04486	1.0
178.02734	0.6
179.03409	100.0
180.03745	3.9
191.05579	0.6
281.10510	1.4
341.08566	13.4
342.09152	0.8
356.75323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2326
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
56.92472	0.4
69.57473	0.4
71.34399	0.8
91.10498	0.4
98.13952	0.4
113.81567	0.5
162.97194	0.4
163.11185	100.0
164.11502	4.7
164.92746	0.5
167.99596	0.4
183.01140	1.1
339.20084	2.5
339.23276	53.6
340.23541	4.6
344.30920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0871
Annotation	Piperphilippinin IV
Peak:m/z	Relative Intensity
50.01418	2.6
54.16103	2.7
59.01249	24.7
61.98683	3.4
63.02238	3.2
65.00168	3.3
69.40720	16.9
69.41145	11.0
71.01269	3.5
78.95699	2.9
81.15465	2.6
83.01264	3.5
107.01229	4.9
121.02849	70.1
122.03165	3.4
131.58893	3.3
132.05656	6.9
147.03278	5.6
147.04422	88.4
148.04778	4.8
151.00290	14.2
164.04646	5.1
165.01877	4.5
180.88342	2.8
183.01141	9.4
187.11197	8.8
193.10152	48.3
207.08067	6.3
207.11656	9.6
221.09599	5.6
223.07558	8.4
225.05440	4.8
237.14891	11.8
251.07219	18.2
251.10771	19.1
295.09753	82.7
296.10098	7.6
321.20786	9.2
327.95135	2.8
339.08667	100.0
339.12375	21.7
339.16180	11.2
339.19781	3.1
340.08957	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	339.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36449	1.1
57.03299	1.6
59.01249	100.0
69.27145	3.9
69.27569	9.7
71.01257	14.1
72.65906	1.5
73.02817	4.8
75.00710	1.7
79.68265	1.4
83.01254	3.0
85.02821	6.6
87.00758	1.6
89.02330	3.1
93.03305	1.4
96.95888	1.3
98.20544	2.8
99.00759	2.0
101.02308	14.1
113.02303	5.1
119.03310	1.5
122.77894	1.3
135.02963	1.3
135.04356	2.3
149.02278	1.8
155.59282	1.3
161.04445	10.7
164.04539	1.5
223.05994	3.6
279.14444	17.6
284.26126	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2174
Annotation	3alpha-Hydroxy-3,5-dihydromonacolin L acid
Peak:m/z	Relative Intensity
52.69133	0.4
58.55592	0.4
59.01250	3.3
70.00504	2.3
73.02824	1.2
83.04892	0.8
94.04121	1.3
95.04938	1.0
97.06479	1.4
101.02332	0.6
101.05956	3.7
109.06443	0.8
112.05183	0.8
121.02828	1.3
135.04462	0.9
139.11180	2.0
147.04401	0.7
149.06007	0.5
155.10687	8.2
156.04213	0.8
178.09912	7.3
179.10454	0.6
180.88107	0.6
183.01126	2.3
191.14348	1.8
193.10194	0.6
193.15939	2.3
201.11238	0.7
209.15485	1.3
215.71082	0.5
219.13834	1.9
225.14758	0.7
235.13370	11.9
236.13890	0.6
237.14920	100.0
238.15234	5.9
253.14430	8.6
253.18306	0.7
258.35513	0.6
264.13748	1.6
265.18036	1.1
277.21738	0.8
283.19388	0.7
295.09637	1.3
295.22589	0.8
303.19754	3.3
321.20682	86.6
322.20993	6.6
339.08719	1.5
339.16495	2.1
339.21814	7.3
340.22266	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60878	0.9
52.89719	0.9
59.01249	100.0
69.33765	0.9
70.38605	2.6
70.39002	1.5
71.01254	10.5
72.99206	1.0
76.92844	0.9
77.85464	0.9
85.02815	1.3
89.02316	16.4
94.93037	0.9
101.02318	6.7
113.02305	4.7
119.03421	5.6
119.04935	6.4
143.03340	1.4
161.04457	3.0
163.03918	17.5
173.04544	1.1
173.14235	0.9
179.05524	6.8
185.57971	1.1
191.05571	1.7
230.16179	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19980	1.1
59.01243	9.4
65.42778	1.1
66.03358	6.4
67.01763	2.1
68.04922	17.2
71.01239	3.8
71.44598	2.1
78.03381	1.7
80.04926	74.0
81.03321	3.5
81.05278	2.0
83.01257	48.4
85.02818	9.2
87.00756	2.4
93.03324	8.9
94.02849	2.2
96.04425	28.4
98.05986	10.1
99.00761	4.1
100.00298	2.1
103.40543	1.1
108.04431	31.1
110.05993	100.0
111.04403	1.8
111.06331	2.6
118.06503	2.0
119.04900	5.2
127.03867	2.4
135.04387	2.0
142.97276	1.2
144.04504	1.7
145.02902	1.9
146.05882	1.5
150.05490	10.7
152.07085	1.5
161.02322	2.3
163.03954	7.9
164.07074	30.3
173.04503	7.1
176.07089	9.3
177.50134	1.5
178.05061	2.1
180.06526	3.6
181.86613	1.2
182.08182	3.1
191.05528	97.3
192.05864	2.9
194.08183	2.5
208.06059	5.0
212.09201	11.5
238.07175	20.9
245.13062	1.9
257.12640	1.8
263.14014	15.6
264.14032	1.6
275.13937	3.2
289.11911	11.1
293.15067	25.1
294.15378	2.2
307.13058	6.9
319.12976	77.6
320.13431	5.7
337.09827	2.4
337.14038	14.2
338.14307	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	337.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01593	1.1
69.50479	6.9
72.10886	0.8
80.52880	0.8
85.70795	0.9
88.98135	0.7
93.03333	1.0
142.09319	0.8
191.05557	1.6
357.84668	1.0
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 PGF2alpha
Peak:m/z	Relative Intensity
52.62612	0.4
59.01250	3.0
71.58024	0.8
96.95882	0.7
219.13857	0.9
255.23268	0.8
305.21231	6.9
306.21371	0.5
337.23816	100.0
338.24194	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	337.2384
Annotation	11-deoxy-PGE1
Peak:m/z	Relative Intensity
55.01739	0.3
55.13722	0.4
57.03319	1.2
59.01250	5.2
66.42986	0.4
69.03307	1.4
69.46155	0.8
69.46566	2.1
71.04881	0.6
72.53005	0.4
73.02824	3.8
81.59686	0.4
83.04907	0.5
85.02811	0.6
86.12531	0.4
93.03321	0.4
95.04913	0.7
96.95898	0.5
97.06464	12.5
98.06831	0.3
98.30799	0.4
119.04893	0.5
123.08067	0.5
137.09579	0.9
151.11180	1.2
155.10678	2.8
163.03845	0.5
165.09138	0.8
167.10695	0.4
169.12247	32.8
170.12567	1.5
173.04459	0.4
183.10242	3.4
191.05461	0.6
194.92747	0.4
197.11768	0.7
249.18567	4.3
266.28799	0.4
267.19617	1.3
283.30960	0.4
293.18790	0.5
319.22653	1.0
325.51611	0.3
337.23816	100.0
338.24161	8.3
357.55853	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1079
Annotation	(-)-Glyceollin I
Peak:m/z	Relative Intensity
52.61272	0.7
59.01246	6.8
59.75744	0.6
71.01241	0.7
71.58305	1.2
74.74615	0.7
96.95899	0.9
105.15393	0.7
119.04931	1.3
143.00183	0.7
145.02795	1.3
157.02797	0.9
160.01471	1.2
161.02338	1.1
162.03152	1.1
163.03920	3.4
169.81831	0.7
173.04460	1.7
177.05498	4.2
177.06821	0.9
191.05501	1.7
191.08495	0.8
195.04425	0.9
195.08038	2.0
205.06519	1.0
206.07240	2.2
207.08070	5.2
209.05980	1.0
218.07309	0.8
221.05945	1.5
222.06703	1.6
223.07642	4.2
233.06023	2.1
234.06813	4.6
235.03920	1.7
235.07590	15.2
236.08041	1.5
237.05475	2.9
245.05966	1.1
247.07555	1.2
249.05441	1.3
250.06279	3.0
251.07104	13.5
261.05508	1.4
262.06305	2.6
263.07114	7.1
264.07684	1.1
266.09406	4.6
267.09683	0.8
278.05887	3.6
279.06601	92.9
280.07001	6.1
289.04935	1.2
290.05801	2.9
291.06604	39.3
292.07324	10.7
293.08112	4.2
294.08926	7.5
305.08154	5.1
306.05627	1.2
306.08939	34.1
307.06134	100.0
307.09537	9.2
308.06479	9.2
321.07657	17.8
322.08432	64.2
323.08765	5.0
337.10794	74.4
337.15076	1.6
338.11179	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01160	0.2
57.22566	0.2
59.01245	1.3
60.71331	0.2
60.99166	0.3
64.31679	0.2
67.01760	0.7
69.03328	0.5
70.70825	0.4
70.71197	0.4
71.01241	0.8
73.02815	0.3
76.30588	0.2
81.03303	0.2
83.04929	0.3
85.02820	6.4
87.00742	2.2
93.03333	6.6
99.04370	0.3
109.02842	0.6
111.04408	1.5
119.04919	2.4
127.03875	1.8
145.02821	0.8
148.09560	0.2
155.03352	0.3
163.03906	2.2
171.02826	0.3
173.04485	2.0
177.83333	0.2
184.33508	0.2
191.05531	100.0
192.05875	3.3
282.78162	0.2
337.09247	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
50.18420	0.2
56.19904	0.2
57.03302	0.3
58.54623	0.2
59.01256	1.3
60.99152	0.3
67.01759	1.0
69.03325	0.4
71.01255	0.9
71.38110	0.3
71.38451	0.3
73.40754	0.2
73.71976	0.2
81.03331	0.7
83.04890	0.4
85.02820	8.8
87.00739	2.6
93.03337	6.5
99.04368	0.7
109.02831	0.8
111.04416	1.6
113.02299	0.2
114.82392	0.2
119.04935	2.1
127.03887	2.0
137.02341	0.3
145.02882	0.9
155.03400	0.3
163.03905	2.7
171.02921	0.9
173.04477	2.4
191.05533	100.0
192.05875	3.3
244.41483	0.2
257.74973	0.2
267.82288	0.2
337.09320	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	337.0927
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
56.83085	0.9
69.03343	1.4
71.01266	1.2
71.57290	1.9
77.75724	0.9
81.28236	1.0
83.04866	1.3
85.02832	4.5
87.00729	1.5
93.03321	6.4
94.19366	1.0
111.04385	2.8
112.37882	1.1
119.04911	85.2
120.05270	3.2
127.03854	1.7
138.56410	1.1
155.03395	3.1
163.03908	100.0
164.04236	2.4
173.04427	5.8
181.86574	0.9
191.05533	35.4
317.30417	1.0
337.09225	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47356	0.8
58.79376	0.9
59.01251	10.1
60.81554	1.0
62.03549	0.7
67.01765	6.7
69.03316	1.3
70.68795	0.8
71.01263	4.0
71.44543	1.6
75.72571	0.8
81.03341	1.1
83.04884	1.4
85.02825	5.0
87.00756	1.1
93.03330	33.5
94.03705	1.2
97.37282	0.8
109.02811	1.7
111.04386	7.1
113.02334	1.1
119.04911	25.6
120.05337	1.3
127.03848	0.8
137.02295	3.2
145.02838	1.1
155.03391	3.3
163.03914	16.7
164.04311	1.0
173.04465	100.0
173.68823	1.0
174.04773	2.7
185.95425	0.9
190.43788	0.9
191.05533	28.1
224.44672	0.9
337.09186	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.093
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
51.96167	0.3
53.16709	0.4
54.21654	0.3
57.03307	0.7
59.01250	5.1
60.99180	0.8
62.38217	0.3
67.01763	5.1
69.03329	1.0
69.87727	1.6
70.47766	0.4
71.01254	3.2
81.03320	1.0
83.04901	1.6
85.02827	3.2
87.00741	1.6
88.12968	0.3
93.03333	27.5
94.03661	0.7
98.19861	0.6
99.04401	0.6
109.02833	1.2
111.00718	0.9
111.04406	5.9
119.04913	23.8
120.05302	0.9
127.03896	1.0
137.02344	4.7
141.70963	0.4
145.02856	0.6
155.03387	4.2
163.02504	0.5
163.03914	16.2
173.04465	100.0
174.04800	3.8
191.05534	29.4
192.05878	0.9
312.89084	0.5
316.88486	0.4
337.09262	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0775
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
51.42697	2.1
58.19521	3.1
59.01248	25.0
61.00869	4.5
68.99660	5.0
69.03345	3.2
70.02841	3.5
70.96617	2.4
71.01250	26.2
71.38004	5.3
72.00780	7.7
72.99177	6.3
73.02818	7.2
75.00744	7.7
78.95749	3.0
82.02852	11.4
85.02829	12.2
87.00740	14.8
89.02323	15.1
98.02325	4.3
99.00767	11.0
100.03925	4.0
101.02329	8.7
109.24601	2.3
111.00753	6.2
113.02322	12.2
113.99461	12.6
115.00250	8.1
115.05032	5.4
127.00249	20.9
128.03418	14.2
129.01852	5.0
139.00266	3.3
143.03482	3.8
143.04526	9.0
144.02917	29.6
149.04478	6.6
154.05060	2.8
157.01344	30.6
157.02757	3.6
157.03000	3.3
161.05591	4.2
174.01596	10.5
175.02400	9.4
175.03925	2.5
179.05556	4.9
199.07173	8.6
229.08308	5.0
247.09384	5.5
257.71744	3.1
259.09271	5.0
277.05719	6.9
277.10318	13.0
307.11359	3.0
308.02457	2.5
337.07828	100.0
337.12543	16.9
338.08383	4.2
343.86200	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	335.171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51005	0.4
55.01748	0.5
57.03327	0.8
58.00465	0.8
59.01250	18.0
65.82510	0.3
67.00638	0.4
70.58590	0.7
70.58943	0.9
71.01256	14.7
71.04914	0.7
72.99182	1.7
73.02842	0.9
83.01276	0.8
85.02826	3.0
87.00749	0.8
89.02319	11.6
93.03355	0.7
96.95867	0.4
101.02332	1.1
108.84872	0.4
113.02329	1.7
123.23752	0.4
125.09630	0.4
127.11189	8.4
131.03363	1.0
133.02844	1.1
135.04440	1.2
139.11188	0.9
149.04495	0.7
155.10678	3.2
157.12256	30.9
158.12601	1.3
161.02365	4.0
166.04988	0.8
171.13759	0.5
179.03395	0.9
185.11739	2.7
187.13351	0.9
199.13297	0.6
201.11302	1.0
203.12830	100.0
204.13152	4.6
210.03931	0.5
245.13943	0.6
267.39438	0.4
318.16876	0.4
333.79425	0.4
335.17096	90.1
336.17438	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	335.2227
Annotation	PGB1
Peak:m/z	Relative Intensity
50.19547	0.3
57.03322	3.8
58.52788	0.3
59.98409	0.5
65.85831	0.3
69.03327	3.8
69.29225	3.5
71.04887	1.3
73.02811	0.7
77.01169	0.3
83.04898	1.9
85.06454	0.8
87.87263	0.3
95.04883	0.6
97.06463	13.4
97.15194	0.3
99.04391	31.0
100.04794	0.4
107.04883	0.7
110.26772	0.3
119.08552	3.1
125.09605	0.6
135.08095	0.4
137.09616	8.0
138.57808	0.3
141.05470	0.4
147.04280	0.4
153.09108	1.1
163.07610	0.5
167.10683	15.0
168.10976	0.9
181.08655	2.1
203.17886	0.4
223.46107	0.3
247.17059	0.8
265.18011	0.5
317.21109	1.5
335.22247	100.0
336.22614	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	335.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00427	0.6
59.01254	4.1
69.27646	3.6
69.28078	2.7
71.01263	2.5
73.02802	3.2
79.36447	0.6
80.65306	0.5
81.03333	1.9
83.04879	4.9
85.02823	1.1
87.00740	0.6
89.02318	1.2
93.03333	34.5
94.03694	0.9
98.20583	1.4
101.02353	0.8
106.93047	0.6
107.04941	1.5
109.02802	1.0
110.03317	0.6
111.04404	14.6
111.08016	1.4
117.03349	0.8
126.58247	0.6
132.02011	1.3
133.02849	36.7
134.03668	5.4
135.04413	96.5
136.04773	4.4
137.02333	13.3
139.03899	0.8
142.23209	0.6
146.48785	0.6
155.03397	9.4
161.02345	100.0
162.02695	3.6
173.04504	3.9
173.05811	0.9
173.08029	1.9
178.02635	1.6
179.03415	82.5
180.03777	2.9
182.64098	0.7
207.59261	0.6
223.70207	0.6
247.09596	0.9
277.64786	0.7
291.08469	1.1
335.07706	29.4
336.08054	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	333.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42542	8.8
53.53109	9.5
57.78181	8.7
59.01240	75.1
63.01647	11.1
67.11649	9.8
71.01244	25.4
71.57627	8.6
71.58152	12.3
73.02790	11.4
78.35557	9.2
83.84311	9.4
101.02354	15.9
133.02847	15.2
160.55252	12.0
170.04808	9.8
184.48726	9.6
201.02534	15.3
201.11221	100.0
333.20703	43.2
333.49487	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	333.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26258	9.6
59.01254	58.4
70.92460	22.4
71.01250	38.4
71.06853	9.3
84.26206	9.6
89.02354	10.4
96.95868	16.0
98.46011	9.8
101.02299	14.9
116.46166	9.3
168.38409	9.7
201.02504	24.7
201.11273	100.0
333.20633	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0772
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
50.73413	0.5
57.82098	0.6
59.01247	3.1
63.37217	0.5
63.74414	0.5
64.59307	0.5
67.15610	0.5
69.65084	4.1
71.01256	1.1
73.02815	1.9
73.83395	0.6
81.03331	0.9
83.04897	3.2
93.03336	13.2
99.04381	0.7
101.02359	0.9
107.04922	1.4
109.02811	1.2
111.04395	5.0
116.07065	0.6
117.03347	1.2
132.02029	0.7
133.02866	7.4
134.03659	6.3
135.04410	100.0
136.04753	4.3
137.02342	5.2
155.03450	2.8
161.02350	20.2
162.02676	1.0
173.04460	2.2
176.63684	0.5
179.03412	85.8
180.03719	3.4
233.07710	0.6
246.67558	0.6
291.08774	0.7
319.56271	0.6
335.07684	21.7
336.08014	2.2
349.83301	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0772
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
50.89677	0.3
56.38330	0.3
59.01238	3.3
62.13990	0.3
65.03812	0.7
70.91671	1.0
71.01249	1.3
72.99177	0.4
73.02818	1.8
81.03300	0.7
83.04903	1.6
85.02818	0.8
89.02319	0.7
91.05406	0.4
93.03333	11.3
99.00759	0.6
99.04410	0.4
101.82171	0.4
106.04087	0.4
107.04913	1.1
109.02822	0.7
111.04385	3.8
117.03341	0.6
133.02847	8.4
134.03648	5.4
135.04414	100.0
136.04767	4.8
136.26367	0.3
137.02330	5.3
142.06526	1.5
155.03395	1.6
161.02342	22.2
162.02695	1.0
173.04532	2.0
179.03418	81.6
180.03775	3.4
181.02882	0.4
186.05475	0.9
191.03387	3.4
203.12747	0.5
204.06627	1.0
291.08771	0.5
335.07712	22.7
335.16574	1.9
336.08008	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	331.2487
Annotation	9,10,18-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
55.62365	0.1
57.03324	1.4
58.00472	0.7
58.13925	0.1
59.01247	0.5
68.30567	0.1
71.01258	0.2
71.04876	0.3
71.58846	0.2
73.02821	0.8
77.60726	0.1
87.04375	0.3
97.06458	0.5
99.08021	0.5
109.06470	0.4
111.07994	0.2
113.09629	0.8
123.08035	0.4
125.09589	0.5
127.11188	0.3
135.08109	0.3
137.09589	0.3
138.06787	0.3
139.11172	0.8
141.09099	0.3
141.12775	0.6
142.20638	0.1
143.10666	1.4
153.09097	1.4
155.10721	0.4
157.12250	2.4
169.12248	1.4
171.10170	0.3
171.13799	0.2
173.11700	0.3
185.11737	2.2
187.13249	0.2
196.70654	0.2
201.11284	0.3
213.11398	0.3
214.11961	0.3
215.12831	1.5
277.21838	0.2
295.22766	1.3
311.22333	0.4
313.20248	0.3
313.23849	4.7
314.24124	0.3
327.21585	0.2
329.23312	5.1
330.23654	0.5
331.24869	100.0
332.25238	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	333.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38382	1.2
56.20667	1.1
57.03326	2.4
59.01250	37.8
62.59879	1.3
69.03325	2.4
69.26697	3.7
69.27118	8.5
71.00885	2.3
71.01252	28.7
72.99181	8.4
85.02830	4.8
85.06437	1.8
87.00809	1.4
89.02310	23.5
93.69911	1.4
96.95908	1.7
99.00768	1.2
101.02314	2.1
107.08554	5.2
113.02347	5.1
113.16543	1.2
119.03361	1.4
121.10081	2.5
131.03447	1.3
136.78687	1.3
139.11214	5.5
149.04544	1.5
152.36214	1.1
155.10692	3.6
173.04419	1.4
174.76166	1.2
182.02791	1.2
183.10185	100.0
184.10556	4.6
191.05527	1.7
201.11250	64.3
202.11568	3.3
278.64777	1.3
308.69803	1.2
333.15540	99.9
334.15787	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	331.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.4
57.03304	1.4
59.01250	100.0
60.01587	1.0
63.20689	0.8
69.84960	3.3
69.85387	2.5
71.01252	20.4
73.02822	5.8
83.01261	2.5
83.04890	1.1
85.02827	9.5
87.00762	1.6
89.02324	6.0
91.20659	0.8
95.01252	1.5
96.95906	1.5
98.19870	1.3
99.00716	2.0
101.02321	13.2
113.02335	8.7
119.03358	2.7
131.03394	2.5
138.55844	0.9
141.51392	0.8
151.11221	1.2
153.01875	1.5
159.02878	1.2
161.04460	6.7
173.04405	1.2
183.13733	1.2
199.13326	1.0
213.14937	7.0
221.06570	1.3
289.16580	2.4
313.23944	1.1
331.18176	1.0
331.24844	18.9
332.25220	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	331.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.9
57.03322	2.5
58.00462	5.7
59.01249	100.0
60.01575	1.4
69.47591	4.8
71.01250	81.2
72.01566	0.9
72.99184	7.3
73.02821	4.5
73.97784	0.7
82.32732	0.6
83.01255	3.8
85.02819	16.7
87.00745	3.7
89.02313	77.9
90.02683	0.8
93.03358	0.7
95.01254	6.4
96.95885	0.9
99.00774	2.7
101.02321	38.9
113.02325	29.6
114.02668	0.7
119.03381	27.5
120.03706	0.8
122.03704	0.7
125.02308	0.9
131.03436	2.8
139.00269	1.8
143.03424	3.0
149.04483	1.4
151.00308	2.6
153.01886	0.9
159.02995	0.8
159.48817	0.7
161.04506	4.4
169.01424	0.8
173.04507	0.9
178.99796	2.2
179.05557	2.3
187.76102	0.8
206.99347	0.9
213.14824	1.0
241.14423	1.4
268.28299	0.7
319.49268	0.8
331.00998	0.9
331.12164	2.1
331.17822	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69607	0.5
55.01759	2.0
57.03328	1.8
57.14679	0.6
58.00465	5.3
59.01250	100.0
60.01575	0.9
69.03318	0.6
70.92101	1.5
71.01252	69.9
72.01582	1.3
72.99180	6.4
73.02822	4.4
83.01253	3.3
85.02338	1.0
85.02827	14.2
86.12534	0.5
87.00747	3.5
89.02317	74.1
90.02657	1.4
95.01260	3.9
95.98062	0.5
97.02761	0.6
99.00742	1.7
101.02322	37.2
102.02684	0.7
105.14606	0.5
105.78420	0.5
113.02331	26.8
114.02631	0.5
119.03393	28.0
125.02301	0.8
131.03371	2.1
143.03340	2.4
149.04414	0.5
153.01869	0.9
161.04463	2.4
179.05502	1.9
228.27480	0.5
239.49579	0.5
289.04327	0.7
296.75900	0.6
331.11975	1.0
331.17484	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1548
Annotation	Marmin
Peak:m/z	Relative Intensity
50.79285	0.4
56.63620	0.3
58.00465	0.7
59.01249	1.2
61.65678	0.3
67.00910	0.4
69.44936	0.4
70.87209	0.8
73.02850	0.4
74.95524	0.3
79.17756	0.3
81.48439	0.3
89.02287	0.6
100.09868	0.3
121.02837	0.5
132.02106	0.5
133.01833	0.7
133.02846	16.4
134.03687	2.7
135.04416	50.3
136.04759	2.1
137.02319	2.1
139.03845	0.5
139.11169	1.0
151.07578	1.9
161.02353	66.8
162.02687	2.2
164.58455	0.4
169.12274	1.5
172.48384	0.4
178.02634	0.6
179.03397	5.8
205.08527	0.7
209.15457	0.5
216.39847	0.4
240.13824	0.4
263.16479	1.0
287.16241	1.1
296.24432	0.3
313.14221	1.7
331.15475	100.0
332.15808	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	331.1762
Annotation	Rosiridin
Peak:m/z	Relative Intensity
55.01748	3.5
55.71642	0.8
56.02030	0.9
56.36335	1.0
57.03333	4.2
58.00474	4.2
59.01249	100.0
60.01584	1.1
65.32645	0.7
69.03316	1.2
69.66928	3.7
69.67337	1.9
71.01251	95.8
71.40884	0.9
72.01583	1.4
72.99168	5.1
73.02811	12.6
75.00751	0.9
77.44717	0.8
83.01249	5.9
85.02821	22.9
87.00751	4.3
89.02313	93.7
95.01248	6.4
99.00768	3.3
99.28503	0.8
101.02316	59.6
102.02627	0.9
113.02328	41.6
119.03387	42.4
120.03751	1.3
125.02338	1.5
129.01576	0.9
131.03412	3.8
143.03394	5.3
149.04416	1.5
159.02946	2.6
161.02382	0.9
161.04462	10.5
171.01062	0.8
173.04485	2.5
179.05545	3.4
208.03302	1.0
212.59131	0.9
331.17593	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	331.1548
Annotation	Marmin
Peak:m/z	Relative Intensity
59.01245	1.4
60.04098	0.3
71.01258	0.5
83.04905	0.9
93.03369	0.5
105.78925	0.4
109.02826	0.4
123.08033	0.4
129.76222	0.4
133.02837	16.9
134.03679	2.2
135.04404	15.0
135.08086	0.6
137.02310	3.0
139.03847	1.0
145.02834	1.1
151.11188	4.3
153.01781	0.5
161.02339	83.5
162.02667	3.5
163.03821	0.5
169.04857	0.5
170.72820	0.5
178.02585	2.0
179.03406	7.7
331.15463	100.0
332.15775	7.8
332.19382	0.7
344.08020	0.4
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	3'-Deoxydryopteric acid
Peak:m/z	Relative Intensity
52.89250	0.4
59.01235	1.7
63.02260	1.0
65.00192	3.0
65.17261	0.5
71.01226	0.9
83.01268	0.6
89.00187	0.7
89.02332	0.6
91.01742	0.8
95.01257	2.1
95.73129	0.5
97.02810	2.5
98.20584	0.9
99.08031	0.7
100.73943	0.6
107.01279	1.5
108.02046	2.9
109.02843	4.0
110.46989	0.5
111.00782	0.8
121.02821	1.6
122.03619	1.4
123.00755	1.9
123.04434	0.5
124.01549	10.9
135.04398	3.0
137.02339	3.1
138.03120	9.8
139.00304	2.5
139.03906	9.1
149.99493	0.5
151.00264	6.2
152.01093	3.7
153.01820	0.6
155.03415	0.7
161.02301	1.3
163.03867	1.0
164.01045	1.4
164.64886	0.6
165.01843	21.7
166.02626	31.3
167.03232	1.5
168.04134	0.6
169.01334	2.1
178.99776	20.6
179.03304	2.8
180.00143	0.6
190.39220	0.5
191.05496	1.2
193.01320	5.0
201.86586	0.5
203.83421	0.7
205.05006	1.1
211.13358	0.9
212.13669	2.9
213.13826	0.5
223.13181	0.6
227.03395	0.7
229.04898	0.9
230.14728	1.5
231.14899	0.6
249.11061	3.4
255.02895	1.6
257.04440	1.2
267.12241	0.7
270.05310	1.8
271.06134	1.1
272.06918	1.4
273.04041	1.5
287.09293	1.7
288.06381	13.8
289.06607	0.8
303.08725	100.0
304.09088	6.6
330.23630	8.4
331.08243	3.3
331.15396	8.0
331.19086	1.0
331.23907	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1548
Annotation	Chrysotobibenzyl
Peak:m/z	Relative Intensity
59.01239	1.5
67.76353	0.3
71.01241	0.6
71.58094	0.3
71.58486	0.4
96.95895	4.0
101.02359	0.5
121.02881	0.4
132.85469	0.4
133.02841	6.7
134.03654	4.2
135.04411	32.8
136.04713	0.9
137.02357	3.2
139.03920	1.4
147.31349	0.3
150.03162	0.3
161.02345	21.5
162.02689	0.6
168.04247	0.5
178.02599	1.4
179.03415	25.1
180.03784	0.9
192.97153	0.3
201.20074	0.3
259.57578	0.3
264.69510	0.3
325.89944	0.3
331.15494	100.0
332.15799	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	329.2331
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
51.21469	0.3
53.51908	0.3
57.03312	1.5
57.81055	0.3
58.00448	0.6
59.01247	3.4
71.01249	1.4
71.04892	0.5
71.58277	0.7
73.02817	0.9
83.04942	0.4
89.02315	0.8
95.04868	0.4
97.06461	1.4
101.02305	0.4
109.06480	1.6
111.08018	0.6
113.02325	0.4
123.08062	2.5
125.09566	0.7
135.08025	1.4
138.06772	0.7
139.11163	1.1
141.12735	0.8
153.09106	1.0
157.12224	2.2
169.12276	1.6
171.10205	0.4
185.11778	4.0
214.11932	0.5
215.12805	1.7
223.17030	0.4
241.09944	0.4
243.03024	0.4
271.02405	0.5
274.25421	0.4
291.19550	0.7
293.21301	1.4
299.01828	0.4
309.20856	0.4
311.22241	4.2
314.04199	0.5
317.73315	0.3
327.21741	4.5
329.06665	1.0
329.23312	100.0
330.23624	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	329.233
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03325	1.4
59.01234	1.2
62.42615	0.3
65.90577	0.3
69.30058	3.1
73.02821	1.0
82.33554	0.3
85.02820	0.5
87.08069	0.3
95.04947	0.4
97.06480	0.5
98.20473	0.6
111.08019	0.5
113.09608	2.8
123.08045	1.9
125.09610	4.3
127.11193	3.3
137.09607	0.4
139.07480	0.3
141.09119	1.0
143.10654	0.8
153.09100	0.8
155.10675	1.2
157.12257	2.0
171.10175	12.0
172.10516	0.5
173.11679	0.4
185.11729	1.9
186.12466	0.9
200.10295	0.4
244.44269	0.3
301.23840	0.4
311.22253	1.9
327.21683	2.1
329.23297	100.0
330.23630	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2332
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
54.72667	0.6
58.00455	2.1
59.01250	12.2
61.98692	2.0
69.38586	6.4
71.01251	1.1
73.94963	0.6
96.95845	1.0
99.08028	9.7
109.02848	1.3
111.58582	0.8
119.04901	2.6
121.02823	4.3
121.79791	0.7
122.03616	2.7
127.07562	1.6
129.09102	8.0
135.04413	16.6
137.02336	1.0
139.11266	0.8
159.04391	0.7
169.12221	7.0
171.10161	2.1
181.12263	4.6
182.23953	0.8
183.13818	1.5
186.85567	0.8
193.12302	1.9
197.11746	2.0
199.13321	21.5
200.13629	1.4
211.13312	12.0
227.12885	2.1
229.14342	1.7
230.80815	0.7
247.01450	0.7
293.21124	2.2
311.22253	2.5
314.15262	0.8
329.10495	2.6
329.17496	30.8
329.23291	100.0
330.17953	3.8
330.23654	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	331.0669
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
63.49576	1.5
69.03323	4.1
69.55825	1.4
70.04921	3.0
70.05331	5.8
105.61504	1.7
123.00780	3.2
124.01540	16.9
125.02338	65.0
149.99483	29.4
151.00247	2.3
158.93932	1.9
163.80954	1.8
168.00554	61.5
169.01286	7.6
169.45187	1.4
213.09967	1.8
232.49261	2.1
313.05722	7.4
331.06705	100.0
332.06973	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	329.1394
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
59.01250	10.0
65.47195	0.8
70.02848	1.6
71.01246	2.5
71.57787	1.7
73.02850	1.3
73.88143	0.9
85.02806	1.3
93.03347	1.7
96.00787	9.4
98.02351	3.5
100.03947	1.0
102.57628	0.9
102.63627	0.9
108.02067	2.0
109.02827	1.5
112.83851	0.9
119.04819	1.0
121.02842	13.6
122.03684	4.4
123.00758	2.9
123.04400	2.6
124.01584	1.2
130.08635	4.3
131.04924	2.3
134.03606	1.8
135.04469	1.0
136.05153	2.6
137.02316	3.2
137.05859	1.5
143.04877	2.7
145.02824	1.6
145.06534	1.9
146.03656	1.5
147.04399	8.6
149.02359	4.9
149.05971	1.4
150.03127	18.1
153.05420	1.1
154.02649	1.2
158.03644	12.5
159.04417	34.8
160.05205	78.5
161.05983	32.1
162.06361	1.5
163.03920	16.2
164.04684	11.3
165.85364	0.9
167.03378	1.3
168.04182	1.4
168.10222	2.1
173.06006	7.4
175.07558	61.0
176.04672	1.6
176.07886	3.0
177.04031	1.5
177.05479	18.1
178.06281	9.9
191.07111	1.2
193.08643	9.6
199.18013	2.2
213.12444	1.3
225.64598	1.0
256.20093	1.2
267.13416	2.2
299.12622	1.4
311.12460	3.2
311.34302	1.0
314.11661	2.2
329.13910	100.0
330.14304	6.9
330.20313	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	329.2331
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
57.03312	1.3
65.33951	0.6
71.06207	1.2
75.50866	0.6
81.11445	0.6
83.04926	1.0
89.03706	0.6
99.08028	6.1
120.89831	0.7
125.09589	1.1
127.11177	2.7
139.11160	3.1
155.14368	1.0
160.80200	0.7
165.12679	0.7
167.14331	1.4
171.10159	8.0
183.13792	5.8
193.12334	1.6
199.13266	0.9
209.11740	1.4
211.13321	29.0
212.13680	1.3
229.14403	14.4
274.95361	0.6
293.21078	0.8
311.22470	1.0
329.23294	100.0
330.23627	6.8
348.83154	0.7
352.75323	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1395
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
54.56809	0.5
59.01247	3.7
71.01256	1.3
71.22028	1.4
72.73820	0.6
72.76544	0.6
84.04503	0.6
85.02780	0.7
91.95077	0.6
93.03345	0.8
96.95892	0.9
101.02341	0.6
108.02028	0.8
115.05425	1.1
119.04897	0.6
121.02840	11.8
122.03668	4.8
123.00770	1.8
123.04411	2.3
124.01562	2.3
130.04173	0.9
131.03500	0.7
131.04935	3.0
132.20561	0.6
134.03664	0.9
135.04395	0.8
136.01578	1.0
136.05168	2.9
137.02357	2.2
137.05943	1.3
143.04926	3.3
145.02864	1.9
145.06549	0.8
146.03668	1.6
147.04416	9.4
149.02347	5.2
149.05986	0.9
150.03131	19.7
151.03835	1.3
153.05496	1.2
154.02615	0.7
158.03642	12.2
159.04427	39.5
160.05209	88.9
161.05994	34.2
162.03104	0.9
162.06342	1.2
163.03912	16.3
164.04698	13.6
173.05991	10.8
175.07567	69.1
176.04716	1.9
176.07906	4.1
177.05493	18.0
178.06267	10.6
179.03409	0.7
191.07101	1.4
192.07803	0.8
193.08624	8.6
255.15663	0.7
260.25137	0.6
261.26572	0.6
280.49948	0.6
299.12665	0.9
314.11646	2.2
329.13922	100.0
329.23163	2.8
330.14249	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	329.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25705	0.8
59.01249	100.0
71.01244	4.6
73.02817	1.6
76.85686	0.9
81.03336	1.3
83.01268	1.6
85.02806	1.5
86.02357	2.6
93.03354	1.0
99.00789	1.0
101.02312	3.0
102.93781	0.9
102.95532	0.8
113.02329	2.5
123.04401	10.1
125.02308	1.9
128.56462	0.9
129.24408	0.9
160.05046	1.2
161.04465	3.0
167.03410	27.4
168.03731	1.0
175.07578	0.9
209.04460	0.9
231.13493	1.9
269.10339	3.6
314.12839	0.8
329.13797	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	329.1394
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
59.01258	0.7
60.34802	0.5
67.88004	0.5
69.49555	0.8
69.49964	3.8
87.41116	0.6
91.05423	0.6
93.03329	0.9
95.21784	0.5
108.02047	0.7
115.05405	1.1
119.04930	0.9
121.02840	12.5
122.03648	4.7
123.00734	1.9
123.04424	0.9
124.01558	1.7
130.04138	0.7
131.04915	1.4
134.03601	0.7
135.04399	0.8
136.05202	2.2
137.02357	2.5
137.05956	1.8
138.03122	0.7
143.04945	2.0
145.02870	1.1
146.03609	0.6
147.04439	9.5
149.02374	3.3
150.03133	13.2
151.03929	1.3
153.05464	0.9
156.05336	0.5
158.03635	12.1
159.04424	35.8
160.05206	77.1
160.47287	0.6
161.05994	32.3
162.03149	0.8
162.06361	1.4
163.03902	12.5
164.04698	12.1
168.04190	0.9
173.05986	8.6
174.06635	0.8
175.07558	62.1
176.04744	1.6
176.07935	2.8
177.05482	15.1
178.06261	19.2
179.06674	1.5
191.07076	0.6
192.07773	2.8
193.08597	8.4
299.12915	1.0
314.11493	3.2
329.13931	100.0
330.14200	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	329.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	49.6
61.82781	0.8
68.56284	0.7
69.51008	1.7
69.51413	4.1
71.01254	2.9
81.03310	4.3
83.01248	2.3
83.60184	0.6
85.02813	1.5
93.03333	1.1
95.01280	0.8
95.04900	1.3
97.02839	0.7
98.20479	1.4
101.02318	2.4
105.26512	0.6
113.02336	1.0
119.04990	0.7
123.04401	34.0
125.02356	5.6
135.04324	0.7
137.02332	1.6
139.03809	0.8
149.02345	0.9
151.03899	1.6
159.04387	0.8
160.05202	1.7
161.04443	1.4
161.05930	0.8
163.03885	1.8
167.03404	100.0
167.52016	0.7
168.03740	3.9
175.00244	1.6
175.07559	1.6
179.03435	1.4
181.04958	2.8
191.03410	23.4
192.03790	1.2
209.04492	8.6
221.04497	2.8
269.10242	1.2
329.08371	3.8
329.14053	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	329.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.2
70.48430	1.1
71.01222	0.3
79.01753	0.7
79.32541	0.3
96.83768	0.3
96.95860	0.3
98.19878	0.4
108.02060	0.4
109.02824	0.4
111.04424	0.5
121.02834	1.9
122.03625	7.8
134.03656	0.9
135.04410	3.0
136.01553	2.8
137.02333	0.4
146.72006	0.3
149.02341	4.6
150.03119	15.6
151.03482	0.5
163.00273	0.4
164.01045	1.7
177.01759	0.4
178.02617	20.0
179.03395	1.8
182.02107	2.0
189.63483	0.3
193.04980	100.0
194.05328	4.0
210.01630	18.9
211.01883	0.6
218.61545	0.3
224.03014	0.4
236.45142	0.3
239.05811	0.3
313.06955	0.4
329.10260	4.1
329.13770	0.6
329.23254	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	329.1028
Annotation	Colutequinone
Peak:m/z	Relative Intensity
50.77267	0.3
50.83916	0.3
51.01299	0.3
57.03316	0.3
59.01241	2.9
60.17188	0.3
63.08711	0.3
70.79984	0.3
71.58167	0.5
71.58554	0.3
79.01762	0.4
93.03356	0.4
99.07986	0.6
108.02070	0.5
110.00134	0.3
111.04385	0.6
115.42703	0.3
121.02854	2.4
122.03623	8.7
134.00894	0.3
134.03621	0.6
135.04408	2.6
136.01566	3.0
136.18210	0.3
137.02283	0.4
137.17029	0.3
149.02324	4.4
149.05908	0.4
150.03120	15.7
151.03508	0.5
163.00345	0.4
164.01067	1.5
170.88223	0.5
170.90999	0.6
171.10205	0.5
177.01823	0.5
178.02626	19.1
179.03384	2.0
182.02153	2.1
186.85445	0.5
193.04980	100.0
194.05327	4.7
201.11078	0.5
202.11574	0.4
210.01631	19.4
211.01936	0.4
211.13213	0.4
224.03076	0.4
225.65714	0.3
247.01343	0.5
286.86133	0.4
313.07095	0.4
328.21960	0.7
329.10269	4.3
329.13937	1.2
329.17517	0.6
329.23071	4.3
329.26993	0.7
330.10654	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2539
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
59.01248	93.2
69.71155	5.9
70.99160	5.9
73.61553	5.6
77.72313	7.1
81.03327	12.7
83.04903	32.8
85.08435	5.7
98.20592	11.3
151.32062	5.7
172.38448	6.5
185.00662	8.4
209.06583	7.4
235.20645	22.4
250.28749	6.6
253.21719	65.6
327.18341	23.2
327.29025	100.0
337.59720	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	327.2901
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
59.01249	6.7
69.69481	3.2
69.69888	1.2
83.04884	0.5
87.22333	0.5
185.00703	1.1
251.75412	0.5
267.26855	1.6
281.28473	1.0
309.27832	0.9
327.18454	3.2
327.29019	100.0
328.29349	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	329.0877
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.21527	0.2
55.01725	0.3
57.03324	0.8
59.01249	38.8
60.01572	0.4
61.30058	0.2
65.00198	0.6
67.01770	0.3
69.03329	0.4
70.58210	0.2
70.85765	0.9
71.01244	2.2
73.02820	0.7
74.41924	0.3
75.28779	0.3
81.03327	5.1
83.01251	3.4
85.02802	1.2
93.03348	0.9
93.27712	0.3
95.01279	0.5
95.04906	1.2
97.02836	0.8
99.04377	0.4
101.02319	1.4
107.01253	0.7
107.04922	0.3
108.02069	0.4
109.02817	0.4
113.02328	0.8
119.04890	0.4
121.02825	0.8
123.04404	39.6
124.04736	1.3
125.02332	6.8
135.04405	1.0
137.02357	1.6
137.06003	0.3
139.03922	0.8
145.02902	0.3
147.04430	0.6
149.02310	1.2
150.03111	0.3
151.00276	1.1
151.03918	1.2
158.03529	0.3
158.95117	0.2
159.02933	0.3
159.04402	0.7
160.05211	1.3
161.04460	1.2
161.05969	0.8
162.02991	0.3
163.03908	1.9
165.05429	0.3
166.02591	0.7
167.03403	100.0
168.03757	3.3
172.56476	0.3
175.00278	1.2
175.07599	0.6
177.05441	0.6
179.03397	1.5
180.04219	0.4
181.04985	2.3
191.03423	25.1
192.03706	0.8
193.04913	0.3
209.04483	9.7
221.04501	2.6
233.04561	0.3
239.05519	0.3
269.06680	0.6
269.10226	1.5
299.09152	0.3
329.08978	4.1
329.13855	1.1
330.09387	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2174
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.17730	0.5
50.41106	0.5
50.54036	0.6
57.03316	0.9
68.06757	0.6
69.03334	0.8
71.01241	0.6
75.09573	0.5
83.04904	1.1
85.02824	4.8
95.04900	1.6
97.06462	4.8
98.20538	2.0
109.06508	0.8
125.09593	1.3
127.11195	1.9
133.21019	0.5
165.12836	0.9
167.14482	1.1
171.10205	8.7
177.12727	0.9
183.13831	5.4
185.11682	1.2
193.12247	1.7
197.11804	1.1
199.13361	0.9
203.10544	0.6
209.11769	1.9
211.13342	25.0
211.15381	1.3
212.13635	1.3
221.11766	4.0
229.14397	15.9
239.12845	2.3
277.86429	0.6
291.19601	4.6
305.37030	0.6
309.20731	1.4
327.21750	100.0
328.22101	10.0
341.87567	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03294	0.4
58.00465	1.2
59.01250	1.6
68.70582	0.3
70.68109	0.6
70.68492	0.7
71.01266	0.8
77.78895	0.3
85.02812	0.9
95.04897	0.3
97.06463	2.1
103.70231	0.3
108.93649	0.4
115.07531	1.1
153.12770	2.1
155.14313	3.7
159.90005	0.3
163.05980	0.3
167.14253	0.6
168.91304	0.5
171.10207	2.0
181.12248	0.7
183.09459	0.3
183.13817	5.5
185.11758	0.4
185.15443	0.4
187.48143	0.3
193.12262	0.4
199.13339	6.3
211.13330	4.7
212.13760	0.5
215.12834	0.4
223.81723	0.4
227.12805	3.1
229.14403	100.0
230.14787	4.6
285.10156	0.5
291.19693	1.9
299.08191	0.4
309.20709	7.5
310.20905	0.5
312.10596	0.4
327.12079	0.9
327.21753	9.4
327.25827	0.8
328.22098	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34992	1.7
59.01225	2.3
66.03353	2.1
69.37828	2.8
69.38230	13.8
71.01247	2.8
81.02092	1.7
82.02853	100.0
83.01250	7.4
83.03200	1.8
85.02809	1.8
94.02856	39.8
96.04431	14.7
110.02350	1.6
112.03924	35.7
114.09141	4.4
120.04411	2.2
122.05972	7.5
123.04382	2.9
124.03929	1.6
129.13756	1.4
135.04424	1.9
140.10686	2.6
142.08638	2.5
147.03159	1.8
148.03961	8.0
149.04474	1.6
165.05518	2.1
166.04973	2.3
168.10201	21.9
170.11775	7.3
178.05034	2.5
187.14459	4.4
196.09750	7.0
235.14491	2.8
253.15538	18.9
261.12378	4.3
265.15582	2.3
279.13489	35.9
283.16522	6.8
291.13602	3.1
297.14545	59.3
298.14899	4.7
309.14539	36.7
310.14658	2.9
327.08640	2.9
327.12076	2.4
327.15570	26.3
328.15985	2.4
343.21411	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	327.2174
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.20939	1.0
57.03315	2.4
59.01249	12.8
61.98717	1.7
69.03315	2.8
71.01257	3.2
71.58425	1.6
73.02827	1.3
83.04900	1.6
85.02834	2.6
95.04850	1.4
97.06451	1.5
111.08018	3.0
119.04972	1.3
119.08544	3.2
121.02781	1.5
125.09603	3.4
127.07515	1.3
127.11171	2.4
135.04430	2.8
135.08043	1.8
137.09616	17.2
147.04440	1.7
149.83064	1.2
153.12743	1.5
161.06013	1.8
163.79106	1.2
165.05438	1.7
169.12192	3.0
171.10173	62.0
172.10519	3.1
181.12283	2.2
183.13869	1.8
197.11743	20.6
199.13321	3.0
201.11221	12.7
211.13315	6.7
213.11305	2.3
229.14418	3.9
239.12755	1.7
239.16464	3.8
267.10718	1.2
291.19641	6.4
309.20679	7.0
327.09021	6.4
327.15836	4.1
327.21756	100.0
328.09366	1.8
328.21976	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02201	0.6
53.13762	0.9
58.00464	1.6
59.01252	34.0
60.91665	0.6
62.00450	0.7
69.53139	0.8
69.77563	3.2
69.77977	1.5
71.01251	20.8
72.99187	3.7
73.02811	1.1
83.01268	1.8
85.02827	4.5
87.00726	1.1
89.02317	18.1
95.01264	1.5
99.00776	1.2
101.02319	12.5
113.02318	7.3
119.03394	7.2
119.04887	4.8
123.04400	2.1
147.04427	100.0
148.04776	2.5
149.04431	0.8
161.05844	0.7
165.05495	14.8
170.35902	0.8
211.10725	0.9
212.02553	0.7
285.09656	1.0
309.14618	1.0
327.10846	44.3
328.11157	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	327.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.8
57.41964	0.8
57.69717	1.0
58.00462	1.6
59.01249	100.0
60.01581	1.1
63.19073	0.7
69.03307	1.5
69.90664	3.6
71.01250	41.8
72.50048	0.8
72.99174	1.5
73.02817	60.5
82.80804	0.8
82.82314	0.7
83.01255	16.9
85.02833	3.9
87.00748	1.4
89.02322	6.7
95.01288	1.4
97.02804	1.4
99.00737	1.2
101.02317	44.2
113.02332	13.4
119.03374	2.6
123.04397	1.4
125.02308	2.4
131.03423	3.9
143.03380	2.7
149.02382	1.4
149.04446	4.6
155.03467	1.2
156.59277	0.8
161.04462	8.8
165.05472	7.1
174.83372	0.8
200.64922	0.8
221.06508	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	325.2019
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
51.80161	1.8
57.03318	5.2
59.01247	13.8
69.03325	4.3
71.01238	7.2
71.04892	14.3
71.20817	3.8
73.02803	2.2
80.02555	1.8
81.03338	2.3
83.04905	11.7
84.02029	5.7
95.04922	4.2
95.26821	1.7
97.02880	2.0
97.06451	11.6
99.04449	2.0
99.08066	3.8
99.91349	2.3
105.06984	1.7
106.04120	3.2
109.06508	4.6
111.04393	2.4
111.08022	3.1
115.07547	2.3
121.06472	3.8
123.08057	13.3
125.09600	11.5
127.07542	15.2
135.08067	9.5
139.07533	4.1
141.09132	4.1
153.09100	22.4
155.10693	5.4
163.11220	3.8
165.12798	5.3
171.10175	46.2
178.09940	4.2
183.10165	2.9
185.11772	25.2
186.12366	2.3
191.10753	2.2
191.14340	2.9
195.13692	2.3
197.11757	17.9
201.11218	4.4
209.11766	83.8
210.12178	5.2
211.13330	15.7
213.11188	1.9
227.12819	2.2
233.11511	12.0
235.13362	9.8
237.14954	4.7
238.12093	7.3
241.95671	2.0
245.19093	3.6
256.13211	3.0
259.32993	1.9
289.18134	16.8
290.18555	2.4
304.51694	1.9
307.19131	100.0
308.19449	6.5
317.65152	1.9
325.20224	72.5
326.20657	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	325.2018
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03326	7.6
58.00480	2.1
59.01243	6.8
65.33446	1.2
69.03320	2.2
71.01245	1.9
71.04890	3.2
71.15501	1.4
71.15812	1.6
76.64926	1.4
80.02526	2.0
83.04878	3.9
84.02026	1.8
85.06467	1.4
87.04381	1.5
95.04882	1.6
97.02797	2.0
97.06455	4.2
109.06482	8.6
110.03647	2.1
111.04305	1.5
111.08031	23.3
123.08019	2.7
125.06004	2.6
125.09599	22.2
127.07630	1.6
127.11169	12.3
137.09593	8.9
141.09052	2.2
149.09567	1.6
151.11208	3.8
153.09143	5.4
155.10674	5.0
157.38043	1.4
164.08292	1.7
164.52904	1.3
165.09081	2.9
165.87997	1.3
169.08638	1.5
169.12186	3.1
171.10162	18.5
177.12689	1.3
181.12289	1.9
183.10162	2.6
183.13707	1.3
194.10738	1.5
195.10190	4.2
197.11749	14.8
199.09758	3.1
199.13283	2.4
201.11250	71.6
202.11545	4.2
211.13332	20.1
213.11259	52.3
214.11557	2.2
227.12817	1.9
233.11543	5.9
235.13165	1.7
237.14909	5.6
245.19051	2.2
250.12332	1.6
279.19547	1.5
289.18124	20.5
290.18326	2.5
307.19144	38.9
308.19354	4.8
325.20187	100.0
326.20529	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	325.2019
Annotation	Plakortenone
Peak:m/z	Relative Intensity
57.03333	0.9
59.01246	6.5
63.96110	1.9
69.87735	1.6
69.88123	2.4
71.01244	1.5
78.95818	0.8
97.06465	1.1
101.02295	1.0
105.52149	0.8
121.02862	4.9
121.60340	0.8
122.03626	4.4
123.04408	1.7
134.04634	0.9
136.05196	2.5
152.99620	1.0
161.04462	0.8
163.05948	0.9
164.08339	1.3
165.12798	1.5
167.14322	7.0
168.04114	1.0
177.09430	1.3
183.01128	1.1
193.15918	3.1
206.64578	0.7
207.17447	4.0
231.17435	3.8
233.15364	1.6
247.16884	0.8
249.18561	35.2
250.18979	1.8
275.16498	28.9
276.16861	2.9
281.21222	6.9
293.17584	100.0
294.17877	7.9
307.19110	4.5
307.22861	2.3
325.20209	73.3
326.20535	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.4
59.01245	2.2
64.82190	0.4
71.58602	0.5
85.06451	0.5
101.02363	0.4
129.35538	0.4
139.11121	0.8
183.01149	2.2
187.33784	0.5
188.18198	0.4
191.14322	2.8
192.15050	0.4
197.02702	13.4
197.04550	0.7
198.03239	1.2
209.15317	0.8
211.04265	0.7
221.60637	0.4
230.02455	0.7
263.23764	3.3
279.23129	0.5
289.21686	1.0
307.22763	100.0
308.23071	8.6
325.18396	27.8
325.23810	51.9
326.18744	2.6
326.24225	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	327.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69548	1.1
55.01763	1.8
56.54519	1.1
57.03308	1.6
58.00460	1.6
59.01249	100.0
60.01569	1.9
69.29295	7.3
69.29728	4.3
71.01250	39.1
72.99194	2.7
73.02814	50.2
75.00716	1.4
82.60681	1.0
83.01260	12.9
85.02820	9.4
87.00764	2.9
87.80161	1.0
89.02311	8.1
93.03336	3.0
95.01291	1.7
95.04906	1.5
97.02830	1.9
98.19808	1.8
99.00735	1.3
101.02322	44.6
101.02997	2.3
105.03303	1.9
107.04895	4.2
113.02324	16.2
119.03389	4.1
119.04946	3.9
121.02823	4.5
121.06487	2.7
123.04407	87.3
124.04732	3.3
125.02285	1.8
127.37326	1.0
131.03380	3.1
131.04924	1.4
134.03622	1.3
137.02394	1.3
143.03369	2.3
147.04411	9.5
149.04462	2.5
149.05975	3.6
161.04445	6.4
161.05817	1.3
165.05466	4.9
172.63329	1.1
173.05942	1.5
177.05516	2.9
193.05095	1.5
207.06523	2.2
249.07623	3.0
267.08704	34.0
268.09167	2.1
271.26828	1.3
285.09796	40.2
286.10236	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2018
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
57.03315	4.9
58.00461	6.3
59.01250	27.1
69.03330	4.0
70.02328	8.3
71.01244	11.2
71.04873	1.8
73.02820	2.5
83.04868	2.7
84.02035	2.9
85.02818	3.4
97.06468	2.7
106.04110	2.6
109.06483	4.1
109.95004	1.6
111.08027	40.1
113.05944	2.3
119.04910	7.1
123.08051	12.7
125.09605	8.7
127.07560	3.9
127.11184	8.2
128.31207	1.7
134.04605	2.2
135.08052	10.3
137.09616	4.1
139.11189	2.9
145.06467	5.2
151.11154	2.3
151.20993	2.0
153.09103	8.5
153.12785	2.3
155.10693	12.0
157.12244	2.5
160.05196	2.2
163.03911	8.0
165.09079	2.3
165.12743	2.3
167.10690	7.6
169.12294	4.9
171.10170	62.5
172.10510	2.5
175.07581	4.0
181.04260	1.6
183.01164	2.6
183.10202	6.1
185.11749	44.8
186.11952	2.1
191.14339	2.1
195.10207	4.7
197.11742	32.2
199.13356	12.6
201.11247	63.4
202.11736	2.8
207.10052	1.7
209.11774	12.2
211.13327	4.0
213.11264	20.2
215.12820	6.2
227.12849	44.2
228.13164	2.6
229.14389	3.2
235.13406	2.3
245.19000	6.1
245.52357	1.8
263.20267	2.0
265.12811	1.8
289.17990	13.9
307.19131	18.5
325.10220	2.8
325.20193	100.0
326.20505	7.4
349.46909	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	325.2017
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
52.88581	1.2
53.84832	0.9
54.84479	0.9
57.03316	1.4
59.01258	5.7
61.76288	1.1
70.87314	2.3
71.01241	4.1
71.66875	0.9
80.02535	1.3
81.03341	2.4
83.04884	6.8
84.02027	4.9
84.76462	1.0
88.98679	2.8
92.62441	0.9
95.04900	1.3
97.02837	1.2
97.06445	2.1
99.08025	2.7
100.51975	0.9
108.92932	1.0
109.06460	1.1
115.07539	2.2
125.06009	1.9
125.09558	2.8
127.07539	12.3
139.07498	3.5
153.12712	1.1
155.10643	2.9
157.08627	1.1
163.11191	5.0
164.15952	1.0
165.12711	3.7
178.09895	3.6
181.12259	1.8
185.11760	14.1
195.10123	1.4
197.11781	15.9
207.10162	1.8
209.11769	100.0
210.12091	4.6
211.13377	1.1
223.13148	1.3
227.12848	4.0
238.12041	5.3
256.13101	3.0
265.18277	1.1
281.17300	0.9
289.18039	5.3
307.19138	68.9
308.19458	5.5
325.09479	2.1
325.16595	1.8
325.20212	26.6
326.20438	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	325.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01788	0.5
59.01250	3.2
70.98875	1.1
70.99203	0.6
78.03356	0.9
80.04927	73.5
81.05274	1.5
83.01257	17.6
85.02813	0.6
88.04003	0.5
94.02812	1.1
96.04425	29.5
110.05997	100.0
111.06322	2.5
114.09145	2.8
118.68503	0.5
122.93121	0.5
140.10674	1.5
142.08661	3.0
142.12265	1.6
168.10194	14.1
170.08249	0.6
170.11761	10.1
173.04329	0.6
196.09718	11.7
205.04926	0.5
263.17590	4.5
281.18680	39.4
282.19077	3.2
307.16620	9.8
308.16776	0.6
310.08539	0.8
325.11707	0.9
325.17606	24.6
326.18011	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	325.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.9
61.44259	0.6
71.01259	1.1
71.57835	0.7
72.79617	0.6
73.02829	0.6
73.31999	0.7
89.02308	1.0
89.03841	2.9
111.93322	0.6
117.03334	8.7
127.92157	0.6
131.03392	1.3
134.03632	87.6
135.03973	3.0
137.00586	0.6
137.02348	0.8
137.38705	0.6
149.04503	3.5
149.06003	6.7
178.02603	0.8
178.57962	0.6
193.04988	100.0
194.05295	4.3
216.27545	0.7
221.67572	0.6
244.81758	0.6
318.48694	0.6
326.02933	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.3
69.03265	0.4
69.33337	0.4
69.69576	2.8
71.01256	0.7
71.68675	0.4
73.02814	0.8
89.02314	1.1
89.03841	3.1
98.19768	0.6
101.02341	0.4
106.04126	0.5
117.03342	12.7
118.03684	0.5
119.04948	0.8
131.03410	0.8
134.03627	100.0
135.03941	4.4
137.02371	0.6
140.52608	0.4
149.02415	0.5
149.04469	3.3
149.05975	7.1
151.13013	0.4
163.50488	0.4
177.65396	0.4
178.02574	0.9
183.06567	0.8
193.04987	91.1
194.05310	3.9
209.04590	0.4
278.44312	0.4
325.09894	0.5
326.03156	0.5
327.68100	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
56.32020	0.6
59.01240	3.9
71.01214	0.9
71.57384	1.1
84.13164	0.7
90.77919	0.6
107.16496	0.8
117.68719	0.7
119.04913	100.0
120.05254	2.6
124.40981	0.8
134.19963	0.8
154.71806	0.7
163.03912	67.8
164.04239	2.9
168.54950	0.9
177.47943	0.8
289.07230	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	2.4
59.01247	26.1
69.03307	3.8
69.87337	2.8
69.87747	5.3
71.01262	4.1
71.04885	2.9
83.04915	2.4
85.02817	1.7
86.70193	1.2
87.00739	1.4
97.02837	2.0
97.06473	1.9
98.19789	2.2
101.02281	1.5
109.06459	5.3
111.08001	2.5
116.87641	1.4
119.04832	1.7
123.08075	2.9
137.09604	1.4
139.21928	1.4
153.09140	1.8
155.10677	1.5
160.93095	1.6
164.01410	1.3
165.12770	8.3
167.10689	2.4
169.12196	1.8
170.76216	1.4
171.10143	5.9
183.10289	1.6
183.13791	7.3
185.11749	3.6
193.12213	3.3
197.11777	13.9
199.13387	1.9
201.11197	3.6
209.11780	3.4
211.13324	94.6
212.13672	5.6
213.11278	5.4
223.13423	1.6
225.14810	2.6
227.12904	1.3
231.09871	1.8
233.11533	100.0
234.11920	8.1
235.13126	1.5
237.14899	5.0
237.18393	1.7
289.18045	2.5
307.19156	3.1
325.10922	2.2
325.14557	3.1
325.20172	48.8
326.20438	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.3
60.80652	0.6
63.04374	0.6
65.65432	0.6
70.96645	0.8
70.96983	1.1
71.01234	0.6
107.46325	0.7
123.04384	1.1
137.06021	0.9
156.04225	1.1
165.09096	0.8
165.12750	2.0
167.14252	1.0
192.60103	0.6
203.14339	1.0
217.15895	1.4
235.13370	1.1
261.22217	4.2
305.21204	100.0
306.21561	6.4
323.22235	20.3
324.22488	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2226
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
52.82110	0.3
57.03260	0.5
59.01191	3.3
70.85944	0.5
71.01195	0.5
82.75216	0.3
85.02773	0.5
89.02267	0.4
96.95787	0.3
97.06403	0.4
98.15106	0.3
101.02251	0.2
113.02283	0.4
113.09538	0.3
121.02752	0.5
123.04319	0.9
127.07469	0.3
133.06392	0.3
137.05893	1.0
137.09543	0.6
139.03889	0.4
139.07503	0.5
151.07579	0.3
156.04129	0.5
161.04399	0.4
162.10382	0.7
165.09108	1.7
165.12764	1.5
167.14328	0.6
179.10663	0.4
189.12701	0.8
191.14296	0.6
193.12238	0.7
198.08946	0.4
207.13794	0.3
207.17296	0.3
209.11693	0.7
217.15854	0.9
225.14870	0.7
235.13283	0.9
237.14941	0.4
251.16516	0.4
261.22211	4.0
279.23380	0.6
287.20090	0.7
289.85562	0.3
305.21194	100.0
306.21530	8.0
323.22253	25.7
324.22482	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	323.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	11.6
60.22680	0.5
71.01242	2.3
71.14075	1.2
73.02830	0.5
75.52038	0.5
78.63940	0.5
85.02840	0.7
85.06451	2.1
87.00733	0.6
89.02306	0.7
101.02294	0.8
113.02319	1.5
113.09544	0.7
123.08067	0.6
139.11140	0.6
151.11182	2.1
153.12819	0.6
161.04416	1.2
171.10178	7.1
183.01033	0.6
193.15895	1.9
205.12383	0.9
209.11809	0.6
209.15404	1.3
220.14728	2.6
221.15257	1.1
223.04225	0.7
225.14906	1.0
231.17369	0.7
234.99190	0.5
237.14934	16.8
305.21222	7.3
321.20538	0.9
323.16833	4.6
323.22244	100.0
324.22598	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	323.2227
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
57.03258	0.4
59.01181	6.8
59.01500	0.8
59.11209	0.3
59.28182	0.3
69.88480	1.9
71.01186	1.1
81.48512	0.3
84.35196	0.3
85.02783	0.3
89.02258	0.7
92.53232	0.3
94.15294	0.3
95.59543	0.3
97.06403	0.4
102.15965	0.3
105.62034	0.3
113.02243	1.1
121.02782	0.6
123.04324	0.9
137.05879	0.9
137.09462	0.5
139.03880	0.4
139.11092	0.6
151.96881	0.3
156.04120	0.6
161.04355	0.7
162.10312	0.7
165.09135	2.1
165.12666	1.5
167.14221	0.8
179.10634	0.3
183.01093	0.4
189.12709	0.6
191.14293	0.4
193.12299	0.5
198.08943	0.5
207.13719	0.5
211.33182	0.4
217.15915	0.6
225.14839	0.6
235.13257	0.7
261.22247	4.1
262.22516	0.5
266.63092	0.4
279.23218	0.7
284.07196	0.4
287.20099	0.4
305.21210	100.0
306.21561	7.6
323.10037	0.6
323.16696	3.2
323.22278	17.5
324.17114	0.4
324.22766	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.207
Annotation	Rapanone
Peak:m/z	Relative Intensity
59.01249	100.0
60.01592	0.9
69.87742	2.0
71.01255	0.5
74.09146	0.3
103.03883	0.7
266.92706	0.4
277.18002	0.9
289.17862	0.3
321.20679	51.9
322.20984	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	322.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.5
63.26751	0.7
65.43257	0.8
71.01277	1.1
71.18649	1.8
89.02296	0.9
96.04431	0.8
96.95935	0.8
113.02369	0.8
116.04935	1.1
118.06499	1.2
128.04964	5.2
131.03651	11.5
144.04457	25.3
145.04768	0.8
146.06018	100.0
147.06342	2.2
158.26273	0.8
162.05463	1.3
172.03969	4.4
190.05017	77.2
191.05341	3.8
322.15848	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	322.2023
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
57.35348	0.1
58.02846	2.0
58.33546	0.2
59.01247	1.9
69.62267	1.1
71.01247	0.4
80.02541	0.1
81.03339	0.6
83.04901	0.2
85.02818	0.2
89.02334	0.2
95.04896	0.8
96.95942	0.2
97.06479	0.5
101.02333	0.3
106.03942	0.1
109.06460	0.5
111.81004	0.1
113.02359	0.2
115.09478	0.2
121.02834	0.3
128.10701	7.2
129.11069	0.4
130.08626	100.0
131.08965	2.3
145.54124	0.2
149.09621	0.1
165.12724	0.8
172.09723	0.3
178.67993	0.1
213.61855	0.2
264.71506	0.2
322.20209	29.1
323.09641	0.2
323.12894	0.2
323.20621	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1862
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03318	6.9
59.01248	100.0
70.80518	7.5
71.01261	20.4
71.04884	8.7
71.97064	2.8
77.78780	2.8
81.03316	5.7
83.01260	6.7
83.04893	6.0
84.01969	2.6
85.02827	12.0
87.00720	3.7
89.02306	8.7
93.03352	4.1
95.04910	18.9
97.02840	3.9
97.06456	10.1
98.19959	3.4
99.00756	4.2
101.02329	5.2
107.04871	3.2
109.06483	6.3
110.03624	3.2
111.08037	3.0
113.02335	12.8
113.05958	8.5
118.46785	3.2
119.04877	5.7
121.02835	11.1
123.08028	3.7
125.09630	9.4
135.08029	11.4
145.55545	2.9
163.11165	5.7
164.90434	3.0
165.01793	6.9
165.12718	7.0
179.10735	3.4
181.12273	6.3
185.11736	6.5
189.12556	2.7
191.10718	5.3
203.14323	3.5
209.11736	58.7
209.13516	5.1
211.13258	3.6
237.14980	26.9
243.17451	4.5
244.01585	2.8
247.13326	5.9
265.14368	10.6
279.19687	3.6
287.16458	14.2
305.17535	17.9
323.09802	6.7
323.18524	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00123	0.3
55.01754	1.0
57.03330	1.0
58.00452	0.4
59.01248	100.0
60.01582	1.0
70.91959	0.8
71.01250	12.8
72.99181	0.5
73.02813	4.9
75.00756	0.5
81.03339	0.4
83.01254	2.4
85.02821	7.1
85.10960	0.3
87.00749	0.8
89.02332	1.2
93.03330	0.6
95.01270	1.3
96.04454	0.3
96.95888	0.3
97.02893	0.3
99.00761	2.1
101.02318	11.2
111.00788	0.3
111.04397	0.5
113.02321	4.4
113.03054	0.4
115.07603	0.3
117.09151	0.3
119.03445	0.4
125.02294	0.4
129.01852	0.3
134.03676	0.4
143.03415	0.4
147.04411	15.2
148.04764	0.8
159.02951	1.3
161.04445	6.2
173.04498	0.9
190.05034	0.6
193.04990	0.6
261.13431	0.6
279.14459	12.5
280.14923	0.7
321.15500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04113	0.9
55.01743	1.1
57.03319	1.4
59.01249	100.0
60.01583	1.0
70.51385	0.8
71.01257	15.4
71.58156	0.9
73.02811	5.2
83.01253	3.6
85.02820	8.4
89.02310	1.9
96.95863	0.9
99.00700	0.7
101.02319	12.5
113.02324	6.6
119.03432	1.0
120.31896	0.7
147.53777	0.7
159.02846	1.1
161.04453	7.9
279.14496	15.7
321.06241	1.0
321.15384	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	319.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14520	1.5
54.42628	1.1
56.31060	1.2
59.01249	13.4
69.76424	4.6
69.76835	3.3
71.01247	4.2
84.04411	1.7
85.02834	1.4
90.17376	1.2
95.04915	1.3
98.20560	1.3
101.02316	1.9
110.02363	3.5
111.78831	1.4
112.03899	9.1
120.04465	2.5
121.05204	3.6
122.06037	6.4
123.03147	15.6
124.03928	13.5
136.07578	46.7
137.05951	4.0
137.07904	2.5
138.05502	100.0
138.26419	1.2
139.05835	3.5
140.07048	4.5
150.05530	2.2
173.04495	1.9
182.04518	14.1
183.05327	8.5
184.06093	29.0
203.08153	3.9
215.04216	2.9
257.12927	13.5
283.07242	4.4
301.08371	1.7
319.13025	8.5
319.21164	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	319.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63085	0.7
58.02848	6.3
59.01254	7.3
63.30861	0.7
69.36710	1.2
69.37115	6.2
71.01267	0.7
72.00774	4.5
75.76329	0.7
82.06493	2.2
85.02779	0.9
91.05407	7.9
98.20577	1.4
112.07556	3.5
118.06487	2.5
126.09145	1.5
129.10228	70.0
130.10553	1.3
135.04413	1.8
147.04405	27.6
148.04823	0.7
153.10252	3.1
154.08641	10.3
156.10201	0.8
164.07079	65.8
165.07407	2.0
171.11298	55.6
172.11649	1.7
178.05157	1.0
183.11217	0.8
206.64046	0.8
216.13757	1.4
231.14989	1.0
231.17577	0.8
233.16542	36.7
234.16846	2.3
275.17609	6.5
277.15524	4.0
306.79187	0.8
319.16614	100.0
320.17004	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	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.3
57.03318	0.9
58.00467	1.7
59.01249	37.4
70.71362	1.7
70.71681	0.7
71.00884	1.3
71.01250	16.8
72.99181	1.6
73.02794	0.9
75.69958	0.8
83.01234	0.8
85.02831	4.1
87.00751	1.6
89.02317	12.1
95.01276	1.7
100.62604	0.7
101.02322	12.0
113.02322	5.5
113.09603	23.1
114.09935	0.9
117.71766	0.7
119.03387	4.9
141.09106	5.5
143.03375	0.8
143.10681	2.0
155.10666	2.3
159.10173	55.3
160.10553	1.7
161.00606	0.6
168.22899	0.7
179.05455	1.1
201.11264	2.2
203.03552	0.9
245.10344	0.7
300.27847	0.7
321.15518	100.0
322.15787	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	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01598	0.4
66.76791	0.4
69.79283	2.4
71.01247	2.8
76.52673	0.4
83.77568	0.4
85.02832	1.4
89.02311	4.0
98.19824	1.1
101.02338	1.9
113.02326	1.0
116.40810	0.5
119.03380	1.3
136.07588	1.7
136.57364	0.4
138.05531	1.1
169.03645	0.4
184.06168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	8.1
67.53614	1.0
69.94844	5.4
71.01237	4.0
72.99161	1.1
84.04401	2.2
93.20567	0.9
95.04916	1.4
108.91330	1.1
109.01556	1.8
110.02339	1.6
112.03931	10.5
120.04420	2.5
121.05215	5.2
122.05993	8.7
123.03152	18.2
124.03944	19.4
134.05948	1.6
136.07579	49.3
137.05942	4.0
137.07841	1.3
138.05496	100.0
139.05873	2.4
140.07051	4.1
150.05495	1.6
158.81488	1.0
182.04521	10.5
183.05251	5.2
184.06065	24.6
203.08167	2.2
215.04248	2.9
242.10544	1.2
257.12964	12.6
264.35614	1.4
282.94485	1.1
283.07193	1.9
299.88425	0.9
319.13062	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	317.0665
Annotation	3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone
Peak:m/z	Relative Intensity
51.62716	0.5
57.03319	14.5
59.51078	0.5
63.02267	3.2
63.54916	0.5
64.07983	0.4
65.00195	6.3
69.03334	1.2
69.41968	4.8
71.01214	0.6
80.26089	0.5
81.03320	1.2
83.01254	9.2
87.18932	0.5
93.03352	0.6
95.01257	8.1
99.00774	0.5
107.01278	4.7
108.02054	1.6
109.02831	1.0
111.00731	3.4
122.03603	2.5
123.00748	4.1
124.01555	15.0
125.02332	100.0
126.02655	2.3
137.02309	1.6
139.00258	1.8
146.03619	1.4
148.01508	0.8
149.02336	3.6
150.03110	2.6
151.00262	13.2
152.01051	24.1
153.01906	3.0
159.04428	0.5
163.03888	1.0
165.05521	0.9
169.01352	1.3
171.04366	0.6
172.05167	1.0
173.04453	0.7
178.99786	11.4
180.00476	0.6
181.12302	0.8
185.05991	0.9
186.06743	0.7
187.03912	1.7
188.04742	2.7
192.04211	8.2
199.03987	0.7
199.13295	2.4
202.06413	0.6
207.06561	8.2
214.06299	2.1
215.03432	1.6
216.04214	2.2
219.93686	0.5
225.11223	1.1
229.04967	1.0
229.08662	2.1
230.05772	4.1
231.06590	8.8
232.07019	0.7
233.04579	1.5
240.04172	0.6
243.12268	1.4
245.08162	1.9
249.07626	1.4
255.11261	0.9
256.03650	0.7
257.04501	0.9
258.05319	5.0
273.07684	12.5
274.04886	4.5
281.10364	0.8
284.03256	1.7
289.07156	74.2
290.07474	4.2
299.05573	2.0
317.06628	63.3
317.16025	2.0
317.19562	1.1
318.07010	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	317.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09627	0.5
53.54011	0.5
59.01254	2.5
63.01980	0.5
63.02264	3.3
63.04081	0.5
65.00196	2.8
67.71061	0.5
68.99684	0.5
69.28235	0.5
81.03324	3.5
81.60387	0.6
91.01766	1.5
93.03327	1.4
95.04861	0.5
102.28960	0.5
105.03342	12.3
107.01263	8.8
108.02034	0.9
110.36451	0.5
121.02863	3.9
123.04416	0.8
124.22285	0.5
148.01558	1.9
149.02339	48.6
150.02692	1.5
154.33768	0.6
161.02362	1.2
163.00264	2.1
163.03891	1.1
167.03384	2.1
185.06006	0.7
197.05998	1.0
199.03920	2.0
200.04713	3.1
205.07724	0.5
213.05408	0.8
214.06384	0.8
215.07143	4.0
216.07297	0.6
224.04718	0.8
225.05505	3.5
225.07457	0.5
226.06273	3.0
241.05035	7.8
241.08644	4.1
242.05782	3.8
253.05063	1.6
254.05835	1.0
257.08112	6.9
269.04510	3.0
270.05331	4.1
285.07663	100.0
286.08044	7.3
303.08850	0.7
317.09698	0.8
317.17606	0.7
317.21179	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	315.0875
Annotation	Teucrol
Peak:m/z	Relative Intensity
50.55558	0.2
62.07859	0.2
65.00187	1.1
69.57697	1.8
70.59692	0.2
80.02554	1.5
89.00195	0.3
91.01778	0.3
93.03340	0.2
95.01265	0.5
97.02805	0.6
107.01266	3.7
108.02052	10.7
121.02837	0.7
123.00789	1.0
134.03592	1.8
135.04422	1.8
136.01552	12.2
137.01947	0.3
149.05968	0.5
149.99518	0.4
151.03864	0.4
164.01062	28.0
165.01846	2.4
179.03416	100.0
180.03746	4.4
196.00061	13.1
196.01907	0.4
197.00400	0.3
210.01567	0.7
228.87543	0.2
285.03986	0.6
292.05103	0.3
299.05664	0.7
300.06345	0.3
315.05066	0.3
315.08746	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	315.0875
Annotation	Teucrol
Peak:m/z	Relative Intensity
55.01748	0.4
57.03313	0.5
59.01249	4.3
65.00189	1.3
67.23330	0.2
68.68216	0.2
69.03323	0.2
71.01255	6.1
71.58638	0.3
73.02815	1.7
80.02543	1.4
83.01270	1.0
85.02821	2.4
85.50095	0.2
89.00230	0.4
89.02332	1.3
91.01772	0.3
93.03307	0.2
95.01270	0.8
97.02805	1.0
99.00772	0.8
99.62702	0.2
101.02327	3.5
107.01265	4.3
108.02053	10.2
113.02320	2.5
119.03377	0.5
121.02850	0.7
123.00769	0.8
124.01483	0.3
134.03624	1.9
135.04466	1.7
136.01563	12.1
137.01939	0.4
143.03477	0.3
149.05945	0.3
149.99512	0.3
151.03906	0.5
159.02914	0.6
160.84212	0.3
161.04459	1.9
164.01062	25.5
165.01808	2.3
166.69279	0.2
179.03416	100.0
180.03764	4.0
196.00064	16.0
197.00386	0.6
210.01643	0.6
232.97533	0.4
257.04520	0.3
272.07135	0.2
284.03439	0.2
285.04004	0.8
299.05588	0.6
300.06137	0.5
315.08771	4.0
315.12601	0.6
315.18362	0.3
316.09055	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.16
Annotation	CHEBI:68171
Peak:m/z	Relative Intensity
59.01244	0.4
70.87804	0.4
72.37231	0.1
93.03291	0.2
103.54527	0.1
111.00745	0.2
121.02808	0.5
131.26196	0.1
132.02069	0.2
133.02844	14.1
134.03639	5.4
134.75572	0.1
135.04417	6.6
136.04758	0.2
137.02336	3.4
139.03888	1.1
150.03125	0.3
151.11121	0.2
161.02341	52.5
162.02669	2.4
171.13702	0.2
172.04391	0.1
178.02620	1.2
179.03409	3.7
232.97488	0.2
315.15979	100.0
316.16315	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	315.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	6.4
56.96038	0.5
57.03320	6.6
57.96135	0.5
58.00463	2.7
59.01249	53.6
69.03326	1.2
69.57756	4.4
71.01252	100.0
71.94512	0.6
72.01568	1.3
72.99171	3.7
72.99519	0.5
73.02818	25.7
75.00755	1.6
83.01254	9.1
85.02822	41.0
87.00753	2.5
89.02313	23.2
95.01250	7.0
97.02847	1.8
98.16859	0.6
99.00751	11.8
101.02319	50.5
102.02682	0.7
111.00734	0.7
112.56721	0.6
113.02327	36.1
114.02672	1.2
119.03380	7.1
119.83542	0.6
125.02344	1.5
129.01791	1.4
143.03410	2.0
159.02922	5.5
161.03192	1.2
161.04469	19.3
196.67628	0.5
205.03557	0.6
225.42404	0.6
238.79930	0.7
241.14020	0.6
315.18051	0.9
326.38062	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2748
Annotation	2-Methoxyoctadecanoic acid
Peak:m/z	Relative Intensity
59.01255	10.8
71.01229	1.3
71.20580	1.4
75.00755	1.0
88.53085	0.8
98.60808	0.9
120.83892	0.8
150.66409	0.8
185.00717	1.9
190.20468	0.9
253.21722	4.4
253.25357	1.8
258.80881	0.8
267.26862	1.0
271.22852	2.6
295.26187	1.2
313.06973	0.9
313.17065	4.6
313.24222	3.4
313.27472	100.0
314.27881	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	314.27
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
59.01250	20.6
62.55201	1.0
71.58210	1.3
74.05965	2.2
79.42558	0.9
93.03305	0.9
94.95240	0.8
96.49673	0.9
118.04966	1.2
145.02840	2.5
188.98491	2.0
217.00211	0.9
232.97505	7.3
251.97124	1.1
268.26401	2.4
270.24442	1.4
272.23083	2.6
292.89853	0.9
314.27008	100.0
315.15930	3.0
315.27789	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.072
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
50.48259	0.7
51.19082	1.0
51.63957	0.7
59.79329	0.9
67.71431	0.7
70.33047	1.7
70.33448	2.0
71.01253	2.6
85.02818	1.9
95.01270	2.4
108.02048	100.0
109.02844	28.1
121.02855	2.3
123.00757	1.6
123.04381	1.6
151.94882	0.9
152.01053	63.1
153.01845	29.2
154.02162	1.2
161.04324	1.1
165.01793	1.2
248.76108	1.0
278.75027	1.1
313.01337	1.0
315.07208	64.8
316.07520	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
50.09212	1.1
52.52825	0.9
64.23024	1.2
68.80309	1.2
71.01245	2.9
71.56732	2.1
74.66573	1.0
85.02821	2.9
95.01272	2.2
101.02343	1.1
108.02046	79.3
109.02848	30.8
123.00726	2.1
123.73934	1.0
125.25484	1.1
135.00706	1.1
135.26488	1.1
144.02904	2.8
151.03868	1.3
152.01047	58.4
153.01839	37.7
154.02176	1.1
163.03918	2.1
165.01825	2.9
225.04123	1.1
225.08765	2.3
243.10001	1.1
315.07199	100.0
316.07538	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	313.2382
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
53.63470	0.4
57.03303	0.4
59.01245	2.5
63.47364	0.3
71.01233	0.4
71.49924	0.5
72.99178	0.5
73.98521	0.3
85.15800	0.4
89.02316	0.8
97.06477	0.5
98.51808	0.3
101.02309	0.4
119.03400	0.4
121.02847	1.2
125.09695	0.4
127.11169	0.8
139.11174	1.2
141.12749	0.5
155.10686	3.4
157.12292	0.5
170.88333	0.5
171.10173	5.5
188.97145	0.6
201.11264	0.9
205.08592	0.5
207.09912	1.2
230.98042	0.6
231.97685	0.5
249.82590	0.3
255.03072	0.5
265.21539	0.5
277.21808	1.1
287.55383	0.4
295.22754	8.0
296.22943	0.7
298.04968	0.5
311.22256	1.6
313.07016	1.3
313.14322	1.6
313.17859	2.9
313.23825	100.0
314.24210	9.1
316.86740	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2383
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
57.03317	1.0
59.01245	1.6
62.27439	0.3
69.03312	0.4
71.01241	0.5
71.04897	0.5
71.57880	0.7
89.02348	0.8
91.12601	0.4
119.04901	0.4
121.02838	1.9
121.30833	0.4
125.09632	1.8
127.11158	0.4
139.11169	1.1
141.12733	0.8
155.10648	0.4
185.11781	0.4
196.44745	0.4
202.76393	0.4
211.13409	0.8
222.01785	0.3
225.05380	0.4
237.78062	0.3
253.09302	0.4
253.21761	0.4
255.02921	2.1
269.04529	0.4
283.02420	1.2
295.22610	0.7
298.04752	3.0
311.22189	1.7
313.07358	4.6
313.23828	100.0
314.07349	0.8
314.24173	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	313.1445
Annotation	bacteriochlorin
Peak:m/z	Relative Intensity
50.33770	0.2
59.01243	0.4
62.99540	0.2
65.00185	0.4
68.98646	0.2
68.99675	0.5
69.03319	0.2
71.01248	1.0
71.58219	0.3
73.02840	0.3
81.03331	0.2
83.74625	0.2
85.02820	0.5
91.01757	1.5
91.05424	0.9
93.03336	4.8
93.06982	0.4
94.03632	0.2
95.01270	0.4
105.06981	2.2
107.04875	0.2
108.02061	3.6
109.02837	21.7
110.03174	0.8
111.00732	0.3
113.02324	0.7
115.05389	0.2
117.06978	1.7
118.04124	0.2
118.25740	0.2
119.04922	3.2
121.02840	53.4
122.03645	13.7
123.00776	2.3
123.04443	4.2
124.01555	3.4
125.02314	0.2
129.06987	0.4
130.04167	0.2
131.04924	0.9
133.02846	0.4
133.06494	2.2
134.03615	0.9
135.04425	1.6
136.01552	0.7
136.05196	10.8
137.02347	10.0
137.03436	0.3
137.05832	0.5
138.03142	1.6
143.04922	2.0
145.02834	0.7
145.06471	0.8
146.03632	9.2
146.71989	0.2
147.04416	29.5
148.04982	1.4
148.06187	0.2
149.02264	0.4
149.05948	0.9
150.03114	4.1
151.03899	2.5
153.01825	0.3
154.02612	4.3
158.03636	0.4
159.04413	7.3
159.08118	0.3
160.05202	12.3
161.02426	2.1
161.05983	67.1
162.06767	39.9
163.03906	1.0
163.07108	1.8
164.04710	2.5
165.05431	1.1
166.06265	0.5
168.04187	4.7
172.05159	0.5
173.05991	7.0
174.06763	2.8
175.03973	4.3
175.07558	18.7
176.04712	7.6
176.08325	9.8
177.05490	3.3
177.09038	1.1
178.06250	1.5
179.03403	0.8
188.04742	0.3
189.05501	0.8
189.09154	2.2
190.06273	6.2
191.06970	0.8
191.10704	0.3
193.05011	1.7
207.06587	0.6
208.03705	0.3
208.06728	0.2
222.05269	0.6
239.07094	0.3
240.07664	0.3
252.08020	0.3
254.05827	0.3
255.10318	1.0
257.08087	0.2
263.07193	0.2
265.08707	0.6
266.09387	0.8
267.06625	0.8
267.10150	0.9
268.07361	2.6
268.10205	0.4
269.11807	0.6
279.10413	0.4
280.11044	1.2
281.08176	0.6
281.11514	0.5
282.08923	2.1
283.09711	5.8
284.09970	0.5
292.88397	0.2
295.13345	0.3
296.10608	0.3
297.11273	4.4
298.12073	27.2
299.12418	1.6
311.12991	0.2
312.09958	0.3
313.14426	100.0
314.14764	8.5
314.18475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70998	1.2
53.65180	1.3
59.01242	8.7
59.96590	1.5
60.15386	1.2
71.49805	1.4
74.98946	19.2
75.96091	2.1
83.64819	1.3
89.02310	2.3
91.02080	100.0
93.00008	31.6
96.36414	1.2
121.02867	1.5
142.14818	1.2
149.04460	1.1
149.33478	1.2
151.05927	1.4
156.26491	1.2
157.87704	1.3
171.10197	1.4
188.97107	1.4
297.04785	2.6
298.04614	1.6
312.22571	3.7
313.07074	2.6
313.11023	1.9
313.17004	1.5
313.23755	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	313.0717
Annotation	Sylpin
Peak:m/z	Relative Intensity
58.01447	0.1
59.01245	0.5
71.37641	0.2
74.23508	0.1
77.03850	0.3
89.02389	0.2
93.03329	0.2
114.34294	0.2
120.46200	0.1
121.02839	100.0
122.03176	2.9
122.78929	0.1
137.46140	0.1
161.54620	0.1
166.72159	0.1
180.05702	1.0
181.06508	5.3
182.06870	0.3
184.70522	0.2
196.92052	0.1
225.05516	7.6
226.05872	0.6
233.88547	0.1
253.09277	0.2
269.08163	0.3
298.04773	0.4
313.07147	14.4
314.07535	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.7
65.00184	2.0
70.15370	1.8
72.54086	0.4
89.00220	0.7
95.11684	0.4
95.15098	0.4
97.02807	1.2
98.20409	0.6
120.68633	0.4
121.02840	50.6
122.03160	1.3
133.02841	3.4
143.04927	0.7
149.99551	0.7
151.00233	0.7
165.01836	6.1
171.04449	0.8
180.05672	0.7
181.06496	1.8
183.04393	1.9
185.02339	0.6
195.04405	0.5
199.03987	0.9
211.03946	3.2
215.03532	0.6
225.05502	3.4
227.03491	2.8
239.03513	1.5
255.02954	94.6
256.03317	5.7
260.65753	0.4
269.04501	2.3
270.05283	1.9
282.01685	1.1
283.02460	80.5
284.02829	5.3
297.03992	4.8
298.04803	69.1
299.05139	5.0
313.07159	100.0
314.07468	8.1
331.14029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
57.03321	2.6
58.00462	0.8
59.01247	4.1
69.03322	0.6
71.26501	1.4
83.04884	1.1
84.02042	0.5
89.09452	0.5
99.08030	3.1
111.08036	0.6
113.09621	4.3
125.09593	1.0
127.07561	1.2
127.11147	1.7
129.09109	7.5
133.31973	0.5
139.11182	4.4
151.11154	0.9
153.09087	0.8
155.10667	3.2
165.09119	0.6
167.10582	0.9
167.14493	0.6
169.12263	2.5
171.10178	21.5
181.12244	5.4
183.10262	1.4
183.13820	2.0
185.11763	2.6
193.12294	1.3
195.13934	0.7
197.11778	11.6
199.13338	5.4
201.11281	3.9
202.11519	0.5
211.13338	19.4
212.13667	1.3
231.21027	0.7
247.16838	0.8
249.22249	1.0
265.21710	0.9
275.20081	2.4
278.55597	0.6
284.72119	0.5
293.21231	21.0
294.21561	1.2
311.13510	3.6
311.22263	100.0
312.22598	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	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.15852	0.3
59.01248	2.5
65.10266	0.3
68.74410	0.3
69.40974	2.4
69.41388	0.7
71.01255	0.4
87.00722	0.3
87.66615	0.3
93.34458	0.3
96.91793	0.3
97.06450	0.5
98.19751	0.7
99.08043	0.6
113.09584	1.3
115.07533	1.5
123.48672	0.3
127.07549	0.6
128.08328	0.6
139.11172	0.6
165.12650	0.3
167.14339	3.5
168.91492	0.4
171.10164	0.6
172.10600	0.4
173.10614	0.3
183.13773	2.7
195.13831	11.9
196.14247	0.7
197.02707	1.3
211.13316	1.4
213.14819	1.3
229.14157	0.4
239.23694	0.4
241.14384	0.4
242.15140	0.9
243.93410	0.4
249.22192	0.6
265.21695	0.8
267.23340	0.5
275.19992	0.7
283.22717	0.6
293.21191	9.1
294.21463	0.5
295.64929	0.3
311.17145	4.4
311.22247	100.0
312.22601	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.3
58.85547	0.7
59.01244	3.2
62.63437	0.7
65.02224	0.7
68.47704	0.7
71.50143	0.8
75.87336	0.8
83.04907	0.8
85.19894	0.6
89.88078	0.7
97.41581	0.6
113.09610	0.9
118.30791	0.7
121.02838	1.0
123.95084	0.8
124.14863	0.6
125.09602	0.7
127.11139	0.8
131.52303	0.6
137.09593	0.7
138.49759	0.6
139.11191	4.9
154.09853	1.9
167.14345	1.2
171.10159	5.4
177.12741	3.0
180.82321	0.6
181.12207	0.8
182.32399	0.8
193.12303	1.0
193.25714	0.7
195.13844	2.3
196.14574	1.2
211.13370	2.2
249.22188	3.8
293.21204	76.2
294.21597	5.1
296.07120	0.8
311.22247	100.0
312.22650	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	311.2227
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03310	1.0
59.01234	1.3
69.03295	0.7
70.64304	1.4
72.38881	0.5
83.04890	0.6
97.02835	1.1
97.06468	1.5
99.08047	1.1
113.09604	3.5
116.69463	0.5
121.10110	1.6
125.09618	1.8
127.11185	1.7
137.09641	1.0
139.11183	19.1
140.11502	0.7
149.09644	0.6
153.08987	0.8
155.10678	1.4
160.34766	0.6
163.11185	1.7
165.12790	0.9
167.10715	1.2
171.10182	27.0
172.10498	1.4
178.72079	0.6
182.13124	0.7
183.13744	0.8
185.11758	2.0
186.27444	0.6
190.89442	0.7
193.12230	1.2
195.13785	1.0
201.11259	1.6
211.13316	2.5
249.22224	2.1
275.20145	1.4
293.21204	49.6
294.21515	3.2
311.22256	100.0
312.22635	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
57.03324	2.8
59.01258	2.5
70.64268	2.0
78.31147	1.1
84.75996	1.0
100.08524	1.0
121.10152	2.8
123.08005	1.0
125.09617	3.5
127.11182	4.4
137.09590	1.2
139.11194	16.8
142.12021	1.1
155.10651	3.2
167.10677	1.1
171.10181	84.2
172.10521	2.8
183.10234	6.6
185.11761	18.5
193.12262	2.2
201.11256	11.7
275.20181	6.5
293.21240	24.7
294.21503	2.7
311.22272	100.0
312.22726	7.8
313.35757	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.94531	0.8
52.55019	0.9
52.95568	0.8
59.01247	9.8
61.76608	1.0
61.77743	1.1
69.03310	1.5
69.59296	6.7
71.01241	1.0
97.06461	15.9
98.19793	1.9
101.02345	0.8
125.24325	1.0
142.96568	1.2
160.97618	1.4
168.91475	2.0
183.13821	13.1
191.01910	1.1
193.12282	1.2
195.13823	47.6
211.13322	29.7
212.13609	0.9
213.14897	21.8
214.15257	1.6
251.11243	1.5
263.20145	16.2
264.20316	1.2
275.20145	1.7
281.21140	3.1
293.21170	3.4
311.22260	100.0
312.22549	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04994	0.3
51.70440	0.3
52.09151	0.3
52.35386	0.3
55.01754	0.5
59.01248	1.1
65.18015	0.3
66.03359	0.4
69.27399	1.6
69.27825	1.8
71.01256	0.5
78.03371	1.2
83.01250	6.3
85.02840	0.4
94.02850	1.1
96.04422	100.0
97.04739	2.3
98.20647	0.5
109.47043	0.4
112.23389	0.3
112.30614	0.3
114.09140	5.1
122.02370	0.7
124.03918	0.7
131.03389	0.5
140.10703	0.4
142.08612	1.6
144.02972	0.4
164.07100	0.5
168.10201	5.0
170.11765	3.6
196.09705	5.6
196.60364	0.3
209.09282	1.2
217.13643	0.3
225.05074	0.3
249.16107	1.8
267.17111	17.2
268.17459	1.4
293.15036	5.3
296.06903	0.4
307.94385	0.3
311.09473	0.6
311.16071	11.1
311.29587	0.3
312.16562	0.8
321.35709	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1864
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
53.01417	0.4
57.03305	0.8
59.01245	5.0
59.37434	0.4
69.87319	1.2
69.87749	1.7
71.01251	0.5
84.56126	0.4
86.01392	0.4
96.84588	0.5
98.20451	0.6
107.15100	0.4
121.02853	2.5
122.03653	1.0
123.08033	0.5
126.03161	0.6
142.96504	0.7
145.80605	0.4
156.83600	0.5
157.08644	0.7
167.14236	2.2
168.04181	0.6
171.10168	0.9
173.84001	0.5
201.11267	2.6
204.52101	0.4
207.17477	0.6
211.13489	0.6
211.17165	0.5
218.39450	0.4
223.20619	1.5
234.05493	0.4
249.18546	5.4
250.19157	0.5
260.78345	0.5
267.19629	100.0
268.19986	8.1
275.16495	7.6
276.17026	0.6
293.17578	37.4
293.20624	1.7
294.17822	3.2
311.18613	32.1
311.22208	8.8
312.18948	2.8
312.22275	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0982
Annotation	Vicianose
Peak:m/z	Relative Intensity
52.70556	2.6
59.01246	66.7
61.75934	2.5
69.03332	3.5
69.72598	13.3
69.73003	7.2
71.01250	52.3
72.99164	9.1
73.02802	11.6
75.00749	6.1
83.01204	3.1
83.47334	3.0
85.02798	13.3
87.00750	34.4
89.02323	55.5
90.61941	2.8
95.01207	3.3
98.19807	3.7
98.82405	2.7
99.00751	3.2
101.02322	25.3
103.00218	4.8
103.03893	3.4
104.93122	2.6
105.93811	2.7
113.02342	16.8
115.00222	12.9
116.88129	2.9
119.03422	15.7
131.03371	7.9
132.78552	2.8
133.01286	14.1
149.04407	5.0
165.14706	2.9
205.28334	2.9
237.06216	3.5
293.05096	10.2
311.06134	13.4
311.09750	100.0
312.09790	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	311.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01587	1.0
60.05756	0.5
62.76877	0.6
68.01972	0.5
69.57335	4.2
71.01257	4.0
73.02835	1.1
74.92648	0.5
76.94124	0.6
85.02831	1.9
89.02309	0.8
93.79029	0.6
101.02338	2.0
107.20668	0.6
109.02842	1.4
113.02348	0.9
123.46845	0.5
149.04552	0.7
159.97374	0.7
161.04498	1.6
170.37344	0.6
193.02122	0.6
260.55026	0.6
269.10382	1.8
296.10504	0.8
311.12970	0.8
316.09961	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.0
55.61660	1.2
58.85234	1.0
59.01249	100.0
67.74451	1.0
69.53360	7.0
71.01247	6.9
73.02837	2.1
74.07674	1.2
85.02810	3.8
101.02341	3.4
101.29830	1.1
105.13006	1.1
113.02335	2.8
161.04495	3.8
192.28143	1.2
269.10321	4.1
272.73883	1.0
311.29373	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.8
59.01236	2.8
69.66775	5.3
71.53942	0.8
79.95605	3.0
81.03323	2.0
83.04898	4.2
85.06503	1.0
86.43323	1.0
95.04891	2.0
96.95892	30.5
97.06460	10.9
107.97689	0.9
109.06516	1.0
111.08043	9.7
122.97469	1.3
147.11688	0.9
151.03964	1.3
151.07542	2.7
152.08356	1.4
163.11205	3.3
165.12758	100.0
166.13133	5.2
183.13826	46.7
184.14133	1.5
190.09903	0.8
208.75076	0.8
209.11800	6.8
209.15421	3.3
209.89464	0.7
212.64565	0.8
227.12852	4.9
265.21747	2.9
291.16266	0.8
291.19757	2.2
301.22540	0.9
309.17410	37.8
309.20691	3.3
310.17657	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	311.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85968	0.5
59.01249	2.6
69.18156	0.4
71.01250	5.3
73.02820	3.9
75.00754	0.5
79.69600	0.4
84.86141	0.5
87.00732	2.3
89.02318	24.0
103.03883	1.7
107.04944	0.5
119.04962	0.5
131.03389	6.1
133.02864	1.1
134.03651	2.0
135.04417	22.9
136.04767	1.0
149.04463	100.0
150.04755	2.7
161.02359	3.3
165.04004	1.3
179.03416	16.4
236.32388	0.4
296.10208	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
56.40207	1.3
57.03323	1.8
59.01230	4.6
59.06919	1.2
67.01750	2.2
68.44364	1.4
69.03310	2.6
71.01237	2.0
71.04884	3.4
80.02525	9.0
81.03308	5.0
83.04894	29.1
84.02051	13.0
85.02802	1.9
95.04915	1.7
95.46808	1.5
96.95890	1.4
97.02823	2.0
97.06445	5.5
98.19817	5.4
99.00759	2.0
99.08012	7.7
101.40226	1.5
109.06451	3.8
111.07994	2.0
113.09594	2.1
115.07500	6.0
123.04395	2.5
123.08047	1.7
125.09658	7.5
127.11140	3.4
135.08002	2.1
137.09616	46.2
139.07445	1.5
139.11183	10.3
148.05183	5.8
151.03891	2.2
151.07515	5.6
151.11171	5.6
152.08290	4.6
153.09071	12.7
155.10670	51.7
156.10985	3.5
159.08620	1.3
165.12698	1.8
167.10632	2.9
169.12215	2.2
171.10181	54.5
172.10480	2.7
176.99467	1.6
179.01678	2.2
180.04201	8.8
193.12271	30.8
194.12602	1.5
209.11697	6.4
209.15408	8.8
211.13295	6.0
223.16905	2.5
231.75687	1.5
247.20639	7.7
263.20163	6.1
265.21606	4.6
281.20929	2.1
291.19647	100.0
292.19952	9.3
309.14685	3.4
309.17062	9.9
309.20624	76.0
310.20975	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Gallicynoic acid D
Peak:m/z	Relative Intensity
58.00449	1.6
59.01233	3.1
59.69896	0.9
69.03291	1.7
71.44981	1.9
83.04855	0.9
83.59870	0.9
93.06956	1.3
97.06454	1.0
111.08042	28.9
116.55142	0.8
119.08551	1.0
127.07533	2.2
132.41075	0.8
137.09622	1.2
151.11153	2.1
152.08351	1.5
153.12723	1.7
169.12262	6.7
171.10191	2.9
181.12218	2.7
183.13834	1.4
197.11772	100.0
198.12160	4.4
199.13284	4.0
211.13338	9.7
225.14853	1.7
227.12749	2.0
263.20184	8.3
265.18063	3.4
273.18570	1.9
291.19638	20.0
292.19830	1.3
309.17191	2.3
309.20651	33.6
309.24265	1.7
310.20956	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38590	1.4
57.03305	1.7
58.43153	1.3
59.01242	3.9
69.03322	4.3
71.20230	1.9
71.20567	2.2
71.74818	1.1
83.04898	1.8
92.69778	1.5
96.51053	1.2
107.08559	2.3
119.08559	13.3
124.87462	1.3
125.09612	8.7
127.11176	2.2
135.08084	2.0
137.09622	33.1
141.18275	1.4
151.11092	1.5
155.10698	5.8
167.10666	3.7
171.10191	100.0
172.10530	2.8
183.10229	6.0
185.11765	22.9
195.10239	2.1
197.11804	3.1
199.35834	1.6
201.11264	6.3
209.15387	2.0
213.11287	8.9
229.19574	3.3
273.18631	11.8
274.18854	1.4
291.19626	33.2
292.20148	1.7
305.91342	1.3
309.17307	2.1
309.20657	35.6
310.20944	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.2
58.00472	2.4
59.01256	2.0
69.03304	2.5
71.04889	1.7
71.13599	3.2
97.06479	2.3
103.67947	1.3
109.06513	1.7
111.08042	34.1
113.70373	1.4
115.94370	1.2
127.07567	1.7
137.09601	2.5
138.11644	1.5
152.08212	1.6
153.12733	2.3
169.12167	6.4
171.10173	4.2
181.12241	3.6
183.13788	2.5
195.13853	1.5
197.11766	100.0
197.90211	1.3
198.12099	5.7
199.13329	4.9
209.15421	12.1
211.13380	8.8
212.13672	1.5
223.16946	3.4
225.14903	8.1
227.12744	3.9
233.15343	1.9
251.16411	8.0
263.20117	4.9
265.18066	3.6
272.09470	1.4
273.18494	3.3
291.19623	24.9
292.19943	2.6
309.17245	2.7
309.20667	44.0
310.20871	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	309.2071
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
52.47261	1.1
55.01747	1.4
57.03322	2.7
59.01246	7.4
59.73577	1.3
69.03339	2.2
71.01232	1.3
72.95778	1.4
80.02537	1.9
81.03329	2.2
83.01257	8.4
83.04905	4.6
89.02384	1.4
90.26568	1.3
95.04890	2.4
97.06461	5.1
98.03615	1.3
98.90974	1.4
109.02947	1.3
111.08044	1.3
113.09673	1.2
123.04413	4.4
123.08054	3.2
125.05993	2.6
125.09610	12.4
127.11201	2.7
132.50465	1.2
134.39931	1.2
135.08064	1.7
137.09602	1.8
139.11177	12.4
141.24426	1.2
151.03902	3.1
151.07567	4.7
152.08322	2.6
155.10658	1.4
156.85849	1.3
163.11220	8.3
165.12753	14.7
167.10651	6.2
171.10146	5.8
179.10706	1.8
180.04344	1.3
181.12285	4.0
183.13797	1.6
184.07353	1.2
185.11830	3.5
191.10774	3.4
191.14372	1.5
193.15939	6.2
197.11665	1.5
198.29216	1.3
207.10303	1.5
209.11760	60.8
209.15196	8.4
210.12115	2.5
210.15677	1.3
211.13342	2.6
219.17390	2.0
225.60275	1.4
247.20648	15.9
265.17966	2.1
265.21735	4.7
267.53970	1.2
273.18549	6.1
281.21255	3.4
291.19650	100.0
292.20041	10.7
309.14658	2.7
309.17081	10.0
309.20508	34.8
310.17288	2.2
310.20697	2.2
328.95615	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30145	1.4
57.03323	2.9
58.00467	1.8
59.01236	1.8
69.03331	4.2
69.65911	2.0
70.81597	2.8
70.81930	2.9
71.04926	1.7
73.34869	1.7
83.04891	1.9
104.41200	1.4
119.07839	2.0
119.08568	20.6
121.10069	2.3
123.08065	1.9
125.09599	5.8
127.11132	3.0
127.42228	1.5
135.08070	3.7
137.09618	39.4
139.11148	2.0
155.10687	5.6
167.10619	3.3
169.81876	1.9
171.10175	100.0
172.10492	4.4
183.10184	3.3
185.11777	26.4
195.10196	2.4
195.13860	1.7
197.11761	3.0
201.11296	9.4
213.11211	9.3
213.23749	1.7
224.06970	1.6
225.14853	2.0
229.19603	3.0
247.43471	1.8
273.18552	12.7
274.19174	1.9
291.19647	33.7
292.20029	2.6
309.17349	3.2
309.20679	70.0
310.20963	6.6
320.62204	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28584	1.0
57.03300	2.9
57.65055	1.0
58.34451	1.0
59.01243	2.4
64.10043	1.0
69.03324	6.9
70.85983	2.8
77.75769	1.2
80.92987	0.9
81.03340	1.4
81.59204	1.0
83.04902	2.9
87.04346	1.0
95.04917	1.0
97.02822	31.8
97.06481	2.6
111.08074	1.2
119.08530	2.6
125.06019	1.4
125.09607	3.2
137.09608	5.7
163.11223	2.2
165.12759	10.7
171.10201	17.2
179.14400	1.4
181.12361	2.2
183.13811	3.2
193.12254	4.9
193.15858	2.6
195.13838	3.5
209.11765	4.4
211.13281	3.0
221.11555	1.7
221.15459	3.5
223.13361	3.9
227.12793	6.5
233.15381	1.2
239.16568	1.4
247.20587	9.0
251.16542	4.5
273.18683	4.2
291.19650	100.0
292.19952	6.9
309.20697	79.2
310.21075	6.7
313.97522	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41625	1.1
57.03322	2.0
59.01228	2.8
69.03323	6.5
70.86803	1.6
70.87134	2.4
71.04897	1.2
74.50877	1.0
81.03318	1.7
83.04898	2.2
85.02827	2.8
95.01244	1.6
97.02824	30.4
99.00751	6.5
109.06454	1.8
111.00777	1.4
111.08047	3.3
113.09603	1.3
119.08545	14.2
121.10114	1.8
123.08070	1.8
125.09600	6.1
127.11127	1.8
135.08017	2.6
137.09622	25.1
141.12679	1.3
149.09596	1.3
151.03920	19.4
151.07544	32.6
152.08330	35.4
153.08713	2.3
155.10663	1.6
163.11188	2.2
165.12724	2.5
167.10675	1.6
171.10178	55.1
172.10571	1.6
181.12297	1.9
183.10112	1.9
183.13818	2.2
184.07292	4.7
185.11761	11.7
190.09839	3.2
193.08568	2.9
193.12126	1.3
195.10126	3.3
195.13914	2.1
197.11745	6.7
201.11269	2.9
207.10229	1.5
208.10905	5.1
209.15402	50.6
210.15758	2.6
211.13240	4.2
213.11189	3.7
221.11812	3.4
229.19603	2.8
233.15326	1.3
239.12901	2.5
247.16943	3.0
247.20616	4.5
251.16444	1.2
252.09946	10.9
263.19775	1.3
265.18073	11.8
266.18515	1.2
273.18582	9.0
291.16324	4.0
291.19629	61.3
292.19843	5.3
309.17032	83.3
309.20685	100.0
310.17368	9.2
310.21078	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.3
59.01238	1.3
71.18675	0.7
73.02816	0.4
78.43193	0.3
79.05399	0.3
89.02328	0.5
96.95863	0.9
99.00733	0.4
125.09624	0.4
137.09639	0.6
139.63623	0.4
148.05193	46.7
149.05539	2.1
149.12416	0.3
151.03912	0.9
151.07547	2.1
152.08292	1.3
165.05461	1.0
166.91971	0.4
171.10194	1.1
179.01642	6.9
180.04193	100.0
181.04530	2.8
197.02707	0.7
209.15454	2.9
227.06709	0.3
229.14423	1.2
247.20662	0.4
257.15497	0.6
265.18423	0.6
265.21756	2.4
291.19629	1.8
309.15286	5.4
309.16904	2.8
309.20779	2.4
310.15479	0.6
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
59.01239	0.9
69.95518	1.2
72.15933	0.3
79.95602	9.6
80.96384	1.4
94.97962	0.6
95.01317	0.3
95.95104	2.5
96.19552	0.3
96.95884	89.3
98.20523	0.5
111.33256	0.3
122.97469	3.3
138.96930	0.4
151.03964	0.7
151.07532	1.1
152.08305	0.7
191.86212	0.4
209.15303	1.7
265.18015	0.6
281.25366	0.3
309.17383	100.0
310.17715	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38124	0.4
51.50785	0.3
59.01249	1.8
60.20910	0.4
61.98685	0.4
70.71526	1.0
71.01255	0.8
85.95731	0.4
97.02814	2.9
97.06435	0.5
119.37974	0.4
137.09592	1.3
166.91978	0.4
171.10265	1.8
176.98018	0.4
185.11754	0.5
195.13811	0.6
199.51384	0.5
201.17589	0.4
209.05977	2.5
227.07063	1.3
233.15349	0.4
237.05562	2.5
238.06287	7.7
239.07047	5.5
250.06322	1.4
252.07840	1.4
253.08670	1.3
255.06555	3.0
262.06302	1.3
263.07004	0.4
266.05798	2.2
267.06592	29.9
268.06885	2.0
269.08139	0.9
273.18567	0.5
280.07431	1.8
281.04990	0.8
281.08157	13.4
282.08597	0.8
290.05942	0.7
291.06512	1.4
291.19623	4.5
292.07382	0.8
308.06940	1.6
309.07648	100.0
309.20609	8.9
310.08047	9.7
310.21109	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2278
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
70.45335	1.7
70.45680	0.8
90.65786	0.6
98.19716	0.7
135.04420	0.9
164.01825	0.6
179.03403	1.3
276.89999	0.6
302.95200	0.6
307.22766	100.0
308.23126	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	308.09
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84419	0.6
56.67472	0.5
59.01248	2.0
63.61153	0.6
71.01255	0.8
71.57455	0.6
71.57823	0.8
74.54341	0.5
74.56173	0.5
85.02822	1.5
91.05399	0.9
107.04903	2.4
108.02037	3.6
109.02856	0.9
111.00720	0.7
121.02825	3.2
122.03638	0.7
124.01556	6.7
125.02357	3.3
126.03151	1.3
133.13148	0.5
134.03632	3.1
135.04413	100.0
136.04726	5.5
137.02315	0.8
149.05983	0.7
150.03123	3.7
151.03908	13.7
161.02402	0.9
163.03931	0.6
163.21362	0.5
179.03448	5.7
180.03784	2.9
195.30026	0.6
308.08826	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05235	0.2
57.03321	0.3
58.56272	0.2
59.01244	1.6
60.95354	0.2
65.17474	0.2
71.04888	0.3
71.58130	0.3
72.68225	0.2
79.81873	0.2
93.47479	0.2
97.02842	0.3
97.06467	0.3
104.07593	0.2
111.08025	0.7
125.09637	0.2
148.03908	0.3
157.17506	0.3
166.91960	0.3
171.10117	1.2
197.11769	1.5
209.06020	1.0
209.15422	0.4
211.07584	1.0
211.13310	0.5
221.06067	1.5
222.06801	1.2
223.07428	0.3
224.04753	0.5
225.05544	0.4
226.96779	0.3
233.15329	0.3
235.07640	0.5
237.05460	0.6
238.06258	0.8
239.07080	18.5
240.07410	1.1
241.04810	0.3
249.05460	0.3
250.06334	3.4
251.07092	1.4
251.16479	0.5
252.07799	0.5
253.04921	0.3
253.08699	2.6
254.05754	0.7
262.06372	0.6
263.07150	0.6
264.07828	0.3
265.04971	0.4
266.05817	0.5
267.06598	50.4
268.06924	3.8
270.05273	0.4
273.18558	0.4
279.06696	0.4
280.07297	0.3
281.08167	16.2
282.05380	0.7
282.08499	1.3
291.06516	1.3
291.19614	2.5
292.07419	1.1
293.08218	0.3
294.05447	0.5
295.05606	0.3
308.06915	1.2
309.07651	100.0
309.20636	6.4
310.08023	8.9
310.21368	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
55.71513	1.8
57.03319	13.9
59.01247	14.7
69.03329	4.4
69.58566	15.6
71.01244	16.2
80.02549	4.3
83.04884	5.6
85.02820	3.3
93.03319	2.8
95.04906	5.2
97.06467	22.2
109.02814	2.5
109.06449	4.2
111.08031	14.6
121.02842	3.4
121.06478	7.7
121.43735	2.1
123.04388	4.2
123.08023	2.3
125.09592	13.0
127.11179	3.2
135.04401	7.4
135.08034	4.2
137.06067	2.2
137.09633	5.6
140.03433	1.9
149.09564	4.3
151.07486	2.7
151.11182	29.9
153.05412	2.2
153.09091	6.3
153.12701	2.2
155.10674	10.2
157.12233	2.2
163.11183	6.9
165.12770	30.1
167.10632	5.9
169.12172	5.2
171.10136	13.1
177.12781	5.3
179.03421	9.4
179.10637	11.2
181.12239	38.0
185.11726	14.8
191.10707	15.2
191.14294	8.5
200.10585	1.9
205.12183	2.6
209.09869	4.3
209.11763	65.5
210.12242	3.1
211.13373	9.6
235.20688	2.6
239.09090	3.9
245.19064	46.2
251.19931	2.5
261.18750	3.5
263.20169	14.6
271.17010	5.0
279.19617	10.1
289.15158	3.6
289.18115	49.0
290.18298	3.7
307.10712	2.7
307.19122	100.0
308.19449	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	307.1912
Annotation	Albocycline
Peak:m/z	Relative Intensity
59.01240	33.0
61.98736	4.4
71.01264	10.9
71.04891	8.4
71.58076	5.9
71.58524	6.3
73.02818	9.0
79.95612	6.5
85.02785	5.5
89.02350	11.6
96.95874	6.3
99.04409	33.3
101.02375	5.2
121.02843	6.5
123.08076	13.6
135.04408	16.8
153.09068	5.3
168.88974	8.3
179.03410	20.1
221.15358	26.6
245.19006	11.3
249.14989	5.0
264.87076	5.6
289.18069	100.0
307.10696	8.3
307.19138	97.6
308.19312	17.2
316.93390	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43777	0.5
57.84234	0.4
59.01023	0.4
59.01252	4.2
69.03308	0.9
69.55087	3.4
71.04882	5.3
80.02527	1.3
81.03323	2.4
81.06502	0.5
83.04890	1.6
95.04895	2.1
96.95875	0.5
97.02834	0.9
97.06461	0.7
98.03616	1.3
106.04122	0.9
109.06474	14.4
111.04404	6.7
111.08026	1.5
112.05179	0.9
121.06500	0.5
121.10117	0.6
123.08039	1.7
127.07555	3.7
135.04413	2.0
135.08049	0.7
137.05946	0.6
137.09570	1.2
143.10667	1.7
145.06464	2.2
149.05966	0.7
149.09608	1.2
151.11194	0.9
156.23857	0.4
161.02423	0.5
163.11179	0.7
167.10696	2.0
169.12332	0.5
177.09102	0.6
177.12639	0.5
179.03383	1.5
179.10666	1.5
182.17580	0.5
186.99205	0.5
191.14276	0.7
193.27455	0.4
195.13835	4.0
215.14391	0.5
235.13289	1.8
245.19055	5.8
247.01141	0.8
249.14864	0.7
251.16415	0.5
262.27420	0.5
271.17041	1.7
273.14938	1.0
284.14200	0.5
287.16452	2.4
289.18076	100.0
290.18414	6.7
303.05301	0.4
307.10519	0.7
307.19147	10.3
308.19479	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.7
57.03316	5.8
59.01255	6.0
65.03833	24.6
67.27847	1.1
69.03327	2.7
69.30868	13.3
70.67456	1.3
71.04891	17.6
79.05402	2.0
80.02537	1.9
81.03312	1.6
83.04891	8.9
85.06483	1.4
89.02308	1.3
93.03334	23.4
95.04923	1.9
97.06467	34.2
97.75215	1.2
106.04116	2.9
107.04942	2.6
109.06485	2.8
111.04414	2.9
111.08070	2.1
117.06995	20.0
118.07398	1.6
119.04919	4.7
119.07891	0.8
119.08543	33.8
120.05713	3.0
121.06484	39.6
123.08025	3.5
125.09620	30.7
126.09982	1.2
127.11168	1.3
128.73627	1.3
133.06479	7.0
134.71593	1.2
135.04407	3.8
135.08054	100.0
136.08389	3.5
137.09610	4.8
138.06729	1.9
153.98724	1.3
163.11000	1.8
171.10181	65.3
172.10509	2.4
179.03436	1.9
185.11736	32.9
191.98825	2.1
205.15855	3.4
209.11748	17.1
211.13332	18.2
212.13652	1.6
221.15282	1.6
231.13914	2.3
233.15385	8.5
235.13358	31.6
235.15500	1.1
236.13716	1.7
244.14322	1.3
245.19069	4.9
249.14912	9.5
252.13724	2.2
261.18597	3.6
271.17023	5.4
279.19638	6.6
289.18097	81.4
290.18460	6.0
307.10474	2.2
307.19128	40.9
308.19568	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
57.03310	9.1
58.31081	3.5
58.44043	3.1
59.01244	23.9
59.34602	3.4
60.85967	3.5
68.53930	2.8
69.03307	3.9
70.24792	3.4
71.01248	10.6
82.39159	3.0
83.04898	5.8
85.02842	4.6
89.02354	4.8
95.04919	5.5
96.95935	4.8
97.02843	3.4
97.06462	18.0
98.03622	5.6
101.02292	4.8
111.08039	11.4
121.02847	7.1
123.04372	4.8
125.09615	6.1
127.11208	3.6
135.04411	14.5
137.02327	5.0
137.79073	3.5
149.09581	3.7
151.11145	23.1
153.12802	4.9
155.10683	13.3
161.04492	4.9
161.14989	3.4
163.11150	4.5
165.12733	26.8
167.10706	3.7
176.63658	3.4
179.03419	8.1
179.10718	6.3
181.12271	21.0
191.10686	10.7
191.14363	7.0
205.12386	4.7
209.11775	49.5
211.13315	7.8
224.38332	3.4
229.75974	3.7
239.08925	3.8
245.19084	46.9
246.19518	3.3
246.44827	3.0
247.01204	4.3
263.20245	8.0
275.81458	3.6
289.18079	54.8
307.10477	8.9
307.19110	100.0
307.22458	6.5
308.19562	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83359	2.0
55.01750	4.6
57.03316	5.1
59.01252	16.5
61.98691	5.6
62.72840	2.3
65.03831	64.4
71.04885	42.0
71.58344	3.8
73.02819	2.6
83.04890	5.6
88.21056	2.3
89.02313	4.5
95.04887	2.7
97.06470	67.9
101.02345	2.5
102.83846	2.1
112.41003	2.2
119.03339	3.5
119.08559	22.8
121.06480	93.2
122.06782	3.5
123.08057	3.7
125.09606	45.9
135.04405	10.2
135.08012	4.8
137.09596	9.8
139.33014	2.8
162.83771	2.6
171.10146	5.1
179.03401	9.3
185.11749	86.3
209.11752	35.3
211.13347	33.4
223.13196	2.3
235.13359	100.0
236.13698	7.2
245.19060	3.3
247.01315	3.2
249.14882	4.6
279.19656	3.5
289.18085	34.0
290.18530	2.7
303.73367	2.4
307.10086	8.4
307.19174	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1398
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01748	1.1
57.03323	0.7
58.00461	1.5
59.01247	47.1
63.75523	0.7
69.13931	0.6
69.71935	1.7
69.72350	3.9
71.01250	21.8
72.99168	2.0
73.02826	1.3
82.83737	0.7
83.01266	1.6
85.02829	4.7
87.00732	1.1
89.02318	18.8
95.01241	1.2
96.95853	1.8
99.08034	22.2
101.02318	13.7
111.04086	0.8
113.02327	7.8
119.03405	7.2
127.07589	3.9
129.09065	1.7
135.04430	3.9
141.09117	1.3
145.08612	65.3
146.08940	1.7
161.02344	1.2
161.04451	1.2
179.03416	2.5
187.09663	1.2
188.50540	0.7
240.50189	0.8
307.13971	100.0
308.14276	5.0
313.38583	0.8
315.68213	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.2
58.00447	1.3
59.01249	33.2
61.49512	1.0
66.36368	0.8
69.53551	4.6
69.53974	3.3
71.00885	1.5
71.01250	18.3
72.99189	1.8
73.02814	2.2
83.01258	1.6
85.02831	6.1
87.00728	1.2
88.03930	0.8
89.02317	15.9
95.01285	1.3
96.95898	1.5
98.20556	1.1
99.08024	18.3
101.02322	15.5
113.02323	7.8
119.03409	6.7
125.94850	0.9
127.07554	4.5
129.09071	1.2
135.04404	5.3
141.09068	1.5
145.02930	1.2
145.08606	59.3
146.08957	1.4
161.04399	1.1
162.87448	0.9
179.03355	4.5
187.09715	1.2
276.19336	0.9
307.13968	100.0
308.14352	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	307.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09172	0.5
57.03315	1.7
59.01234	1.4
60.01264	0.6
61.00887	16.3
69.03305	0.9
70.02828	1.6
71.01247	1.0
71.56375	0.7
71.56780	0.8
72.00779	4.1
72.99171	1.3
73.02814	1.5
82.02846	4.6
84.04419	0.7
85.02818	2.2
87.00739	1.4
87.04382	2.1
89.02322	3.0
96.04411	1.4
98.02360	1.9
99.00725	1.6
99.02474	1.0
100.03936	1.7
101.02318	2.8
112.03914	1.1
113.04061	2.7
115.01962	16.2
115.04952	0.6
128.03406	5.7
129.03520	2.4
131.03351	0.8
137.07121	1.1
143.04498	1.7
143.08138	1.1
144.02922	18.0
149.04453	2.5
149.07080	0.8
157.03043	34.0
158.03371	0.9
171.07686	1.7
175.04099	33.7
185.09290	0.7
199.07196	5.3
211.07190	1.9
217.08234	1.6
229.08286	6.4
241.08301	1.1
245.08257	0.9
247.06633	1.0
247.09328	10.1
259.09280	4.2
277.10394	5.5
289.10501	2.6
289.13962	0.5
307.08392	100.0
307.11490	11.3
308.08655	5.4
308.11594	0.6
327.14307	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10821	0.6
59.01251	100.0
71.01255	4.6
72.01662	0.7
73.02835	2.4
73.84489	0.6
79.82903	0.6
80.04946	1.3
83.01292	1.2
85.02825	3.3
85.77466	0.6
89.02270	0.6
97.02838	1.0
98.20540	1.7
99.00748	0.9
101.02321	5.5
102.95532	0.7
113.02360	1.5
133.02870	2.2
134.03671	0.9
161.04524	2.1
161.29523	0.6
178.02655	0.7
248.38680	0.6
260.98495	1.0
262.11020	1.1
263.14954	4.9
302.60748	0.6
306.07333	1.1
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	Ovalimethoxy II
Peak:m/z	Relative Intensity
57.03323	2.9
59.01247	21.7
61.46674	1.5
61.98698	1.7
63.97351	1.5
65.03835	2.7
65.19594	1.6
69.03301	2.9
69.54681	3.2
69.55088	9.9
71.01271	2.2
71.04892	10.1
79.05396	12.9
93.03331	1.8
94.04070	1.8
95.04938	2.7
97.06468	12.3
106.04119	8.4
107.04900	1.7
109.06448	3.0
117.07016	2.4
120.05692	7.7
121.06513	4.9
123.08061	4.4
125.09609	17.3
133.06430	1.9
135.08055	100.0
136.08409	3.9
141.01587	7.3
152.91655	1.8
163.11113	2.1
183.10197	2.0
185.11743	4.1
189.12810	2.4
205.15904	6.3
209.11682	3.0
231.13899	2.0
243.17453	2.6
249.14919	43.0
250.15276	1.8
263.16339	2.1
269.15424	2.0
277.17999	5.5
287.16522	12.2
305.08218	5.5
305.17569	74.6
306.17886	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	305.2485
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
58.42736	1.1
59.01214	1.2
61.71184	1.2
64.07291	1.1
69.94591	3.6
69.95004	2.5
74.32738	1.1
78.74386	1.1
79.12270	1.2
85.16028	1.0
86.37244	1.2
98.20450	1.3
177.33989	1.1
183.06897	1.2
305.24860	100.0
306.25195	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	307.084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	1.1
61.00890	18.1
69.80941	3.1
69.81353	2.6
71.01252	1.6
71.46661	0.9
72.00787	1.7
73.02818	1.1
76.18488	0.9
81.80056	0.9
82.02838	1.6
85.02796	2.0
87.04392	2.8
89.02329	2.6
92.30081	0.8
98.02370	1.2
99.02448	1.2
101.02325	2.3
101.88191	0.9
113.04044	2.6
115.01969	16.9
128.03412	2.5
129.03523	2.7
131.03352	1.4
137.38226	0.9
141.20895	1.0
144.02933	4.8
149.04424	4.7
156.03418	1.3
157.03035	42.4
159.23708	0.9
164.12038	1.1
166.86702	1.0
174.04379	1.1
175.04102	44.0
176.04387	1.9
181.74925	0.9
189.00688	0.9
196.29593	0.9
199.07164	2.2
211.07236	1.1
229.08185	2.2
245.08270	1.5
247.06453	1.8
247.09337	3.4
259.09180	1.1
276.45804	0.9
277.10464	2.6
286.38861	1.1
307.08417	100.0
307.11334	4.9
308.08841	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	305.1394
Annotation	14-Hydroxyplatensic Acid
Peak:m/z	Relative Intensity
59.01248	3.5
71.26718	0.5
71.27046	0.4
73.31512	0.3
79.41126	0.4
88.56409	0.4
91.19347	0.4
93.03346	0.6
96.95899	0.5
107.64934	0.4
108.02053	2.8
111.94495	0.4
121.02892	0.5
122.03600	2.6
125.02361	0.5
136.01552	9.2
141.01556	1.4
147.04343	0.6
149.02347	1.0
150.03127	11.8
159.04338	0.5
161.02359	1.3
161.05891	0.5
162.03029	0.5
175.03903	5.5
176.04700	14.8
177.05235	0.5
182.02115	5.9
189.05486	1.7
194.36922	0.4
243.13884	2.5
259.13364	5.6
261.14905	1.1
277.08603	1.2
277.14398	0.7
287.12860	35.2
288.13181	2.0
305.08163	4.5
305.13922	100.0
306.08591	0.4
306.14285	7.6
315.17612	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02847	46.7
59.01239	0.5
59.03218	0.3
70.02872	0.3
70.60323	1.0
80.99200	0.3
98.19860	0.4
105.22720	0.3
146.89037	0.4
168.13846	100.0
169.14214	4.0
212.12860	4.0
213.13283	0.3
304.19122	0.7
321.67822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2283
Annotation	Samandarine
Peak:m/z	Relative Intensity
55.26604	0.5
58.02823	0.5
59.01239	3.0
69.65114	2.0
69.65520	1.2
86.05983	39.9
87.00763	0.8
98.19863	0.7
113.97001	0.5
130.05020	1.1
141.01585	1.9
156.44205	0.6
166.80209	0.5
168.13832	1.0
180.77362	0.6
262.21722	1.7
271.87601	0.5
304.22800	100.0
305.23209	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38008	0.5
57.03320	0.6
58.92297	0.6
59.01254	3.1
64.94233	0.6
69.03327	1.5
71.01247	10.2
73.02818	0.7
83.04877	1.1
85.02820	1.5
96.95882	0.9
97.02846	2.2
97.48812	0.6
101.02310	2.1
111.08033	7.2
129.09085	0.8
133.02843	1.0
135.04456	0.7
144.07993	0.7
145.07610	19.8
145.08710	1.2
146.04752	1.4
146.07976	0.6
155.06960	0.7
158.08356	1.0
159.05516	3.8
159.09198	2.5
160.06325	68.6
161.07106	100.0
162.07457	3.1
168.31964	0.6
171.09258	2.0
173.08221	9.9
173.10710	9.6
175.08675	47.0
176.09030	2.2
183.09201	1.7
185.10764	5.8
186.07904	2.1
187.08681	18.0
189.06609	80.2
190.07068	4.6
199.08754	2.3
201.10257	30.0
202.10579	1.0
203.08185	24.2
203.11804	23.0
203.13745	0.8
204.08456	1.8
204.12196	1.9
211.08694	1.2
215.08261	1.1
217.09798	2.0
219.27629	0.6
229.09772	58.0
229.32353	0.7
230.10150	3.9
233.06079	1.1
245.09360	1.8
259.10953	1.0
277.11908	8.2
287.10507	0.8
305.04422	2.1
305.11417	37.2
306.11957	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43489	0.4
58.00457	1.0
59.01254	4.4
62.01829	0.3
63.97718	0.4
71.01250	20.3
71.58325	0.6
79.81999	0.4
81.91927	0.3
83.93929	0.4
87.00750	1.8
89.02317	2.1
93.03320	0.6
111.08035	0.6
113.42928	0.4
121.71071	0.5
123.00765	0.5
128.77220	0.4
139.85239	0.4
151.00330	0.4
155.10663	0.6
161.02428	0.5
165.12773	3.5
167.14371	0.6
173.04491	0.5
179.14301	0.6
183.13829	7.0
184.14015	0.7
193.12276	1.6
203.14339	0.5
209.11673	0.4
211.13327	100.0
212.13664	5.6
213.14917	3.6
223.13367	0.9
228.40996	0.4
235.13326	0.8
241.14400	13.9
242.14685	0.7
247.13443	0.8
253.14420	2.5
255.15958	2.9
265.14432	4.0
271.15433	0.5
283.15536	1.4
300.99911	2.0
301.03125	0.5
301.16534	1.5
301.20276	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	301.1659
Annotation	Viridamine
Peak:m/z	Relative Intensity
54.16833	0.3
55.08368	0.3
60.97379	0.5
70.96616	0.7
73.81528	0.2
74.98952	0.5
105.17091	0.3
118.96092	0.5
134.99298	5.7
136.97206	2.5
141.07291	0.4
143.05226	0.4
150.98683	0.5
159.08412	0.9
161.06303	6.8
201.04024	0.5
203.05585	3.2
205.03525	1.0
215.05574	0.8
217.07162	84.9
218.07266	5.1
235.08165	0.5
240.55891	0.3
261.06186	0.6
285.13467	36.7
286.13663	2.8
301.16595	100.0
302.16757	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	303.0511
Annotation	(+/-)-Taxifolin
Peak:m/z	Relative Intensity
55.50156	0.5
56.53843	0.5
57.03321	16.9
59.01246	2.3
63.02258	0.9
64.83849	0.5
65.00189	1.8
71.01244	0.6
71.58353	0.8
72.99149	0.6
81.03344	1.0
83.01257	8.5
85.02827	0.7
90.92876	0.5
93.03318	0.9
94.02853	2.7
95.01271	0.7
107.01267	2.5
107.04913	0.5
108.02066	1.3
108.04401	0.8
109.02825	3.9
111.00742	1.1
121.02850	2.3
122.05988	1.7
123.00768	1.0
123.04385	6.7
124.01544	1.8
124.07586	1.3
125.02335	100.0
126.02670	3.0
133.02831	1.0
136.07591	2.6
137.02330	1.3
139.03902	2.1
143.04900	0.6
145.02846	0.8
147.04446	2.9
149.02356	5.7
150.03152	7.5
150.71138	0.5
151.00272	8.8
151.03920	10.0
152.01079	5.0
153.01852	7.3
160.05121	0.6
161.02333	1.7
161.05959	0.9
163.03902	0.7
163.97293	0.6
165.05527	0.7
168.06572	3.3
169.01311	0.9
171.04411	1.6
172.05110	0.9
173.02251	1.0
173.06033	1.5
174.03163	4.6
175.03915	19.0
176.04164	0.6
177.01859	18.9
178.02246	0.7
178.99783	8.9
180.00209	0.7
181.01382	2.5
185.05965	0.8
188.04662	1.7
189.05490	5.3
191.03398	1.0
193.05017	3.1
198.03076	0.7
199.03944	9.5
200.04225	0.7
201.01855	2.8
213.05521	2.1
216.04262	1.7
217.05009	12.0
219.02905	0.9
231.06586	1.9
235.06001	0.7
240.04282	0.6
241.05002	6.8
242.02171	0.8
243.03104	1.7
243.12578	0.7
257.04413	1.3
259.06140	5.6
275.05640	6.1
285.04031	64.0
286.04404	4.0
303.05130	7.0
303.13400	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	301.108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51920	1.2
59.01252	7.2
59.57949	1.3
61.98698	3.6
68.67784	1.0
69.92103	4.9
71.84464	1.1
77.03821	6.1
77.81112	1.1
86.50758	1.2
93.03329	1.8
96.89651	1.0
105.03342	6.6
107.01275	3.7
107.04901	2.9
119.04923	8.7
121.02814	1.0
123.00768	4.0
135.04427	12.6
136.44333	1.1
138.03163	1.8
139.03925	1.2
157.06512	1.3
163.03912	42.8
164.04231	1.8
165.01895	2.5
182.07301	1.2
183.13811	2.6
184.05197	6.5
185.06052	5.2
197.09624	1.6
199.07567	13.6
217.07025	1.8
219.00610	1.5
225.09138	10.7
237.29422	1.1
237.60327	1.1
241.08656	19.9
269.08185	100.0
270.08514	7.1
300.99966	15.5
301.03107	1.9
301.16711	2.2
302.17368	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1596
Annotation	2,4-Bis(1-phenylethyl)phenol
Peak:m/z	Relative Intensity
51.47416	0.6
70.91689	1.3
86.01304	0.5
123.00738	1.9
136.64951	0.5
138.03151	1.2
151.00235	1.2
217.07129	4.6
233.30632	0.6
233.79095	0.6
270.03098	0.7
285.13467	1.3
286.13571	1.4
300.99817	6.6
301.03397	2.0
301.15970	100.0
302.16290	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	301.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.0
67.94422	0.2
69.51978	1.5
89.02319	0.3
91.03868	1.0
111.08046	0.6
165.12758	3.8
183.13824	100.0
184.14174	4.5
184.15852	0.2
209.11758	2.4
227.12828	5.3
251.67035	0.2
256.87204	0.2
300.99954	0.6
301.16553	8.8
301.64862	0.2
302.16901	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75958	0.2
59.01247	1.1
70.92461	0.6
82.83337	0.2
89.02313	0.4
91.03875	0.8
98.39799	0.2
107.72366	0.2
111.08048	0.4
117.78384	0.2
119.64163	0.2
123.00745	0.2
134.28236	0.2
151.00294	0.2
165.12744	3.9
183.13818	100.0
184.14154	4.8
209.11769	2.2
227.12823	4.8
245.01019	0.2
268.43857	0.2
283.99384	0.2
286.03833	0.7
300.99933	1.5
301.06564	0.6
301.16565	9.6
302.00052	0.2
302.16843	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.4
70.24509	0.7
90.86555	0.1
99.92422	0.1
117.03343	13.8
118.03594	0.3
119.04912	3.5
121.02837	3.7
123.04414	1.3
133.02847	0.8
134.03635	0.3
142.77692	0.2
145.02847	66.5
146.03162	2.4
151.11136	0.3
153.12752	0.3
162.03134	1.2
163.03931	1.9
174.99161	0.5
184.14771	0.2
217.00211	1.4
299.16495	100.0
300.16830	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	299.2014
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
59.01250	0.8
70.87833	0.3
70.88173	0.2
73.56269	0.2
115.88231	0.2
117.03327	0.2
119.04875	0.2
138.12755	0.1
145.02783	0.2
174.99135	0.2
217.00264	0.4
284.03293	0.3
299.20139	100.0
300.20486	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	299.259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	8.9
70.34663	0.5
71.57783	0.7
82.52076	0.5
86.47042	0.4
99.92391	0.5
103.02661	0.4
117.03319	3.6
119.04889	1.8
121.02834	1.2
123.04444	0.5
138.05443	0.6
143.31738	0.4
145.02849	11.3
162.03098	0.6
163.03860	0.6
174.99142	2.2
193.41678	0.5
217.00247	10.7
218.00554	1.0
236.17879	0.5
252.46400	0.5
253.25299	3.9
281.24823	1.4
297.24222	1.0
299.05469	0.7
299.16537	20.2
299.25885	100.0
300.16858	1.7
300.26221	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	299.2591
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
57.99827	0.5
59.01249	12.1
71.15988	1.3
99.92433	0.8
117.03352	3.4
119.04909	2.3
121.02840	1.2
138.05513	0.6
145.02847	13.5
163.03839	0.7
174.99167	3.1
178.53418	0.6
188.33318	0.5
195.68987	0.6
217.00235	11.9
218.00557	0.7
253.25333	3.3
274.52899	0.6
281.24802	1.2
284.03351	1.2
285.88779	0.6
297.24261	0.7
299.05753	1.1
299.09219	1.6
299.16574	25.4
299.25885	100.0
300.16766	1.5
300.26212	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	299.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91954	0.7
58.00455	1.3
59.01251	20.1
64.38947	0.5
65.00189	2.1
69.92416	2.2
69.92825	1.4
71.01257	11.2
71.01636	0.4
72.99181	1.1
73.02805	0.7
83.01247	0.8
84.91628	0.6
85.02811	2.2
85.51524	0.6
89.02316	16.4
91.01765	15.8
95.01256	1.5
101.02325	7.5
108.02035	5.2
111.00775	1.5
113.02324	4.6
116.29613	0.6
119.03416	5.7
119.04921	8.6
123.00753	1.2
123.04409	42.2
124.01556	2.3
124.04764	1.6
137.02368	1.9
137.06003	1.3
138.05518	2.3
149.04483	2.0
152.01057	2.4
167.03419	100.0
167.40038	0.6
168.03784	3.8
168.43307	0.7
199.36714	0.6
213.64374	0.6
233.98630	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.6
65.00187	0.2
67.60915	0.2
71.01235	0.2
71.57928	0.2
71.58341	0.2
79.01762	0.7
83.15714	0.2
93.03350	0.2
94.04107	0.3
95.01254	0.3
107.01247	0.3
108.02028	0.8
111.04405	0.4
119.04903	1.2
121.02834	2.3
122.03619	9.4
125.40578	0.2
128.50122	0.2
130.08600	0.3
133.02870	0.5
135.00757	0.7
135.04402	0.3
136.01552	6.1
137.02318	0.6
138.05504	0.2
140.11829	0.2
149.02348	4.5
150.03123	17.9
151.00270	0.2
151.03419	0.6
163.00281	0.4
163.03893	0.3
164.01047	2.7
166.02660	0.6
174.99126	0.4
177.01868	0.5
178.02621	19.0
179.03371	1.3
182.02129	2.5
193.04982	100.0
194.05333	4.0
199.03879	0.7
201.01860	0.2
203.55147	0.2
203.94806	0.2
210.01633	22.9
211.01962	1.1
212.41977	0.2
215.03442	0.4
217.00201	1.5
223.33124	0.2
225.11296	0.7
227.03477	0.5
243.03117	0.3
256.03781	0.3
262.33826	0.2
271.02435	3.3
272.02985	0.4
284.03259	1.5
299.02179	3.6
299.05585	1.4
299.08957	3.0
299.15637	0.4
299.18964	0.2
299.22302	0.3
299.25745	0.2
300.02512	0.7
300.05679	0.3
300.09500	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0923
Annotation	(-)-Variabilin
Peak:m/z	Relative Intensity
59.01250	5.0
65.00181	0.6
65.24606	0.3
66.23011	0.3
69.36931	1.7
69.37354	1.2
69.48429	0.3
74.74282	0.3
79.01775	0.4
93.03311	0.4
96.22865	0.3
98.20533	0.6
107.01292	0.4
108.02045	1.1
116.07066	0.4
119.04919	2.6
121.02829	1.4
122.03620	9.8
123.03979	0.3
124.01534	0.5
135.00760	0.8
135.14680	0.3
136.01561	6.1
137.02332	0.6
149.02348	3.4
150.03127	18.5
151.03362	0.5
163.00270	0.8
164.01077	2.4
165.01846	2.8
174.99142	1.4
178.02629	21.0
179.03174	1.4
182.02119	2.1
191.03386	0.3
193.04982	100.0
194.05281	4.1
210.01639	17.7
211.01958	0.5
211.10805	0.3
217.00235	5.7
241.04982	0.5
256.07532	0.4
268.03897	0.4
269.04453	0.5
283.06064	1.4
283.99478	0.3
284.06900	1.3
299.05621	0.9
299.09186	9.9
300.09653	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1651
Annotation	4-Androsten-3,17-dione 19-aldehyde
Peak:m/z	Relative Intensity
59.01252	1.4
70.24509	0.7
90.86555	0.1
99.92422	0.1
117.03343	13.8
118.03594	0.3
119.04912	3.5
121.02837	3.7
123.04414	1.3
133.02847	0.8
134.03635	0.3
142.77692	0.2
145.02847	66.5
146.03162	2.4
151.11136	0.3
153.12752	0.3
162.03134	1.2
163.03931	1.9
174.99161	0.5
184.14771	0.2
217.00211	1.4
299.16495	100.0
300.16830	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	299.056
Annotation	Koparin
Peak:m/z	Relative Intensity
59.01244	2.1
63.02248	0.5
65.00173	1.5
68.99657	1.3
69.57072	2.4
79.11532	0.3
80.02538	0.3
81.49274	0.3
83.01246	0.4
91.01740	0.6
94.00452	0.6
98.19770	0.3
98.23985	0.3
107.01269	1.5
108.02013	1.3
109.99954	0.7
123.00736	0.4
125.02345	0.3
128.75600	0.3
132.02058	0.7
133.02853	0.6
134.03583	1.3
135.00786	1.2
136.01527	1.1
136.98637	0.4
148.01534	0.5
149.02367	0.5
149.99477	0.7
151.00275	2.8
153.01846	0.7
155.04919	0.5
158.03609	0.6
171.04459	0.6
172.05200	1.1
174.03111	0.7
174.99123	0.4
175.03870	0.5
176.01067	0.4
183.04436	1.9
184.05109	0.5
186.03076	0.4
188.04605	0.6
194.60423	0.3
199.03951	6.2
200.04713	8.5
210.03094	0.4
211.00880	0.3
211.03954	5.0
212.04680	3.1
214.02556	1.0
216.04019	0.4
217.00285	2.1
227.03439	27.4
228.04085	4.2
232.03677	1.1
239.03453	7.0
240.03941	0.9
255.00272	0.4
255.02948	8.8
256.03717	15.0
257.04181	0.7
267.03058	0.6
283.02502	1.3
284.03247	100.0
285.03577	6.3
288.02676	0.6
299.05594	65.7
300.05957	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	299.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62991	0.3
59.01257	2.3
65.00211	1.4
68.99692	1.4
71.07101	0.7
91.01770	0.4
93.03297	0.4
95.01265	0.7
107.01283	0.8
108.02040	1.1
109.99970	0.7
119.04902	0.6
121.02831	0.6
122.03619	1.4
123.00774	0.4
132.02026	0.6
133.02850	0.6
133.90440	0.4
134.03595	1.2
135.00774	1.5
135.04443	0.3
136.01555	1.3
137.02402	0.6
140.32600	0.3
145.02803	0.3
148.01579	0.6
149.02397	0.9
150.03157	2.4
151.00304	1.8
153.01862	0.9
155.04900	0.5
158.03644	0.7
161.02324	0.6
171.04463	0.6
172.05280	0.8
174.03120	0.4
178.02625	2.5
183.04460	1.4
184.05255	0.4
186.03110	0.6
193.04987	13.6
199.03914	5.3
200.04716	7.0
201.05095	0.5
210.01605	3.2
211.03940	4.3
212.04668	2.9
214.02757	0.5
217.00223	2.1
225.11316	0.8
227.03445	21.5
228.04187	3.0
232.03745	1.1
239.03468	6.3
240.04080	1.1
255.02960	8.1
255.80472	0.4
256.03738	12.8
257.04105	0.4
271.02524	1.0
276.91092	0.4
283.02475	1.3
284.03256	100.0
285.03607	5.3
288.02805	0.5
299.05594	59.9
299.22232	0.6
299.25632	0.6
300.05954	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	299.056
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86803	0.3
59.01245	3.0
63.58083	0.3
65.00166	1.2
68.99641	1.1
69.36940	3.0
75.34911	0.3
83.01205	0.4
89.10090	0.3
91.01737	0.6
95.01250	0.5
96.81663	0.3
107.01221	1.1
108.02026	1.0
109.99977	0.6
119.04862	0.4
123.00726	0.4
132.02031	0.4
133.02818	0.8
134.03568	1.0
135.00752	1.1
135.04318	0.3
135.61591	0.4
136.01511	0.9
136.98637	0.4
137.02283	0.4
149.02277	0.4
149.99477	0.5
151.00290	1.5
153.01778	0.9
155.04945	0.5
158.03534	0.5
171.04419	0.5
172.05144	0.9
174.52122	0.3
174.99092	0.6
175.03905	0.5
176.01151	0.5
183.04387	1.1
184.05118	0.4
187.03951	0.4
188.04678	0.6
188.16187	0.3
199.03920	5.5
200.04703	6.2
201.02019	0.4
201.04984	0.5
211.03908	3.8
212.04735	2.7
214.02760	0.4
215.03403	0.4
217.00279	3.4
225.11198	0.8
227.03445	19.7
228.04163	4.0
232.03593	0.8
239.03497	6.5
240.04173	1.2
255.02975	8.7
256.03735	12.9
257.04163	0.8
283.02530	1.0
284.03247	94.0
285.03580	5.4
288.02747	0.5
299.05594	100.0
300.02966	0.3
300.05942	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	297.1705
Annotation	Tetranor-PGD1
Peak:m/z	Relative Intensity
57.03315	1.1
59.01249	11.5
61.18428	0.8
68.99716	1.7
69.03320	4.2
71.01251	7.5
71.04888	14.7
71.58485	1.2
73.02781	0.7
83.03102	0.7
83.04890	3.4
85.02814	2.0
89.00514	0.8
89.02315	5.6
101.02313	3.3
108.16343	0.8
109.06464	5.7
111.08042	3.3
113.02314	1.9
118.79019	0.8
119.03381	3.3
123.08058	2.6
135.06502	1.4
151.11209	2.0
161.04381	1.8
165.01865	1.5
179.05522	1.2
181.15875	2.1
191.14317	2.3
193.15858	1.6
209.19058	2.1
217.15924	18.3
218.16261	1.9
225.05530	1.4
225.14937	1.9
235.16985	42.8
236.17322	1.7
249.14987	2.3
253.04968	6.5
253.18010	11.3
261.14850	4.7
267.15924	1.3
269.04492	2.1
279.16013	2.6
282.05356	1.8
297.04254	1.6
297.12241	5.7
297.17047	100.0
297.24155	9.3
298.04584	1.2
298.17404	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	297.2434
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
53.12167	0.4
59.01248	4.9
59.01809	0.4
59.25779	0.4
71.01250	1.3
83.90569	0.5
85.02818	0.9
89.02297	2.0
97.11458	0.5
101.02316	1.6
103.20246	0.5
113.02315	0.9
115.95076	0.5
119.03361	1.0
135.06534	0.6
158.10350	0.4
183.01111	8.9
184.01840	1.1
197.02763	0.6
216.00786	0.7
251.23778	1.1
263.50531	0.4
272.46545	0.4
279.23300	0.8
284.88614	0.4
295.22858	1.0
297.12064	1.4
297.15268	22.7
297.24323	100.0
298.15598	1.8
298.24631	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	297.098
Annotation	Chakanoside I
Peak:m/z	Relative Intensity
58.00464	2.1
59.01249	26.8
60.01574	0.8
61.00335	0.5
64.17436	0.5
70.32946	2.0
71.01251	17.2
72.64626	0.5
72.99174	4.7
75.00761	0.7
75.26296	0.5
82.06511	0.5
85.02834	2.2
87.00739	0.6
89.02312	19.9
96.04437	1.8
101.02334	1.5
103.81670	0.5
111.99072	0.5
113.02338	1.3
119.04916	6.0
131.03438	0.7
135.04446	3.1
137.68295	0.6
147.04413	100.0
148.04768	4.0
149.04471	1.5
154.63069	0.5
165.05484	31.7
166.05843	1.3
297.09760	33.1
297.24380	3.5
298.10107	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	297.1495
Annotation	CHEBI:70700
Peak:m/z	Relative Intensity
57.03329	1.4
59.01248	11.7
71.01256	5.9
71.58226	0.8
72.99200	1.1
73.02856	1.2
81.29105	0.7
84.41389	0.6
85.02835	1.5
88.54601	0.6
89.02318	6.8
93.03330	12.3
98.29801	0.6
101.02321	4.7
106.04118	12.8
108.01401	0.8
108.02036	3.5
113.02352	2.2
119.03368	2.8
119.04857	1.0
121.06475	1.1
129.73534	0.5
132.05728	0.6
135.04402	0.9
135.06519	2.6
138.03171	1.6
139.51396	0.6
161.04457	1.4
172.88478	1.1
179.05513	1.9
191.10693	100.0
192.11006	6.8
203.10725	4.6
214.89597	1.4
237.09781	0.8
266.11475	0.6
282.05267	1.6
297.07620	1.3
297.11847	4.0
297.14899	32.3
297.24237	7.0
298.04684	0.6
298.15198	3.1
317.39523	0.6
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	Unknow
Peak:m/z	Relative Intensity
57.03309	2.2
59.01249	7.4
69.03300	0.9
69.65260	4.9
71.01241	1.8
74.27582	0.6
77.32781	0.6
85.02833	0.7
89.02335	0.8
96.95867	1.4
98.95462	3.5
98.96326	0.7
99.08045	0.9
101.02336	1.1
125.09650	1.2
127.11095	1.1
140.83882	0.7
151.09677	0.7
155.14325	1.5
161.04457	1.0
171.10175	48.4
172.10556	2.0
183.10199	2.6
185.11647	0.8
195.13802	2.0
213.18610	1.2
251.23679	1.0
277.21716	58.6
278.22086	5.5
295.17459	3.9
295.22775	100.0
296.17853	1.2
296.23169	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	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30792	0.4
57.03302	1.1
59.01249	5.5
66.64864	0.4
68.02406	0.6
70.11648	1.2
70.12054	1.3
71.01254	1.5
80.63514	0.5
85.02792	0.5
89.02297	0.6
96.95927	0.7
97.06501	0.5
98.95472	2.6
99.08022	0.7
101.02357	0.6
102.90902	0.6
111.08051	0.5
113.02328	0.8
113.09630	3.1
129.09061	0.5
131.38126	0.6
133.04953	0.6
164.74542	0.5
177.12685	0.5
179.14381	0.7
183.13853	3.6
195.13858	26.1
196.14131	0.8
197.94377	0.6
277.21710	24.2
278.21985	1.0
295.22775	100.0
296.23108	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	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
51.16302	0.3
53.28537	0.3
57.03314	0.9
59.01257	3.2
71.01255	0.7
71.06892	0.7
97.06461	0.4
104.85590	0.3
105.12181	0.3
113.09608	2.4
121.50108	0.3
136.04993	0.3
158.99658	0.3
171.10144	1.0
177.12776	0.8
179.14323	0.7
181.12247	0.6
195.13826	18.3
196.14117	0.7
225.36395	0.3
251.23538	0.3
277.18173	1.9
277.21689	18.2
278.22018	1.0
295.22760	100.0
296.23138	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	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
50.35487	0.5
56.98017	0.4
57.03322	0.8
59.01239	2.1
69.03313	0.7
71.01248	0.7
71.06835	1.1
73.63906	0.5
73.85220	0.5
85.44537	0.6
99.08037	0.7
108.77915	0.6
125.09615	1.3
127.11170	0.5
141.12718	1.4
151.11189	0.5
160.19547	0.4
171.10172	39.0
172.10513	1.5
183.10127	2.7
195.13826	1.5
207.89900	0.4
233.22632	0.6
259.20602	0.6
277.21710	51.2
278.22037	4.1
293.20776	0.4
295.22760	100.0
296.23096	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21564	0.3
59.01249	16.9
65.86312	0.3
69.91164	0.3
71.01247	0.4
97.98460	0.3
99.92448	0.5
120.39674	0.3
138.35431	0.3
159.83669	0.3
165.12791	0.4
183.13815	17.2
184.14124	0.8
195.13824	15.9
196.14180	0.6
211.13281	0.5
213.14893	100.0
214.15213	5.4
220.38969	0.4
220.59966	0.3
223.13129	2.0
235.13068	2.5
236.13649	0.4
250.86607	0.3
253.12944	0.4
261.42487	0.3
267.12085	1.8
279.12036	1.3
283.14005	0.6
285.66251	0.3
295.15219	8.1
296.14291	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2276
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
57.03318	1.0
59.01244	11.6
65.37811	0.8
71.01247	3.0
71.29742	2.2
79.09180	1.1
83.01285	1.0
101.02281	1.3
111.08034	2.1
113.02316	1.3
113.09600	3.4
157.08604	79.8
158.08958	2.0
209.15359	1.1
229.96411	1.1
277.21707	62.8
278.22028	4.3
291.12445	1.1
295.10370	1.6
295.22760	100.0
296.23160	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	295.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	6.0
61.83582	1.1
68.99680	2.4
70.85983	2.8
71.01243	6.6
71.73621	1.0
72.24751	1.1
73.02817	4.8
81.37549	1.1
87.00755	2.4
89.02318	28.4
96.02849	1.1
103.03861	2.5
110.06001	1.4
111.62181	1.2
115.00097	1.4
119.04915	79.1
120.05228	3.3
131.03416	6.9
135.16920	1.5
145.02782	1.3
149.04460	98.9
150.04846	1.3
163.03918	100.0
164.04240	3.9
186.31740	1.4
295.16367	1.2
308.74872	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
50.52294	0.5
50.81000	0.5
59.01244	1.3
61.36045	0.5
65.88229	0.4
68.02385	0.9
70.44724	0.8
70.45060	0.8
71.01241	1.5
71.67694	0.4
96.95886	6.5
99.07949	0.7
104.48415	0.5
125.09561	0.8
127.11166	1.0
139.11182	12.1
140.11496	0.7
153.09084	2.4
167.14377	0.5
171.10173	51.0
172.10512	1.6
219.31537	0.5
220.14598	1.6
221.15469	2.8
236.10464	2.5
265.21689	2.7
275.20026	1.0
293.18073	5.8
293.21191	100.0
294.18298	0.6
294.21524	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
57.03305	0.6
59.01247	3.8
61.98687	1.0
68.02406	3.4
71.01258	2.3
71.57864	0.4
78.04979	0.5
78.95739	1.0
81.77807	0.5
85.02810	0.8
89.02316	1.2
89.56672	0.4
95.04845	0.7
101.02342	0.5
111.08041	0.8
113.09599	0.9
113.53479	0.5
121.10106	1.1
124.25455	0.5
136.08842	2.8
152.91667	1.3
161.04417	0.9
166.90976	2.8
167.10693	1.1
171.10226	2.3
177.09175	0.6
179.14255	0.6
192.11496	2.4
193.15909	7.4
194.92754	1.0
195.13823	13.8
196.14314	0.7
200.57683	0.4
205.12227	1.9
205.15948	0.7
210.90021	3.1
211.13307	0.9
220.14647	4.3
221.15417	9.1
223.13330	9.9
224.13805	1.2
228.13570	1.6
229.64680	0.5
231.21089	0.6
235.16986	2.5
236.10486	7.0
249.18590	2.9
256.13190	3.3
265.21594	0.7
275.20145	12.8
276.20413	1.1
293.08731	2.1
293.21182	100.0
294.18222	1.0
294.21539	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68644	0.8
57.03314	1.1
59.01249	7.1
59.78983	1.0
61.98692	1.4
68.02401	6.6
69.03307	1.9
71.01241	3.4
71.13626	2.2
78.95798	1.2
85.02799	0.9
89.02307	2.0
119.03406	0.8
122.54739	0.8
123.07988	1.0
125.61555	0.8
130.32872	0.9
131.03397	1.3
136.08791	2.2
139.11191	0.8
151.11186	2.3
152.91631	2.7
153.12859	1.0
161.04430	1.8
166.90962	3.1
169.12263	2.4
178.74800	0.8
192.11440	1.9
193.15927	3.1
194.92821	2.4
197.11761	37.7
198.12074	2.0
210.89861	4.9
217.78612	0.9
220.14581	6.7
221.15395	13.3
236.10468	9.5
249.18610	1.3
249.22166	1.2
250.88486	1.2
275.20142	19.6
276.20517	1.6
290.50296	0.9
293.08893	1.5
293.17764	4.6
293.21204	100.0
294.21552	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90598	0.8
58.92912	0.7
59.01253	3.6
65.69035	0.7
71.06656	2.0
87.81792	0.8
90.64147	0.7
94.22161	0.8
97.93506	0.9
121.10113	45.0
122.10434	1.2
125.09641	1.9
141.12848	1.0
171.10181	74.3
172.10547	2.7
177.16405	1.1
183.10252	0.9
183.13797	3.6
185.11789	2.1
197.11748	1.2
211.13344	0.9
231.21109	4.7
235.16928	1.2
241.66263	0.8
275.20135	100.0
276.20447	8.4
293.21201	71.8
293.26041	1.1
294.21515	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01224	1.5
60.54299	1.2
65.10221	1.0
65.41321	1.1
66.23126	1.1
70.26943	4.9
76.68050	1.2
152.15359	1.1
171.10213	1.6
171.90935	1.2
195.13858	14.5
196.14378	1.8
223.13339	12.2
228.13591	2.3
256.13226	6.1
275.20175	11.7
293.21222	100.0
294.21558	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	5.1
59.01237	2.7
71.01233	1.4
92.13355	0.7
97.06462	0.9
98.20543	2.4
101.72575	0.9
113.09608	14.4
121.10138	10.9
125.09585	1.4
139.11150	1.6
155.10712	0.8
164.72516	0.7
167.10657	2.3
171.10187	21.6
172.10471	0.9
179.10689	2.2
183.10141	1.2
185.11725	1.3
195.13838	1.9
213.33856	0.8
215.42101	0.9
231.21155	2.2
236.10423	1.3
249.22218	1.8
275.20151	28.6
276.20364	1.7
293.21216	100.0
294.21484	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89150	0.4
56.19493	0.5
57.03305	1.7
71.07289	1.3
75.36388	0.4
81.99162	0.5
94.64601	0.4
97.06483	0.8
121.10078	0.7
123.08002	1.2
125.09596	4.5
141.12680	1.1
149.09583	1.3
185.11743	9.6
197.11708	2.1
249.22244	0.8
275.20053	0.9
275.61597	0.5
293.21204	100.0
294.21512	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	293.2123
Annotation	13-HOTrE(gamma)
Peak:m/z	Relative Intensity
59.01245	4.1
70.44785	1.3
70.45143	1.7
71.01237	2.1
75.91463	0.6
96.95888	16.5
99.08031	52.6
100.08338	1.4
117.57902	0.7
121.10160	0.9
149.13220	2.1
193.12257	29.2
194.12759	1.3
211.13245	1.9
220.14648	3.0
221.15402	4.9
236.10498	3.9
265.21695	3.6
275.20065	2.3
293.08868	1.7
293.17920	11.4
293.21167	100.0
294.21567	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1759
Annotation	7-O-demethyl-albocycline
Peak:m/z	Relative Intensity
57.03296	0.6
59.01247	4.5
61.98724	1.3
65.38831	0.6
66.24091	0.5
68.02408	5.5
69.03310	0.5
71.01248	4.2
71.57951	0.7
71.58298	0.7
78.95776	0.9
83.01272	0.7
85.02808	0.8
89.02307	1.8
99.00735	4.5
101.02307	0.8
121.02847	0.8
127.07668	0.7
131.03404	0.9
136.08832	51.6
137.09222	1.6
152.91650	2.3
159.01421	0.5
161.04468	1.5
166.90988	5.6
171.83612	0.5
177.09169	4.0
183.13831	7.2
191.10654	0.6
192.11476	34.7
193.12288	2.6
193.15901	100.0
194.16263	4.9
194.92723	1.3
205.12206	1.1
207.13785	0.6
210.89903	3.8
210.92897	0.8
211.13362	3.1
220.14619	6.1
221.15422	9.8
236.10495	9.2
247.17052	0.8
249.18562	32.3
250.18887	2.2
270.62772	0.6
275.20230	3.2
293.08929	3.3
293.17587	41.9
293.21204	28.7
294.17938	2.8
294.21512	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	293.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.3
65.32649	0.2
67.24861	0.2
68.02393	0.3
70.88959	0.4
71.01251	8.1
84.10297	0.2
108.17532	0.2
113.09918	0.2
127.07497	0.7
141.42781	0.2
146.61856	0.3
148.05203	1.3
151.07608	0.3
152.91615	0.3
164.08284	1.4
166.91002	0.3
167.07161	0.2
168.48404	0.2
177.09125	5.6
190.09920	0.4
192.11470	6.6
193.11905	0.5
205.12268	8.5
206.12675	0.4
207.13800	1.5
217.08621	0.5
218.09428	2.0
220.14627	51.0
221.15404	100.0
222.15718	5.9
235.13376	1.0
236.10492	71.2
237.10890	4.3
275.20105	0.3
293.17609	7.6
293.21017	0.5
294.17816	0.6
296.59872	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19640	1.3
58.00462	1.6
59.01249	39.2
68.02399	3.0
69.44424	9.2
71.01254	25.8
72.99194	2.1
73.02811	2.4
83.01244	4.0
85.02830	5.2
85.06467	18.4
86.49466	1.3
87.00748	1.7
89.02312	24.7
95.01250	2.6
99.92773	1.3
101.02328	13.7
113.02339	6.3
113.05958	6.2
115.07573	1.8
119.03393	7.6
127.07572	2.8
131.03363	1.4
131.07037	72.2
132.07414	1.9
159.82890	1.3
161.04454	2.8
162.53201	1.1
173.08086	2.1
209.81679	1.2
293.12411	100.0
293.14810	3.7
294.12726	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	293.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68598	0.7
59.01251	15.8
60.05109	0.6
61.98684	1.3
68.02399	2.8
69.03334	0.8
70.42493	1.2
70.42889	1.1
71.01253	2.5
78.95752	0.7
85.02802	0.8
89.02328	2.0
95.39292	0.6
96.95896	1.0
101.02303	1.1
118.07098	0.6
152.91711	1.2
161.04488	0.7
165.12749	1.8
166.90977	4.0
183.13824	9.2
192.48993	0.6
193.12253	2.4
194.92683	2.1
196.39954	0.6
205.12088	0.7
210.89938	2.3
211.13329	100.0
212.13710	6.2
220.14671	0.7
232.87401	1.0
233.11543	13.4
234.11879	1.0
236.10507	1.3
244.83542	0.7
249.14888	6.5
250.88382	1.5
261.72040	0.7
293.08734	2.0
293.13934	5.3
293.17499	1.3
293.21231	1.9
301.08551	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81460	0.3
55.01765	0.4
57.03331	0.5
58.00473	1.0
59.01249	25.0
62.17894	0.3
70.32841	0.8
71.01254	16.9
72.99184	1.4
73.02818	0.9
83.01256	1.7
85.02821	3.4
85.05993	0.2
85.06461	10.6
87.00749	1.2
89.02317	18.1
95.01270	1.0
98.20446	0.4
99.00779	0.6
101.02322	13.4
102.02609	0.4
108.25385	0.4
113.02331	6.6
113.05980	3.1
115.07522	1.9
119.03386	7.1
127.07549	1.2
129.05473	0.5
131.07031	58.2
132.07404	1.7
138.21815	0.3
143.03395	0.7
143.87294	0.3
149.04498	0.6
161.04442	0.5
173.08099	1.7
175.02373	0.4
179.05553	1.1
232.99150	0.4
253.15691	0.3
275.65546	0.4
283.38684	0.3
293.12415	100.0
294.12772	5.7
314.44379	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02231	6.0
59.01240	13.1
61.12959	6.1
66.01581	5.6
68.02368	8.3
69.43658	53.7
71.01244	45.2
71.02373	6.1
72.00775	77.1
73.02811	29.7
82.02862	39.5
85.02816	5.8
89.02324	6.9
96.02483	5.3
97.03954	12.0
98.02339	30.4
98.19787	11.4
99.00776	29.9
99.05479	6.8
100.03906	8.6
112.04041	5.9
115.05008	25.7
116.03392	13.3
117.73934	6.1
126.05406	6.1
127.05026	17.4
128.03397	17.3
142.04996	11.0
143.04530	72.5
144.02907	100.0
154.04965	9.8
161.05629	37.7
171.03998	28.9
189.05066	14.0
226.05518	6.1
261.97516	6.5
293.09625	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	293.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	8.6
68.02437	6.1
69.03325	12.8
70.02856	16.8
70.06358	28.4
71.01252	14.8
72.00775	25.6
73.02786	7.5
73.99242	5.6
82.02861	13.4
84.04442	9.7
86.02351	11.4
88.25683	6.0
89.02281	6.0
96.04417	7.7
97.03945	6.6
98.02351	20.3
99.00753	20.9
100.03927	16.0
106.67003	6.7
112.03915	5.9
113.02320	11.4
115.05029	28.1
122.06010	6.6
128.03442	9.0
131.03386	19.2
143.04529	56.2
144.02933	100.0
161.05566	19.7
174.68491	5.6
176.54469	5.5
215.06566	11.5
232.80669	5.9
233.07741	10.1
238.25818	6.4
265.93713	5.9
293.09888	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.086
Annotation	Triadimefon
Peak:m/z	Relative Intensity
50.20195	0.7
56.80993	0.7
59.01249	4.8
68.02408	100.0
69.02776	0.8
69.72739	4.0
71.01239	1.6
74.76450	0.8
75.43830	0.7
79.95614	1.8
84.01617	0.7
89.02332	0.8
98.20552	0.7
109.01058	0.8
117.55598	0.8
126.99458	2.1
152.08209	1.2
152.91708	2.3
154.55737	0.8
166.90997	4.0
194.92673	1.3
210.89888	3.7
212.93877	0.8
220.14645	2.6
221.15390	5.8
236.10376	4.0
292.19888	1.7
293.14822	0.9
293.17883	4.3
293.21304	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	292.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42723	0.6
56.43987	0.5
58.02838	1.1
59.01245	4.5
61.98687	0.5
68.02411	11.6
69.54299	1.1
69.54704	3.9
71.01251	2.0
74.80926	0.5
78.95779	0.6
79.95607	1.0
85.02808	0.6
89.02298	1.0
103.91952	1.1
109.07931	0.6
124.04007	0.6
124.63281	0.5
131.03413	0.5
152.91667	1.8
156.13840	100.0
157.14191	4.0
161.04532	0.7
166.90993	4.1
177.09105	0.8
187.27231	0.6
194.92697	1.5
200.12836	6.4
205.12276	1.2
210.89838	3.6
218.09512	0.7
220.14609	5.4
221.15401	11.6
236.10500	8.9
250.88495	0.6
292.19943	5.7
293.08731	1.0
293.17700	1.8
293.21048	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1919
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.50005	0.6
58.02847	1.0
59.01249	5.5
61.43777	0.6
68.02406	11.6
69.03938	0.6
71.01254	2.3
71.58118	0.9
78.95786	1.1
81.05228	0.6
85.02783	0.6
96.04415	0.7
103.91888	0.9
108.04445	0.8
115.06702	0.6
118.96244	0.7
120.36655	0.6
131.03445	0.7
152.91676	1.6
156.13846	100.0
157.14189	4.2
166.90959	5.2
192.11536	0.8
194.23579	0.6
194.92751	1.2
200.12869	6.4
205.12263	1.4
207.96547	0.7
210.89825	4.3
212.93791	1.0
220.14636	5.3
221.15399	8.1
236.10509	5.9
292.19962	5.5
293.08768	2.3
293.17743	2.8
293.21219	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72449	0.4
57.03304	1.5
59.01246	6.0
60.30032	0.4
61.19340	0.5
66.03355	1.3
68.02409	6.0
69.37033	3.7
69.37438	1.0
71.04877	0.9
74.39536	0.5
80.02560	0.5
83.01293	0.6
83.04867	1.2
85.02821	0.5
89.76327	0.4
94.91643	0.5
95.04882	1.0
97.06462	1.6
104.32213	0.5
107.08546	0.5
109.06483	0.7
111.07278	0.7
111.08041	11.0
111.73483	0.4
113.09593	0.6
113.22567	0.5
119.04860	0.6
121.02830	3.7
121.10110	5.4
123.08018	0.9
125.09593	2.4
125.71427	0.4
132.29887	0.5
133.43687	0.6
137.09604	1.0
141.86542	0.4
142.03716	0.4
146.08534	0.4
147.07948	0.5
149.05937	0.8
153.39415	0.4
164.93939	0.6
167.10670	1.8
177.12752	1.2
179.10683	1.4
185.11729	4.1
195.13823	6.2
197.11722	1.1
207.67773	0.5
207.96678	0.5
208.93097	1.0
209.04478	1.3
209.11752	1.0
223.13429	0.7
247.20602	2.6
263.20139	1.9
268.79822	0.5
273.18701	2.5
291.09030	3.0
291.19644	100.0
292.19968	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65069	0.9
54.68018	1.0
57.03321	2.9
57.86911	1.0
59.01202	0.9
69.53944	3.6
69.54374	3.8
76.76982	0.8
93.06988	2.1
95.91436	0.9
97.06454	1.7
121.10118	16.5
125.09615	8.3
145.05977	1.0
185.11740	17.8
197.11774	3.6
209.43864	1.1
211.13280	2.6
223.13463	1.2
224.59262	1.0
247.20683	2.3
273.18652	2.5
291.19650	100.0
292.19943	8.8
300.73822	0.9
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	Etherolenic acid
Peak:m/z	Relative Intensity
59.01255	2.8
59.80392	1.7
61.45671	1.7
68.02404	2.5
71.01245	3.0
71.07545	5.0
88.49484	1.8
91.17348	1.6
97.06468	100.0
98.06813	3.1
115.48439	1.7
121.02802	1.9
126.26784	1.7
149.13326	1.9
149.68039	1.8
171.10159	6.4
173.11301	1.8
183.13857	4.9
193.12227	24.8
194.12918	2.8
211.13335	58.7
212.13728	4.6
263.20193	2.6
273.18634	4.2
291.19656	72.7
292.20032	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	291.1966
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
56.00613	0.2
59.01240	0.7
66.03356	0.4
68.02397	1.4
69.97452	0.2
70.46165	0.5
73.02814	56.6
74.03167	0.8
79.95623	0.2
83.13833	0.3
93.98839	0.2
106.12464	0.2
120.81712	0.2
121.02824	0.7
127.31020	0.2
147.50087	0.3
158.70551	0.3
159.71370	0.3
209.04532	0.5
291.19647	100.0
292.19992	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	291.1966
Annotation	12-OPDA
Peak:m/z	Relative Intensity
58.23881	0.2
59.01242	0.7
68.02400	0.9
68.82101	0.3
69.11860	0.3
71.45209	0.4
83.04908	0.3
95.04922	0.3
97.06505	0.4
107.57527	0.2
119.04918	0.3
121.02837	0.4
148.08853	1.7
149.09508	0.2
150.10416	1.1
151.11171	0.5
163.11189	1.0
164.93828	0.2
165.12756	22.1
166.13089	0.9
166.82458	0.2
175.11166	0.6
176.11897	0.6
177.12766	0.5
179.14320	0.5
191.14337	0.7
193.12247	0.5
209.04497	0.4
247.20622	11.1
248.20981	1.1
264.98984	0.3
273.18585	5.4
274.18961	0.8
291.19641	100.0
292.19989	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	291.1966
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.01745	0.9
57.03312	0.5
59.01245	4.3
68.02407	3.7
69.49833	0.4
71.01259	0.4
71.04890	34.5
74.95031	0.4
83.04900	0.7
97.06462	9.7
98.20567	1.0
116.24724	0.4
121.02803	1.8
121.10159	0.5
133.06564	0.7
133.07559	0.4
137.09567	0.4
144.58714	0.4
149.04846	0.4
153.96361	0.4
157.12280	0.8
163.11208	0.4
163.14786	1.2
173.15532	0.4
175.14795	0.6
181.12280	2.3
182.43428	0.4
185.49770	0.4
193.12247	0.8
195.13966	0.6
205.12289	0.6
207.13860	3.8
209.04471	1.2
217.15881	1.1
219.13834	4.6
229.61264	0.5
235.16974	5.1
247.16907	0.9
247.20657	3.2
273.18680	1.9
279.71432	0.4
289.18405	0.4
291.19647	100.0
292.19962	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	289.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.5
56.20378	0.2
57.03319	1.4
58.00468	0.7
59.01248	14.7
59.21330	0.3
69.70630	1.7
71.01253	13.0
72.99182	1.2
73.02824	0.9
83.01260	0.7
84.02022	0.3
85.02811	2.3
85.99968	0.7
87.00739	0.5
89.02315	12.5
101.02314	1.2
111.08039	26.3
112.08377	0.8
113.02328	1.3
131.03442	1.2
139.07552	4.2
141.09120	0.6
146.84702	0.3
149.04468	1.0
153.09145	0.5
155.07056	0.5
157.08603	100.0
158.03677	0.4
158.08926	3.0
161.03471	11.4
198.66095	0.3
199.09683	0.7
289.12918	51.6
290.13269	3.0
291.02975	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1807
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
59.01231	1.4
59.10326	0.7
64.96004	0.6
66.84211	0.7
68.29663	0.7
75.28983	0.7
76.76223	0.6
87.32220	0.7
128.08641	0.6
128.78618	0.6
160.95895	0.7
193.63947	0.7
229.15973	3.9
257.15466	7.9
258.15948	0.8
289.18082	100.0
290.18405	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	291.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.0
67.01656	0.5
68.02399	2.6
71.01220	0.5
71.06790	1.3
73.03982	0.5
83.27642	0.5
85.02827	1.9
93.03300	0.7
96.95869	0.8
97.81669	0.5
117.03350	2.1
119.04916	100.0
120.05246	3.0
130.02884	0.5
145.02859	6.2
163.03917	76.6
164.04214	3.2
273.07739	0.6
291.08713	8.3
291.11795	0.8
292.15396	0.8
297.96860	0.5
301.38251	0.5
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
57.03323	5.6
57.96131	0.7
58.84340	0.7
62.14492	0.7
69.03335	1.5
69.53141	5.7
80.02534	1.0
81.03326	5.0
83.01259	5.6
93.03328	2.8
95.01256	1.3
95.04896	7.9
97.02834	13.8
108.02045	2.0
109.02831	54.5
110.03185	1.0
111.04396	0.9
113.05989	1.1
118.75390	0.8
121.02847	6.1
122.03620	3.2
123.04406	35.7
124.04775	1.2
125.02329	30.7
131.04907	1.3
133.02792	1.1
135.04439	4.3
137.02344	16.9
138.03101	2.5
139.03897	6.0
145.02827	2.9
146.03635	2.6
149.02325	7.4
149.05862	0.9
150.03091	2.1
151.03905	17.0
155.92628	0.8
157.06454	0.8
159.04407	6.4
160.05186	2.8
161.02336	1.7
161.05998	9.9
162.03127	2.6
163.03899	2.9
164.01039	5.5
165.01822	7.6
166.02483	0.8
167.03384	3.4
173.05919	1.0
174.03250	1.0
175.03900	4.7
175.07556	3.3
177.05460	1.0
179.03412	12.2
183.04428	0.9
185.06017	2.1
187.03886	9.4
188.04662	6.4
199.07619	1.6
201.05476	1.8
202.06299	3.7
203.07056	22.2
204.07324	1.1
205.05006	12.1
217.08632	1.1
221.08147	8.2
227.07069	3.2
230.05801	1.3
231.02965	1.1
245.08150	34.1
246.08354	1.6
247.06032	1.6
271.06131	1.8
275.01776	0.8
289.07166	100.0
290.07547	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	287.2227
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
59.01250	1.7
70.50241	0.5
70.50627	0.5
83.04878	0.3
97.71657	0.2
99.54900	0.2
111.08043	0.7
113.09604	3.3
116.98935	0.2
125.02306	0.4
127.11192	2.7
151.71135	0.2
155.10710	0.7
157.12241	0.9
239.20087	1.3
241.21666	2.5
241.79782	0.2
251.20076	0.3
269.21216	1.8
285.20633	1.6
287.22263	100.0
288.22620	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	288.1604
Annotation	Mesembrine
Peak:m/z	Relative Intensity
53.05096	0.3
59.01251	4.3
70.15904	0.8
70.16302	0.6
74.15984	0.3
81.03315	1.5
92.04949	1.4
93.03344	2.3
107.03661	0.7
108.02024	0.6
108.04430	5.9
109.02840	5.9
118.81504	0.3
119.08535	0.3
121.02892	0.4
124.01565	0.4
132.37750	0.4
134.02373	37.5
135.03175	8.9
136.03940	41.6
137.02362	2.0
137.04300	0.9
140.97505	0.4
148.03964	0.9
149.04727	1.4
152.01038	0.5
176.03441	5.2
177.04247	0.5
181.03752	0.6
190.05045	0.5
204.06607	0.4
266.84045	0.3
288.16046	100.0
289.16281	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	287.0924
Annotation	IRIFLOPHENONE TRIMETHYL ETHER
Peak:m/z	Relative Intensity
51.96235	0.2
59.01241	0.8
69.57132	0.6
69.57549	0.7
70.36130	0.1
124.45490	0.2
125.02332	0.2
126.61211	0.2
141.61777	0.2
161.02319	0.7
171.04460	0.3
172.05220	0.4
173.05965	0.8
175.03879	0.8
180.05663	0.3
185.06009	1.0
186.06746	0.7
187.03925	0.5
188.04831	0.3
189.05440	1.3
196.05275	0.3
197.05980	1.8
198.06754	0.8
199.03951	0.7
199.07570	3.9
200.08365	1.4
201.08481	0.2
203.03383	0.3
203.07094	1.9
211.07462	0.3
212.04674	0.9
213.05479	0.8
213.14830	0.8
215.03418	0.8
218.05762	0.2
227.03488	2.7
227.07036	3.7
228.07788	0.8
229.04953	1.4
230.05701	0.8
231.06569	0.7
232.07306	0.6
237.05518	0.5
240.04239	8.1
241.04982	4.4
242.05492	0.4
243.02988	1.3
243.06500	0.6
243.10310	0.2
255.06586	15.6
256.06961	1.3
257.04681	1.0
257.08121	1.4
258.05331	2.8
259.05939	0.5
259.09763	0.6
262.04779	0.5
262.58490	0.2
272.03116	0.3
272.06863	0.6
287.09238	100.0
287.22180	0.8
288.09586	7.7
304.05951	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19699	0.3
57.03320	0.4
59.01238	2.3
63.27281	0.3
63.74604	0.3
69.03328	0.4
71.01247	0.7
71.58645	0.4
78.95806	0.4
83.04900	0.6
93.03307	0.7
96.95940	0.4
123.04427	1.0
134.03658	0.4
140.00331	0.4
152.91652	0.7
167.14404	0.5
173.04498	0.4
183.13834	6.9
184.14078	0.4
193.12303	2.1
202.98752	0.6
203.02333	0.4
211.13326	100.0
212.13695	5.8
220.47865	0.4
245.74132	0.4
285.04047	3.2
285.06937	0.7
285.17099	1.0
285.20642	1.5
285.27097	1.3
286.04425	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2387
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.00023	0.3
59.01231	1.0
61.98690	0.4
70.02844	1.2
70.45065	0.6
70.45432	0.9
74.05981	1.8
78.95767	0.3
88.32774	0.3
91.96083	0.3
107.38629	0.3
117.06979	0.7
118.04976	0.8
165.40849	0.3
195.68971	0.3
202.54726	0.3
240.23260	2.8
242.21204	1.7
256.22754	0.5
268.22797	0.8
284.22375	0.5
286.04605	0.6
286.23859	100.0
287.16525	0.5
287.21274	0.4
287.24240	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0769
Annotation	3'-Deoxysappanone B
Peak:m/z	Relative Intensity
53.54951	0.2
59.01246	0.5
65.00183	1.5
68.79617	0.2
68.99676	0.3
69.51106	1.5
69.51521	0.5
71.01236	0.4
72.99153	0.3
73.16253	0.2
80.02557	1.2
82.06364	0.2
85.02833	0.5
89.00228	0.3
91.01765	0.3
93.03355	0.3
95.01258	0.4
97.02818	0.7
98.19823	0.5
106.56230	0.2
107.01270	3.1
108.02051	8.2
109.02373	0.3
109.99947	0.5
119.04912	2.2
121.02857	0.4
123.00790	0.9
124.01524	0.3
136.01559	12.2
139.89915	0.2
149.99516	0.4
151.00279	0.4
164.01060	21.2
164.52133	0.2
165.01814	2.4
171.10226	0.3
177.01894	0.6
179.03418	100.0
180.03766	3.5
183.01244	0.3
183.13873	0.3
187.03986	0.3
196.00069	18.2
197.00465	0.6
197.11806	0.5
211.13342	2.4
222.96436	0.2
269.04465	0.6
279.62534	0.3
284.26749	1.1
285.04044	1.2
285.07693	2.0
285.13397	0.7
285.17102	0.7
285.20322	0.3
285.27142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38188	0.3
59.01242	1.4
63.69625	0.4
66.40073	0.3
69.03311	0.5
70.33683	1.2
90.17787	0.3
109.02832	0.3
121.62263	0.3
123.04391	0.8
124.31291	0.3
152.91612	0.3
165.12727	0.6
167.14301	0.8
179.03514	0.4
183.13838	7.5
184.14142	0.7
193.12225	2.5
196.67386	0.3
202.98672	0.3
211.13329	100.0
212.13690	6.0
285.04013	2.6
285.17059	1.1
285.20682	1.0
285.27100	0.9
302.73193	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94456	0.7
59.01257	4.3
71.57755	0.7
71.94296	0.6
73.75986	0.6
78.95768	10.7
91.01768	25.0
92.02063	0.7
95.01246	2.5
96.95885	0.6
108.02052	7.4
121.02837	0.8
123.04376	2.3
133.02840	1.0
134.03622	68.1
135.00766	18.2
135.01575	0.4
135.04225	2.2
145.02786	0.7
148.00461	1.2
148.01563	16.5
149.02345	1.6
149.05978	27.3
149.07182	1.4
149.31284	0.7
152.91589	1.2
153.01836	38.2
154.02107	1.2
161.02313	1.5
180.00554	22.4
186.85515	0.9
196.04921	0.8
197.06030	3.4
199.03842	0.8
201.01898	0.8
202.98659	1.8
203.02209	1.1
209.06039	1.1
211.13278	2.4
215.03429	0.7
217.00262	0.8
225.05498	3.6
226.06323	1.6
227.03500	1.1
241.05008	1.0
243.06532	1.3
253.05127	3.3
256.06018	1.1
269.04471	6.5
270.05304	15.1
271.06052	7.7
271.08585	1.2
284.26733	6.1
285.04163	8.8
285.07648	100.0
285.20569	1.9
285.27063	1.5
286.07959	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	285.0769
Annotation	3'-Deoxysappanone B
Peak:m/z	Relative Intensity
53.64415	0.4
59.01242	1.8
62.23900	0.4
65.00191	1.2
66.72323	0.4
66.83794	0.4
69.42461	2.3
69.42865	0.9
80.02553	0.9
88.03912	12.7
89.03757	0.5
89.04235	2.8
89.63151	0.4
93.03325	0.7
97.02816	0.8
98.20525	0.8
101.05959	0.6
107.01270	4.0
107.04897	0.7
108.02055	8.8
108.02787	0.4
109.99986	0.5
111.08035	0.4
119.04920	2.0
121.02887	0.7
123.00804	0.9
123.04432	0.7
124.01590	0.5
136.01556	10.8
137.09576	0.4
144.19339	0.3
151.03976	0.8
164.01059	19.5
165.01797	2.4
179.03412	100.0
180.03728	3.8
183.13828	1.6
193.12337	0.5
196.00053	16.2
197.00433	0.7
201.11256	0.7
211.13332	19.2
212.13754	0.6
269.04572	0.8
276.91229	0.4
284.18680	0.7
284.26648	2.7
285.04041	3.9
285.07654	4.2
285.18918	4.5
285.27048	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0613
Annotation	GENISTEIN, 8-METHYL
Peak:m/z	Relative Intensity
59.01245	5.5
63.02279	0.2
64.32967	0.2
65.00211	0.5
71.01259	0.9
71.58236	0.3
79.01751	0.3
83.01251	0.4
85.02815	0.3
89.02316	0.8
95.01249	0.2
101.02328	0.9
107.01299	0.7
113.02284	0.5
115.14192	0.2
117.03361	0.4
119.03410	0.4
121.02823	0.3
121.04955	0.4
128.25984	0.2
132.02094	0.4
135.00778	0.3
151.00267	1.6
157.03712	0.2
161.04520	0.3
167.04993	0.5
168.05666	0.3
171.04433	0.3
183.04480	0.5
184.05179	0.6
195.04437	1.2
196.05215	5.1
197.05652	0.3
198.03047	0.3
200.94391	0.4
201.02472	2.9
207.13824	0.3
211.03938	15.0
212.04637	3.2
222.03204	0.7
223.04056	0.4
233.11789	0.3
239.03448	63.5
240.03990	7.4
241.04784	0.3
251.12894	1.1
267.03030	0.4
268.03738	100.0
269.04105	7.9
283.06100	90.3
283.19730	1.2
283.26398	29.0
284.06427	7.0
284.26712	0.9
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
59.01259	2.7
63.22932	0.4
65.00205	0.7
82.06465	0.4
83.01285	0.5
89.02326	0.5
96.14773	0.4
97.02841	0.5
98.19739	0.7
107.65236	0.5
108.79903	0.4
117.03316	0.8
149.99480	0.8
151.00247	1.2
165.01793	1.0
171.04436	0.4
183.04335	0.5
195.04453	1.0
196.05208	4.3
201.02530	1.0
202.56921	0.4
211.03941	14.0
212.04593	2.9
222.03192	0.7
239.03448	58.3
240.04007	6.1
267.02930	0.6
268.03738	100.0
269.04105	7.6
283.06094	87.0
283.26404	19.4
284.06384	7.9
284.26740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94839	0.4
59.01253	3.1
63.02267	5.6
65.00189	4.9
70.54867	1.3
78.95770	3.6
81.03316	5.3
85.13439	0.4
91.01768	2.2
93.03320	2.8
95.04918	0.7
96.95918	0.5
105.03340	17.1
106.03657	0.4
107.01268	14.6
108.02052	1.8
121.02837	7.6
123.04423	1.8
128.03452	0.5
134.03586	0.6
148.01569	1.8
149.02344	63.8
150.02666	1.7
151.00346	0.5
156.38083	0.4
161.02357	2.3
163.00247	2.3
163.03922	0.6
167.03407	2.8
169.06509	0.7
172.05241	0.6
181.06425	0.5
183.04535	1.0
184.05316	0.5
185.05917	0.8
187.03931	0.7
194.02144	0.7
197.05995	2.0
197.07822	0.4
198.06805	1.1
199.03961	3.6
200.04709	5.2
201.05261	0.7
202.98694	1.8
203.02234	0.9
211.13322	1.4
213.05516	3.6
214.06288	1.7
215.07051	5.4
224.04704	0.9
225.05530	5.7
226.06291	3.7
241.05000	12.7
241.08594	4.1
242.05774	4.8
245.30891	0.5
253.05048	2.1
254.05743	1.4
257.08160	8.6
258.08493	0.9
267.16217	0.5
269.04492	5.3
270.05331	6.2
284.26816	4.0
285.04175	4.9
285.07654	100.0
285.20575	3.2
285.27097	1.7
286.04700	0.8
286.07983	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	281.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	4.6
57.03308	6.4
59.01250	87.5
71.01252	100.0
71.56635	3.8
71.57062	4.8
72.74688	4.3
72.99178	8.5
73.02802	28.5
81.79720	3.9
83.01256	9.0
85.02814	45.2
87.00741	7.5
89.02313	45.2
95.01239	7.4
99.00745	8.9
101.02316	80.3
113.02327	34.0
119.03374	17.1
119.07038	11.3
131.03363	6.1
143.03381	7.3
149.02747	6.1
149.04425	6.9
150.04112	6.2
159.02890	12.0
161.04466	34.9
193.59305	4.3
231.92758	5.1
232.52106	4.1
245.95714	4.2
281.09125	5.4
281.12369	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	30.7
69.64972	0.6
71.00871	0.8
71.01251	5.7
71.26523	1.7
73.02818	1.2
83.01250	0.9
85.02818	1.5
89.02316	1.4
94.02945	0.6
101.02299	4.3
113.02338	2.0
119.03331	0.7
136.77290	0.8
161.04462	2.5
171.03226	0.8
183.17491	0.8
199.16965	100.0
200.17290	4.7
281.12335	1.6
281.17334	16.1
281.20895	1.0
281.21652	1.0
281.24683	4.8
282.08545	0.7
282.17639	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2326
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01257	0.8
60.34864	0.6
70.59929	2.0
75.97685	0.5
77.70702	0.6
99.29967	0.6
266.45987	0.6
279.23273	100.0
280.23654	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	281.103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	4.7
57.03325	7.3
58.00458	1.5
59.01250	16.0
61.31540	0.5
67.01737	0.7
67.13101	0.4
68.32655	0.5
68.99706	0.6
69.03298	1.2
71.01252	100.0
71.57644	0.8
72.01574	1.4
72.99181	3.2
73.02818	20.9
74.96233	0.6
79.91908	0.5
83.01254	9.7
84.02049	1.2
85.02822	59.2
86.03165	0.9
87.00761	2.5
88.58717	0.5
89.02312	6.5
89.51716	0.4
92.28553	0.5
93.03337	0.7
95.01261	15.0
95.93315	0.5
97.02822	0.8
99.00763	7.2
101.02321	16.8
111.00765	1.2
113.02328	71.2
114.02660	1.7
119.04915	60.5
120.05251	1.9
125.02299	0.8
131.03400	0.5
135.04358	0.5
137.05968	4.9
139.00270	1.3
143.03357	0.8
161.04478	5.6
176.42239	0.6
221.08119	0.7
243.98969	0.5
281.10297	11.9
282.10529	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	4.6
57.03308	6.4
59.01250	87.5
71.01252	100.0
71.56635	3.8
71.57062	4.8
72.74688	4.3
72.99178	8.5
73.02802	28.5
81.79720	3.9
83.01256	9.0
85.02814	45.2
87.00741	7.5
89.02313	45.2
95.01239	7.4
99.00745	8.9
101.02316	80.3
113.02327	34.0
119.03374	17.1
119.07038	11.3
131.03363	6.1
143.03381	7.3
149.02747	6.1
149.04425	6.9
150.04112	6.2
159.02890	12.0
161.04466	34.9
193.59305	4.3
231.92758	5.1
232.52106	4.1
245.95714	4.2
281.09125	5.4
281.12369	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	9.3
60.32772	4.2
61.82486	3.3
66.13873	3.4
71.01244	8.2
71.02364	14.1
71.04900	46.7
71.06091	8.2
72.00793	23.4
73.02824	7.4
82.02841	18.4
97.03949	9.6
98.02350	26.7
99.00755	12.7
99.05519	7.7
100.03909	12.7
101.02313	5.1
101.42139	3.6
112.16195	4.4
113.02366	4.3
113.20724	4.2
115.05021	37.6
116.03387	3.8
116.07089	5.5
117.05467	71.1
123.97861	3.5
143.04530	58.9
144.02916	100.0
149.37779	3.7
161.04405	5.2
161.05585	46.7
189.05211	4.3
224.92239	3.5
224.94803	4.1
245.11345	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1449
Annotation	Hexane-1,5-diol 1-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01752	8.6
57.03317	7.0
58.00443	3.4
59.01247	53.7
60.01554	2.0
62.23930	2.2
63.42437	1.9
71.01252	96.8
71.57590	3.4
72.99174	2.2
73.02817	37.4
75.00735	2.6
83.01251	14.0
85.02821	48.8
87.00744	6.3
89.02305	15.6
95.01276	8.2
99.00772	17.0
101.02322	100.0
102.02674	2.6
113.02323	45.1
115.07525	2.2
117.05561	2.3
119.03368	5.0
125.02332	2.7
128.31366	2.2
129.01868	3.1
143.03401	4.5
158.03166	2.0
159.02921	9.6
161.04459	43.9
161.05753	2.3
169.53159	2.1
175.26767	3.0
179.58282	2.3
182.01955	2.1
203.02576	2.8
205.03377	3.2
249.69604	2.5
264.72101	2.4
275.87170	2.1
279.14490	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	279.1966
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
59.01254	18.8
61.98691	4.0
69.49357	5.8
69.49770	22.5
71.01247	9.5
86.24852	3.4
98.19803	7.4
101.02323	6.1
107.08547	35.9
121.02880	3.9
122.02396	3.2
135.48087	3.2
148.67357	3.5
163.14766	3.6
171.10182	80.8
211.50722	3.1
215.67775	3.8
217.19611	7.8
217.24193	3.1
219.02951	5.5
235.16830	7.9
261.18579	100.0
262.19034	3.7
279.19632	60.0
279.23206	20.0
280.20023	3.9
295.07394	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	279.2324
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01250	1.1
71.01257	0.5
71.58132	0.2
83.01228	0.1
96.95884	2.0
101.02340	0.2
113.02297	0.2
119.03429	0.2
124.42768	0.1
136.43423	0.1
140.03433	0.2
140.80794	0.1
222.16441	0.1
261.22241	0.4
279.23273	100.0
280.23624	8.6
286.04388	0.2
289.55725	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75753	0.4
59.01242	1.5
64.36058	0.3
69.29649	0.5
69.30057	2.8
71.01256	1.0
75.12853	0.3
80.27780	0.3
89.02330	0.4
96.95875	0.6
101.02306	0.4
105.30797	0.3
109.50330	0.3
113.02307	0.4
136.44978	0.3
168.44150	0.4
197.15498	0.4
279.23285	100.0
280.23642	7.6
296.17175	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1083
Annotation	Hymenoside M
Peak:m/z	Relative Intensity
59.01251	72.4
70.52361	2.1
71.01254	43.0
71.04881	6.8
71.27813	2.8
71.28133	2.5
72.99180	4.4
73.02833	3.0
81.34842	1.8
83.01244	3.1
85.02805	10.2
87.00766	2.0
89.02312	48.9
95.01241	2.8
99.04398	26.6
99.92473	3.3
101.02323	30.5
113.02325	16.9
115.25517	2.2
115.91949	4.2
117.05457	40.5
119.03394	15.3
130.27368	2.2
131.03368	2.3
147.06570	12.6
149.04474	3.7
168.54810	2.1
203.74452	1.6
279.10834	100.0
279.23087	2.0
280.11163	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	279.1084
Annotation	Hymenoside M
Peak:m/z	Relative Intensity
59.01247	100.0
64.65331	2.5
70.11726	2.6
71.01250	60.0
71.05019	5.3
72.99167	6.4
77.15078	2.5
85.02823	10.9
89.02310	70.4
93.85077	2.7
95.01247	4.7
99.04420	3.7
101.02320	41.1
113.02340	20.0
116.41557	2.5
117.05454	6.2
119.03370	33.8
147.06567	3.0
152.37071	2.3
179.05528	4.7
279.10843	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	277.2169
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01248	2.6
63.81444	0.1
69.32269	0.4
69.32693	0.5
71.01235	0.6
74.73330	0.1
83.04895	0.1
97.06476	0.2
99.04397	0.2
99.31496	0.1
104.85635	0.1
113.05968	0.1
121.02825	0.1
127.07558	0.4
152.91608	0.1
166.41652	0.1
194.92729	0.2
194.95439	0.1
205.15913	0.2
205.19492	0.1
233.18950	0.3
233.22708	0.4
259.20618	0.4
275.20157	0.4
277.21698	100.0
278.22040	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	277.2169
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01243	0.9
77.39613	0.4
83.04894	0.5
98.19795	1.6
113.05932	0.4
127.07527	0.5
217.88673	0.4
229.83115	0.5
233.22769	0.6
277.21698	100.0
278.22021	7.8
288.95563	0.4
295.12149	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.1
70.93954	0.4
71.01241	0.4
75.85189	0.1
76.63811	0.1
83.04886	0.2
127.07538	0.3
136.87355	0.1
149.48199	0.1
153.23225	0.1
191.47633	0.2
205.15848	0.3
233.22701	0.6
244.82037	0.2
259.20575	0.5
275.20181	0.3
277.21692	100.0
278.22055	8.4
278.24426	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01250	14.1
71.21394	20.0
81.05047	9.5
144.66548	8.7
192.99655	10.3
227.18909	9.2
273.39276	11.3
277.18344	20.5
277.21698	100.0
278.22079	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	275.1651
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
54.68538	0.6
57.12233	0.6
59.01234	2.9
64.19483	0.6
71.58089	1.2
81.47479	0.6
93.49960	0.6
116.92730	3.9
150.94704	1.3
172.31790	0.6
192.95769	8.4
214.89610	0.7
231.17496	2.5
247.16919	1.0
275.16504	100.0
276.16858	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	275.1651
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
52.29129	0.3
56.67623	0.2
59.01237	0.8
70.15832	1.2
71.01251	0.3
77.24066	0.3
79.95586	0.3
81.58904	0.2
97.17188	0.2
98.19909	0.3
116.92738	0.8
119.04932	0.4
135.25560	0.2
150.94669	0.3
169.38275	0.2
172.19614	0.2
189.17870	0.3
192.95786	1.6
214.89516	0.3
229.15967	0.6
231.17496	3.1
247.16986	0.9
273.14935	0.3
275.16507	100.0
276.13788	0.4
276.16837	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	277.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57209	1.1
59.01249	100.0
59.86441	1.1
60.01568	1.3
71.01257	8.2
73.02814	2.6
83.01234	1.5
84.57681	1.1
85.02825	4.0
89.02305	1.7
99.00735	2.0
101.02296	6.7
113.02307	1.7
141.81943	1.2
161.04459	3.2
167.65672	1.2
235.11853	8.7
277.07217	1.6
277.21680	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	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01246	7.7
69.40308	3.4
69.40722	0.9
71.01239	0.7
84.79828	0.4
88.53785	0.5
98.19695	0.6
121.02837	0.6
143.77690	0.5
152.91612	0.7
165.50467	0.5
172.63736	0.6
194.92743	0.6
205.15927	2.5
233.18979	0.7
233.22725	0.7
263.16568	0.4
266.28586	0.4
277.18143	14.4
277.21677	100.0
278.18820	0.8
278.22018	7.0
280.71860	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1495
Annotation	Nimbidiol
Peak:m/z	Relative Intensity
54.96666	0.8
55.98368	0.9
56.51687	0.8
57.12002	0.9
59.01242	2.1
69.46318	3.0
69.46741	4.3
69.67681	0.8
71.19364	0.9
73.93466	1.0
88.75713	1.0
94.05565	1.0
95.01263	1.0
98.20612	1.4
127.29945	1.0
132.82402	1.0
149.66051	0.9
149.88972	1.0
179.33818	0.9
245.15428	1.3
254.28140	1.1
273.14951	100.0
274.15253	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	275.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.8
56.32579	1.9
68.01269	3.0
69.03271	1.9
69.59485	14.0
70.02858	9.8
71.01239	8.3
71.02369	7.3
72.00789	12.9
72.99161	3.2
73.02808	7.2
82.02851	17.2
82.06497	4.6
84.04427	3.8
85.02818	9.7
86.02341	5.0
94.02854	3.4
94.78702	1.9
96.04413	5.3
97.03936	8.2
98.02358	23.4
98.20651	1.9
99.00768	12.0
99.05461	2.9
100.01142	1.8
100.03926	12.9
101.02361	2.9
108.04411	4.2
110.05955	4.4
110.98429	2.4
112.03917	11.5
113.02309	4.1
115.00274	4.8
115.05018	24.6
116.03424	3.7
117.06568	8.2
121.02829	2.4
122.05995	2.5
125.03440	4.7
128.03398	14.9
129.03738	3.7
137.07068	3.6
143.03491	3.6
143.04523	52.6
144.02919	100.0
145.03233	3.4
148.07527	3.0
152.07024	2.1
155.08180	3.2
159.00938	3.2
161.05594	28.1
162.04022	6.3
164.07147	4.0
165.10313	5.0
166.08681	2.5
166.27223	2.1
167.07986	2.2
182.08157	4.6
183.07663	6.4
194.08150	3.2
195.05202	2.0
197.05576	4.4
199.07100	7.9
199.10710	4.0
201.08609	3.3
209.09267	4.7
211.10789	3.3
213.08823	1.9
215.06754	6.4
227.10345	10.0
239.06653	2.7
239.10307	12.5
257.08286	3.4
257.11371	24.3
275.02051	4.4
275.08820	13.8
275.12457	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	275.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01279	6.0
69.03326	5.9
69.79767	5.4
70.02843	11.0
71.01273	9.6
71.02384	6.9
71.57925	7.2
72.00766	48.7
73.02811	11.1
75.00735	10.2
82.02847	30.4
84.04436	16.9
85.02834	25.0
86.02388	5.7
96.04404	10.9
97.03955	8.5
98.02348	24.5
99.00771	18.7
100.00282	6.7
100.03925	15.3
112.03919	12.4
115.05013	22.8
124.07545	13.0
127.05017	16.7
128.03384	11.1
134.05972	5.7
136.03908	8.3
143.04477	39.9
144.02924	100.0
153.06641	7.9
154.05005	12.3
161.05594	11.6
162.05501	11.2
171.04056	30.8
171.07623	6.5
179.08273	6.6
197.09242	8.0
199.06866	5.1
215.06667	13.9
217.08296	6.3
241.08223	14.6
257.07599	5.5
262.99799	6.4
275.08740	10.6
275.16223	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	275.0926
Annotation	cis-Casegravol
Peak:m/z	Relative Intensity
52.38481	2.1
59.01241	8.1
83.01265	2.3
93.00275	2.1
95.45111	2.1
96.35924	2.7
101.02332	2.5
106.04035	2.4
106.66147	2.2
116.92721	10.6
127.03036	2.3
129.07002	20.7
134.03645	10.9
153.48482	2.3
158.03610	6.6
162.03152	5.0
171.04453	3.4
171.08072	15.1
172.05206	35.2
173.05974	15.8
178.02585	3.5
185.02280	11.4
186.06702	4.9
187.03889	7.5
192.95764	14.2
199.03902	8.0
200.04721	85.4
201.05450	16.1
214.06262	27.9
215.07085	100.0
216.07367	6.8
228.04225	7.5
229.05003	87.6
230.05766	29.9
243.06613	28.7
244.07368	25.7
245.08154	58.5
246.08543	4.2
275.09222	44.8
275.16428	7.0
276.09360	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	273.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	10.8
64.90545	1.6
65.81998	1.5
66.03355	10.9
68.04913	8.2
69.95992	10.1
70.02837	9.1
71.01259	16.2
71.04890	2.4
72.00777	8.0
72.04411	4.4
72.79701	2.0
72.99223	2.3
74.02343	100.0
78.95761	2.1
80.22882	1.7
82.02852	3.0
84.04424	5.1
86.02346	3.9
96.42963	1.9
98.02343	23.3
98.05978	5.6
100.03868	3.4
110.98457	2.3
112.03921	49.9
112.43245	1.7
116.03422	55.2
127.04987	4.4
128.03407	14.2
128.07065	26.3
130.08620	22.9
130.98701	1.8
134.03798	1.6
135.04433	4.4
136.11212	2.7
142.08607	13.5
151.08627	2.4
153.10194	3.7
154.08682	12.8
155.11778	3.4
162.09079	1.7
168.10193	5.4
169.13383	3.1
179.11806	16.1
180.10223	8.1
195.11234	2.3
197.12874	60.3
198.13248	2.9
211.14496	3.7
213.12343	2.7
214.10846	9.7
223.10825	74.0
224.11116	3.9
232.11823	5.2
241.11882	44.2
273.03848	3.4
273.14548	78.5
274.14984	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	271.2278
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
55.43854	0.2
59.01226	0.5
70.16740	0.2
93.42584	0.3
96.42348	0.3
98.20641	0.6
98.77869	0.2
108.02053	0.7
109.02847	0.5
112.12701	0.3
125.02310	0.6
219.07274	0.3
225.22176	4.1
226.16356	0.3
229.50771	0.4
251.20184	0.2
253.21738	1.3
269.21271	1.1
271.22769	100.0
272.23111	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	271.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34556	0.5
59.01240	0.9
67.30331	0.6
71.58206	0.7
71.59241	0.5
92.11720	0.5
99.85207	0.4
107.24253	0.4
108.02071	0.8
109.02821	1.0
113.55663	0.4
123.04385	0.7
125.02331	1.6
138.79050	0.5
211.20627	2.1
219.63824	0.6
225.22174	1.3
238.79854	0.4
253.21686	1.3
256.07504	0.5
269.21225	1.1
271.22772	100.0
272.23099	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2278
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
50.76685	0.4
59.72805	0.4
69.66734	0.4
70.44656	1.0
70.45042	0.7
72.99166	0.5
84.57814	0.4
91.59644	0.4
98.20498	0.5
99.25803	0.4
102.60164	0.3
108.02058	0.5
125.02348	0.5
197.18983	0.6
209.38210	0.3
221.19009	1.0
222.47676	0.4
223.20592	4.6
225.22180	64.1
226.22488	4.6
233.30994	0.4
253.21663	1.1
271.22766	100.0
272.23108	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	270.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02845	1.9
59.01242	1.4
71.58405	1.6
82.02834	1.7
83.04880	0.9
83.09398	0.8
84.00078	0.9
102.51297	0.8
125.09619	1.6
147.34445	0.8
166.50819	0.7
169.12289	1.3
171.10143	9.2
181.12242	1.0
183.13811	3.6
190.44641	0.8
195.13829	2.8
196.13327	4.1
197.11751	5.7
198.15059	1.5
209.11800	2.0
211.13336	3.1
213.14896	13.0
222.11322	1.4
222.14909	2.3
223.13354	1.1
228.15903	2.1
234.11316	0.8
240.12306	7.4
240.15910	1.1
252.12335	10.5
252.15894	2.5
270.13602	9.5
270.17078	100.0
271.10916	16.2
271.17340	3.9
271.22308	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2074
Annotation	Tridecanoylglycine
Peak:m/z	Relative Intensity
58.10043	0.9
59.01247	2.0
62.96276	5.6
63.02703	1.1
70.65758	0.9
71.57957	1.1
71.58393	1.0
93.89285	1.1
99.53027	0.8
108.02045	1.7
109.02816	1.6
121.13555	1.2
125.02291	1.4
152.91655	0.9
186.45100	1.0
187.95847	1.8
188.85245	1.5
209.19044	34.3
210.19336	2.3
224.87694	0.9
226.21700	1.2
230.05865	1.1
252.19618	4.3
253.18059	23.6
254.18390	1.4
254.82718	1.2
256.07416	10.4
270.13272	3.2
270.20740	100.0
270.82809	1.5
271.09766	9.2
271.19064	4.2
271.21182	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	271.0612
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
59.01248	1.5
63.02262	10.1
65.00195	18.0
69.34933	5.2
69.35347	1.6
83.01254	12.7
85.02814	0.9
93.03342	13.4
97.37405	0.8
98.20609	1.4
107.01264	25.9
108.02061	1.6
109.02828	1.7
119.04914	69.6
120.05260	1.5
121.02865	1.3
125.02315	2.9
133.78795	0.8
143.35976	0.8
145.02864	1.1
151.00269	64.7
152.00635	2.1
161.05954	0.9
165.01836	3.4
169.01318	6.8
177.01837	8.7
185.05962	1.1
187.03856	1.9
227.07072	1.2
229.05212	1.0
243.06715	1.2
253.14493	1.1
256.07364	0.8
271.06107	100.0
271.19220	1.7
271.22684	4.2
272.06445	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	271.108
Annotation	Limazepine C
Peak:m/z	Relative Intensity
59.01246	5.4
65.48347	1.6
71.01250	2.1
71.58456	3.2
75.00757	2.7
76.88051	2.1
83.04888	1.7
108.02050	4.8
109.02837	6.5
125.02342	6.9
139.02504	1.7
171.10143	3.4
172.10600	1.7
183.13824	19.1
195.13846	17.1
197.13786	2.1
211.13277	3.1
213.14908	83.7
214.15265	5.0
228.16081	13.6
229.14417	5.3
241.08705	2.7
259.09540	4.9
271.10947	100.0
271.17365	8.0
271.19565	4.1
271.22556	10.5
272.11078	7.0
272.15018	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	270.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40575	3.5
66.03380	4.1
69.79544	5.2
69.79958	16.4
71.02376	10.4
72.00773	13.2
82.02853	52.0
83.01282	4.1
97.03952	7.8
98.02347	37.1
98.19862	4.0
99.00735	10.6
99.05537	4.3
100.03926	8.5
115.05009	15.7
125.10754	7.9
143.04544	30.2
144.02937	16.5
147.78961	3.0
168.10170	8.1
170.89867	3.3
179.11810	4.0
180.11400	57.9
189.10207	10.5
207.11316	71.8
208.11496	4.9
208.14482	5.7
212.09233	7.8
224.13982	48.7
229.11827	4.1
234.12444	5.9
244.32082	4.1
252.13483	100.0
253.13766	7.6
270.14566	57.3
271.22662	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	268.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10449	0.9
55.83673	0.8
57.97432	10.6
59.01234	1.9
60.97390	1.7
63.96096	1.2
66.09028	0.8
70.44574	2.2
71.01241	1.1
71.04879	1.7
76.96888	3.7
79.95603	100.0
80.96389	21.3
87.02631	1.1
92.34272	0.8
94.74567	0.8
95.95114	1.2
97.06421	0.9
100.07552	1.3
108.95893	11.0
113.63175	0.9
117.69186	0.9
126.12796	5.6
133.02852	2.8
140.93112	35.0
163.94664	1.1
167.94122	1.0
170.11760	1.2
172.13326	10.8
180.10999	1.3
186.09512	1.8
195.98640	1.2
210.99733	4.2
220.45717	0.8
224.82506	1.0
225.01273	6.8
236.09581	97.8
237.09813	3.4
240.58714	0.8
250.05656	1.5
268.06808	84.5
268.16245	4.9
269.04520	8.9
269.07162	4.2
269.17496	2.8
269.21152	4.4
269.24020	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	11.4
57.03327	7.3
58.00467	2.1
58.02850	0.7
58.27050	0.7
59.01249	41.8
63.22076	0.6
69.03324	1.2
71.01250	100.0
71.57859	0.6
71.90859	0.7
72.01569	0.9
72.99184	5.7
73.02815	35.2
74.03194	1.1
75.00741	1.1
81.03356	0.7
82.02866	1.1
82.06497	0.7
83.01257	19.3
85.02818	52.6
85.99980	0.9
86.03196	1.0
87.00751	4.8
87.40511	0.7
89.02278	3.4
89.51588	0.7
95.01268	6.9
97.02825	1.5
99.00751	17.1
101.02319	74.5
102.02636	1.4
107.04932	1.3
111.00780	1.1
113.02326	39.6
114.02679	0.7
125.02328	1.9
129.01820	1.6
135.04422	0.9
143.03389	2.2
159.02887	7.2
161.04454	23.3
164.56715	0.7
205.03548	1.7
209.09299	4.5
240.26491	0.7
269.04541	1.0
269.10385	5.9
269.13968	1.0
269.21249	9.5
269.24765	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	269.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	1.4
59.01224	0.8
59.82935	0.5
69.03319	3.5
71.04888	1.2
73.02821	18.2
81.03316	0.7
85.02817	1.4
90.32967	0.5
95.04877	0.9
97.06461	0.5
113.05926	0.6
126.87595	0.5
137.09615	3.1
138.09987	0.5
155.10678	32.3
156.11009	1.0
163.11192	2.2
169.12251	1.9
174.08801	0.6
181.12256	31.9
182.12596	1.7
197.11748	1.9
199.13382	0.8
207.13783	0.7
223.17676	0.5
225.05598	0.7
233.11717	0.5
233.15276	1.1
251.16541	5.5
252.17104	0.6
269.04599	3.9
269.17578	100.0
269.21066	9.0
270.17862	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2172
Annotation	Hydroprene
Peak:m/z	Relative Intensity
53.13493	0.7
57.56495	0.7
59.01233	2.2
59.07100	0.7
66.34526	0.8
68.83724	0.7
70.87747	2.3
86.65860	0.8
96.95879	19.7
134.04655	1.0
143.97916	0.9
152.79393	0.9
193.24469	0.8
265.14813	11.7
265.21695	100.0
266.22058	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	267.0659
Annotation	Dorstegin
Peak:m/z	Relative Intensity
51.43686	1.1
58.44719	1.1
59.01236	6.2
62.75424	1.1
67.74224	1.2
69.81988	1.1
71.01251	6.4
73.02819	1.2
81.03352	1.2
82.69802	1.3
85.02832	1.7
89.02314	2.1
97.91940	1.2
98.20583	2.5
101.02315	4.0
111.08036	1.1
113.02303	3.3
121.02851	2.6
134.15524	1.3
135.07428	1.2
160.84120	2.0
161.04468	2.0
183.34451	1.2
197.06003	100.0
198.06300	5.9
209.04442	3.2
223.07594	5.7
223.20566	1.6
267.06610	34.9
267.09805	2.2
267.10660	2.1
267.15897	1.7
267.19513	4.1
268.06955	2.6
271.62546	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	267.1238
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
57.03321	3.2
59.01250	100.0
60.01597	0.7
68.69328	0.7
69.78021	5.0
69.94942	0.7
71.01260	1.4
71.04893	2.1
83.04897	2.7
83.88831	0.7
87.00768	2.2
89.02345	0.8
139.91957	0.9
148.16191	0.7
161.04498	0.9
161.09608	0.9
161.13295	2.7
162.14522	0.8
163.11195	1.6
178.89256	0.8
179.14430	1.0
195.13861	2.8
205.12306	2.3
207.10205	3.5
223.13329	44.5
224.13779	2.6
267.12732	5.7
267.15677	3.7
268.12521	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.16
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.92278	0.5
57.03322	3.6
59.01239	1.8
59.98388	0.8
69.03321	7.4
69.31875	4.8
71.01247	1.1
71.04910	1.2
73.02804	1.9
81.03329	1.3
81.06953	1.7
83.04885	2.1
85.02838	0.4
87.04368	0.8
95.04903	2.4
99.04398	4.8
101.02306	0.5
113.05961	1.4
114.26448	0.5
119.08532	0.8
131.27669	0.5
133.10114	0.8
135.08041	0.9
135.11673	2.6
137.09595	1.5
146.49832	0.5
151.11145	0.7
151.93961	0.5
153.09117	13.2
153.12631	0.5
154.09460	1.1
167.10683	1.8
179.10695	36.0
180.11017	2.0
195.10193	0.5
197.11790	0.5
213.07715	0.5
223.13455	0.6
249.14890	4.0
250.15054	0.6
267.15994	100.0
268.16357	6.8
271.95935	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88360	4.9
59.01242	14.3
69.97002	5.3
71.01266	7.4
71.02377	43.1
71.04891	50.5
71.56734	4.3
71.57146	6.5
72.00774	45.7
73.02815	10.5
74.02367	7.3
82.02857	19.6
86.02348	68.2
87.00745	6.5
97.03943	36.7
98.02356	81.0
99.00744	35.6
100.00282	18.6
100.03905	28.5
100.07580	12.8
101.05947	37.1
112.03921	6.4
113.55085	5.3
115.05027	95.2
116.03415	50.4
125.03459	10.8
128.07068	18.6
138.05440	16.5
142.08725	8.2
143.04533	100.0
144.02931	65.1
155.08186	9.8
159.04008	12.8
161.05594	9.4
173.05557	7.0
183.07687	9.7
183.59430	5.6
217.11887	5.9
245.11362	20.7
263.12521	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1497
Annotation	n-Hexyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01749	10.4
57.03314	9.0
58.00465	4.0
59.01248	60.6
69.03332	2.9
69.25436	1.3
71.01248	79.0
71.07244	3.0
71.07587	1.5
72.01594	1.7
72.99162	6.6
73.02813	40.0
75.00761	1.7
81.03310	1.6
81.23864	1.4
83.01245	19.3
85.02814	51.4
85.03331	2.7
85.99968	3.4
87.00747	5.4
89.02308	5.3
89.03816	2.0
95.01250	8.2
97.02837	2.6
99.00741	14.3
99.08013	2.5
101.02316	100.0
101.09572	1.6
102.02680	1.7
111.00758	3.1
113.02319	35.3
114.02635	1.2
117.03347	3.5
125.02301	2.4
129.01837	1.5
131.03398	1.5
143.03416	2.0
159.02910	5.1
161.04449	19.8
171.10219	2.8
205.03571	1.8
219.13878	1.5
252.12582	1.2
263.09323	3.5
263.12579	2.0
263.14963	17.4
264.74515	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2014
Annotation	KDC 165
Peak:m/z	Relative Intensity
59.01254	2.1
62.94498	0.3
71.01250	1.3
80.41941	0.3
96.11488	0.3
127.58422	0.3
146.23811	0.3
148.45808	0.3
152.79590	0.3
156.31137	0.4
219.21100	0.8
245.19064	0.5
261.18576	0.5
262.97900	0.3
263.20142	100.0
264.20486	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	259.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11153	0.5
57.03319	0.7
59.01248	19.4
68.01274	1.3
68.51542	0.5
69.03351	0.9
69.56344	4.5
70.02850	1.9
71.01247	1.0
72.00779	5.8
72.99173	1.6
73.02821	1.0
78.95777	1.6
81.70309	0.5
82.02855	0.7
83.04881	0.6
86.02348	1.2
87.00735	0.6
88.41719	0.6
94.02866	0.9
96.04442	2.3
96.96827	0.8
98.02361	2.5
98.19795	1.2
99.00745	1.3
100.03908	0.9
103.09512	0.6
103.62543	0.5
106.06509	0.9
113.03561	0.5
122.05971	0.6
124.07586	1.7
125.09607	0.9
127.11186	1.5
128.03409	0.8
129.02057	0.7
134.03471	0.8
134.06082	0.6
135.04370	0.7
135.05481	0.6
137.09634	6.6
138.05518	1.0
138.09908	0.7
143.04492	1.6
144.02928	8.5
145.03276	0.6
149.07133	1.0
150.05484	1.7
153.09077	0.7
155.10680	100.0
156.11028	4.4
161.05615	0.9
167.08185	1.3
168.06580	0.9
171.10176	23.8
172.10551	0.9
179.08226	0.8
181.08662	1.1
197.09338	1.3
199.09694	34.9
200.10022	2.4
201.11162	0.6
217.10754	92.5
218.11089	4.8
234.70642	0.6
241.08287	5.7
259.02338	1.2
259.06375	0.9
259.09314	5.7
259.11847	13.7
259.14935	1.0
260.12131	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.088
Annotation	(+)-Neothramycin A
Peak:m/z	Relative Intensity
57.73600	1.1
59.01253	5.6
61.85363	1.2
66.34208	1.0
70.02861	8.9
70.03191	1.5
70.30236	1.3
71.57735	1.2
71.58101	1.7
72.04418	4.9
74.02341	100.0
75.02649	1.7
83.03590	1.0
83.18476	1.1
84.04398	2.1
96.15649	1.1
98.02353	20.7
102.26730	1.1
110.64201	1.1
116.03412	59.7
128.03424	6.8
132.04446	30.2
144.04480	6.0
191.05539	1.5
201.06648	11.6
217.09654	1.3
219.07726	3.0
246.71353	1.1
261.08792	28.6
262.08936	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	261.1129
Annotation	Parthenin
Peak:m/z	Relative Intensity
59.01240	1.2
65.08574	0.5
71.58026	0.4
73.24348	0.6
87.00746	1.7
107.04896	1.1
109.06457	2.1
118.94065	0.9
125.09573	1.5
134.07274	1.5
136.93869	1.9
149.06013	0.6
151.22150	0.6
151.87358	0.6
159.59668	0.6
160.08813	0.8
161.05971	2.0
162.06758	7.7
163.04903	0.6
163.07166	0.6
173.02409	1.2
178.95010	3.5
178.97626	0.6
185.02301	0.6
187.09653	0.8
197.09720	0.6
205.04939	0.6
206.05771	4.4
217.05040	2.9
217.08650	3.1
217.12245	7.8
235.17018	2.0
238.04774	9.7
260.87442	0.6
261.11295	100.0
262.11621	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	259.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28421	1.6
54.61870	1.6
68.01270	2.7
69.83065	9.3
70.02857	10.1
71.01270	1.7
72.00777	58.7
72.27345	2.1
72.99183	13.7
82.02856	5.4
86.02359	7.0
94.02898	3.2
96.04416	12.8
97.02795	2.7
98.02366	23.3
98.05974	2.3
99.00747	6.6
100.03925	6.7
106.06501	4.5
108.04436	3.0
113.03451	6.2
115.05026	3.6
116.03400	6.4
122.05961	3.5
124.03916	4.3
124.07557	14.2
125.03412	1.8
128.03427	7.4
134.06012	3.4
136.03960	5.6
138.05505	6.8
140.07080	2.4
142.01324	2.7
143.04526	15.2
144.02928	76.7
149.07088	6.2
150.05510	13.8
153.06587	3.1
154.04967	5.3
161.05623	7.1
161.07022	3.5
165.19478	1.9
167.08148	24.3
168.06569	8.4
172.06039	3.2
179.08170	21.7
180.06641	10.7
185.09140	3.2
188.09227	3.5
194.04497	3.1
197.09294	18.7
206.04601	2.8
211.07150	5.9
215.10382	2.9
223.07228	3.7
224.05623	9.6
229.07964	2.1
241.08253	88.2
242.06654	6.8
259.09344	100.0
260.09775	2.5
261.43054	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	257.1757
Annotation	TETRADECANEDIOIC ACID
Peak:m/z	Relative Intensity
51.08249	0.4
59.01249	1.1
70.45634	1.6
70.65140	0.4
71.01252	2.9
73.02818	33.8
76.03268	0.4
77.46162	0.4
83.02358	0.5
83.04910	1.3
85.36258	0.5
98.19872	0.6
108.02127	0.5
114.49009	0.4
174.99109	0.5
183.13821	41.8
184.14157	2.6
195.13834	4.6
199.09770	0.5
203.97107	0.7
213.14668	0.7
221.15457	3.5
221.84229	1.3
222.15692	0.6
227.60098	0.5
239.16484	12.9
240.16795	1.2
255.15991	1.0
257.08154	2.1
257.17551	100.0
258.15439	0.8
258.17923	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	258.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.8
66.03365	0.6
70.87571	0.6
70.87913	0.8
72.00753	0.6
78.03371	1.3
80.04925	100.0
81.05257	2.1
90.14227	0.4
94.02849	1.3
95.29934	0.4
96.04421	47.6
97.04773	1.4
104.60954	0.4
110.05996	94.6
111.06342	3.3
114.74108	0.4
116.92719	0.5
117.53217	0.4
120.30551	0.4
122.02380	1.1
134.15401	0.4
144.02916	0.8
147.03278	0.8
147.04420	12.9
148.04720	0.8
203.97220	0.9
221.84259	0.8
241.08170	0.7
258.11328	16.8
259.09296	0.9
259.11707	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	259.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.0
57.03327	0.6
66.03355	2.6
68.01285	5.3
68.04930	0.7
69.03330	2.3
69.24962	2.4
69.25384	2.5
70.02847	21.7
71.01237	2.5
71.02377	1.5
72.00775	65.0
72.99174	11.9
73.01118	0.8
73.02817	3.9
78.95747	1.4
80.04920	1.7
81.02071	0.9
81.03320	0.6
82.02848	9.0
82.06490	0.7
83.01275	0.5
83.04893	1.3
84.02032	0.5
84.04421	1.9
85.02814	1.0
85.72041	0.4
86.02342	7.7
87.00761	2.2
88.03906	1.4
92.04911	0.6
94.02853	4.5
94.06509	1.1
95.02414	0.6
95.04898	1.3
96.00778	3.5
96.04423	21.8
96.05049	1.0
96.96845	0.8
97.02821	2.7
97.03953	2.7
98.02350	23.5
98.05982	2.1
99.00753	8.4
100.03920	7.8
101.67361	0.5
104.04963	0.6
106.06506	5.5
107.03637	5.0
107.04903	1.9
108.04433	7.5
108.08080	0.6
109.03988	0.9
110.02338	1.0
110.05980	1.7
111.04393	1.3
112.03918	1.0
113.03459	3.5
115.05020	4.5
116.03411	6.4
118.06540	0.5
120.04408	2.9
122.06010	6.0
123.03146	2.2
123.04440	0.5
123.05528	0.7
124.03954	5.4
124.07570	16.0
125.03447	2.0
126.01844	0.5
126.05503	1.3
127.04992	0.5
128.03426	4.8
134.06013	5.0
135.03185	1.1
135.04480	0.7
135.05516	1.4
136.03929	6.1
136.07558	1.7
137.07150	0.9
138.05499	8.2
139.08650	1.0
140.07072	3.0
142.01353	1.5
142.04977	1.7
143.04518	15.7
144.02919	86.5
145.03258	2.2
149.07094	5.7
150.05501	13.9
150.07343	0.5
151.08687	1.4
152.07069	3.3
153.06575	2.3
154.05003	5.3
154.08662	0.8
161.05579	7.4
161.07091	1.6
162.05583	3.0
167.08160	20.4
167.09592	1.1
168.06566	8.0
168.08533	1.2
170.08142	1.6
171.04074	1.1
172.06090	2.1
179.08171	16.7
180.06572	7.3
180.08109	0.8
185.09253	3.6
186.07669	1.4
188.09239	3.0
194.04504	2.6
195.07680	1.7
196.06122	0.6
197.09239	16.5
198.07675	1.3
198.09499	0.7
206.04579	2.7
211.07133	4.3
211.78763	0.4
212.05569	1.2
213.08728	0.7
215.10292	2.6
223.07225	2.7
224.05592	9.1
225.05867	0.5
229.08282	1.4
241.08252	88.4
242.06447	5.0
242.08763	3.7
249.42224	0.5
259.09323	100.0
260.02335	0.5
260.09662	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	253.2171
Annotation	Sapienic acid
Peak:m/z	Relative Intensity
53.50515	13.5
57.41086	13.5
59.01243	39.8
70.49298	54.1
77.75475	15.8
80.83657	16.1
87.52283	14.9
96.01630	17.3
100.60325	15.7
111.12917	14.0
160.32266	15.0
206.68208	13.5
253.21735	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1137
Annotation	3-Isopropyl-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-1,9(4H)-dione
Peak:m/z	Relative Intensity
50.12563	0.3
51.62587	0.4
51.84013	0.3
52.45745	0.3
53.60115	0.4
65.03808	0.4
70.96667	0.7
70.97004	0.4
82.26204	0.4
90.03397	0.4
95.04898	1.8
108.04433	0.8
114.10022	0.4
120.04457	1.7
122.05988	1.5
127.82472	0.4
132.04462	1.1
133.05188	0.4
134.06010	6.1
136.07520	0.4
145.05219	1.4
159.05574	4.2
160.06238	0.6
182.06012	3.1
192.23691	0.4
194.92885	0.4
196.07588	2.2
197.08514	1.8
210.09193	0.6
212.10745	9.9
213.11099	0.8
225.06667	2.6
226.07399	5.0
227.11867	0.5
228.10364	0.6
239.08214	7.4
240.08984	12.5
241.09340	1.2
243.61946	0.3
255.11363	100.0
255.23264	17.7
256.11707	7.0
256.23645	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61687	0.8
70.65819	2.6
72.99191	1.2
80.04926	59.5
81.05270	2.1
83.01259	9.7
94.02895	1.0
96.04421	27.5
99.00745	11.8
110.05997	100.0
111.06321	3.4
116.04954	1.7
118.06474	2.2
126.05462	0.9
144.02875	1.1
168.86652	0.9
194.08141	4.9
204.97360	1.0
210.07703	4.2
212.09212	15.7
213.09439	0.9
238.07164	95.0
239.07492	6.8
255.23225	2.7
256.08221	12.9
256.23636	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	256.1916
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
50.17077	0.3
54.43867	0.3
55.61653	0.3
69.28219	2.6
69.28628	0.4
69.94853	0.3
72.04417	0.6
74.02341	100.0
74.30617	0.3
75.02671	1.0
84.04420	1.1
101.69143	0.3
134.03055	0.3
154.30229	0.3
156.05099	0.3
170.88271	0.4
183.17455	0.3
197.90089	0.4
202.88632	0.5
210.18513	0.4
212.20161	4.1
212.88004	0.4
213.20576	0.3
219.84485	6.5
219.86377	0.3
224.82983	0.3
256.19174	40.7
256.23462	17.2
257.17441	0.7
257.19699	2.7
257.23984	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0817
Annotation	Dehydrooxoperezinone
Peak:m/z	Relative Intensity
51.02268	1.0
52.04141	0.6
53.00184	0.6
55.01743	0.9
57.03305	0.8
59.01250	1.3
65.99715	1.0
67.01759	24.2
68.99678	2.7
69.03322	2.2
71.58240	0.9
73.02804	0.7
79.01786	1.7
79.95607	1.3
80.02527	0.6
80.96376	0.6
81.03327	18.3
83.01266	3.2
83.02324	0.9
83.04854	0.8
85.02820	1.2
91.98130	0.6
93.03339	1.0
95.01260	20.9
96.01536	0.6
97.02811	1.2
97.77258	0.6
99.00746	0.7
102.36431	0.5
103.69110	0.6
106.60916	0.5
107.01264	16.3
108.02048	1.2
109.02859	5.0
109.99977	2.6
111.00058	1.1
111.00768	14.9
112.98663	2.1
116.92738	0.7
122.03603	1.3
123.00764	35.9
124.01105	0.7
125.02334	30.8
125.09638	1.3
126.02683	1.2
137.02325	0.8
138.03120	5.5
139.00284	1.4
151.00272	75.9
152.00621	3.4
153.01793	0.8
166.02625	54.4
167.02992	3.0
198.06694	1.1
207.10123	1.0
219.84464	1.2
221.84222	3.2
225.11235	1.8
228.55925	0.7
235.53943	0.6
242.05800	39.7
243.06230	3.0
256.23633	4.4
257.08151	100.0
257.13708	2.9
257.17511	8.1
257.23886	2.8
258.08502	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	253.0926
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
57.03331	2.6
58.00465	4.4
59.01249	100.0
69.48919	7.4
69.49338	9.5
71.01251	54.5
72.99189	4.1
73.02818	6.6
76.00203	1.8
83.01249	5.6
85.02818	12.5
86.04116	1.8
87.00764	7.1
89.02316	42.9
95.01277	3.8
97.02834	2.6
98.20497	4.9
99.00742	3.8
101.02316	46.3
113.02318	25.3
119.03391	14.7
131.03387	2.6
143.03432	3.0
161.04459	19.0
169.93045	2.3
179.05487	7.3
217.24246	2.1
253.09247	64.2
253.14366	2.9
254.09698	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	253.0922
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
52.79640	0.9
55.01744	3.3
57.03307	1.5
58.00464	3.8
59.01248	100.0
60.01594	1.5
64.45406	1.1
69.03337	1.0
71.01252	61.4
71.21703	2.4
72.99181	3.7
73.02816	8.0
83.01245	6.1
85.02824	13.7
87.00740	7.6
89.02313	56.2
90.02628	1.4
91.03874	3.3
95.01260	4.9
97.02810	1.1
97.93861	1.1
98.64912	0.9
99.00754	1.6
101.02321	63.8
113.02325	27.1
115.67780	1.0
118.46252	1.2
119.03389	17.7
125.02324	1.9
143.03372	5.2
149.04526	1.4
161.04471	24.9
179.05527	8.9
253.09251	76.7
254.09563	4.1
271.67551	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2171
Annotation	Delta2-cis-Hexadecenoic Acid
Peak:m/z	Relative Intensity
59.01241	0.8
70.81727	0.8
70.82076	0.3
71.01244	0.3
73.42455	0.3
77.32460	0.3
106.50470	0.3
117.93475	0.3
129.52789	0.3
145.86746	0.3
165.46143	0.3
167.41496	0.3
253.21703	100.0
254.22050	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	251.2014
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
58.65283	0.3
59.01234	1.3
70.82047	0.9
70.82397	0.5
94.02876	0.5
101.02351	0.4
174.86195	0.3
187.37683	0.4
201.97379	0.3
233.19095	0.5
251.20123	100.0
252.20457	8.9
252.23027	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34272	0.2
59.01263	1.2
71.01234	0.3
71.38092	0.3
79.95605	100.0
80.95553	0.4
80.96384	0.7
101.02325	0.4
109.04810	0.2
113.41105	0.3
126.12770	0.8
157.76472	0.2
160.11542	0.6
188.09416	0.5
188.11072	8.1
233.23106	0.4
252.07306	37.7
253.07542	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	252.073
Annotation	Neopterin
Peak:m/z	Relative Intensity
55.35232	0.2
59.01241	0.4
70.71110	0.8
79.95603	100.0
80.95552	0.4
80.96381	0.8
110.55684	0.2
112.54606	0.2
114.22108	0.2
126.12792	1.1
188.11057	6.8
189.11372	0.4
221.38222	0.2
252.07301	36.6
253.07480	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1855
Annotation	roughanic acid
Peak:m/z	Relative Intensity
56.47134	0.5
57.43144	0.5
59.01247	3.1
71.01258	0.8
71.02856	0.5
73.02824	0.7
79.95605	0.7
95.31165	0.6
184.00172	0.7
184.50220	1.0
205.15912	2.0
205.19504	1.0
216.86934	0.5
229.27278	0.6
231.17426	0.8
238.43477	0.6
247.17035	1.1
248.58087	1.9
249.14963	3.6
249.18553	100.0
250.14473	12.5
250.18822	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	251.1035
Annotation	H-TYR-ALA-OH
Peak:m/z	Relative Intensity
50.60824	1.6
51.82043	1.7
59.01249	6.3
69.76156	8.8
69.76566	2.8
71.01261	6.2
82.02853	2.7
82.90254	1.6
85.02805	2.7
92.04934	10.5
92.83216	1.5
101.02312	4.4
102.05485	27.6
113.02322	2.5
120.04436	16.9
122.06002	6.1
128.03424	100.0
129.03757	3.3
146.04482	29.2
159.09158	1.8
233.09236	2.1
251.10355	42.6
252.10703	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	249.1493
Annotation	Hebelophyllene A
Peak:m/z	Relative Intensity
57.26738	0.4
59.01254	2.0
61.98687	0.6
63.28035	0.4
65.86828	0.5
69.78717	0.3
70.16334	1.9
71.01209	0.4
72.99197	0.4
73.02811	0.4
73.11557	0.3
75.94592	0.3
85.02826	0.4
86.76023	0.3
87.92365	0.4
103.91892	1.5
106.13419	0.4
109.02736	0.5
121.02808	0.4
123.94440	0.6
130.94258	2.6
133.06517	0.6
135.07985	0.8
142.87521	0.4
145.96581	0.7
147.94524	0.8
165.95576	2.3
168.88940	0.5
171.52884	0.4
183.79483	0.4
189.95596	1.3
203.14352	2.3
205.15944	2.4
207.96603	3.1
219.03004	0.4
222.07944	0.5
231.13844	14.6
232.14169	1.2
241.45264	0.4
249.14919	100.0
250.15215	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	249.1492
Annotation	Sch 601254
Peak:m/z	Relative Intensity
55.25150	1.0
55.84745	1.0
57.03310	1.1
59.01250	13.2
61.98705	2.2
64.34734	1.1
69.03325	37.7
71.01245	3.2
71.04861	1.3
71.16076	2.0
73.47826	1.1
73.55473	1.3
79.95573	1.9
83.04886	4.1
85.02807	1.8
93.03318	1.7
95.04908	4.3
97.06451	1.7
103.91871	1.7
106.04109	1.5
109.06491	1.3
111.08047	2.4
119.04906	1.5
121.06481	1.6
130.94218	3.5
133.10121	1.8
134.07268	2.1
145.96606	1.4
147.94612	2.7
149.13252	3.9
161.13431	1.2
165.95578	2.5
167.10672	3.3
168.88916	2.5
171.10120	1.2
179.10695	1.4
184.50262	1.4
187.03748	1.3
187.14841	5.1
191.10811	1.5
193.12297	7.7
203.14333	2.2
205.12299	10.5
205.15912	15.0
207.96681	3.5
221.15392	20.6
231.13837	38.9
232.14124	3.0
248.57994	1.8
249.03867	2.4
249.14923	100.0
250.15086	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	245.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16313	0.2
56.58892	0.2
59.01247	42.9
60.01596	0.5
64.03082	0.2
71.29477	0.4
87.34479	0.2
89.37256	0.2
95.62296	0.2
104.81985	0.3
109.06461	0.3
117.83914	0.3
121.03816	0.2
125.09654	0.3
127.11166	4.5
137.09645	0.3
139.11171	2.0
141.16164	0.2
155.10661	2.1
157.12244	19.8
158.12601	0.9
185.11746	15.4
186.12079	0.9
201.11209	0.5
201.75641	0.3
203.12813	100.0
204.13164	6.3
245.08224	0.3
245.11578	0.5
245.13892	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37941	1.4
60.99179	2.2
67.01756	8.5
71.01237	2.5
71.57991	1.9
72.99179	100.0
81.03343	1.5
83.43342	1.4
87.00744	12.0
93.03336	44.3
107.57830	1.4
111.04408	6.7
129.01784	1.9
154.51056	1.5
155.03453	1.9
161.81158	1.4
173.04469	90.0
174.04805	5.2
184.76765	1.5
247.04539	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	1.1
58.02837	1.1
66.03366	1.0
70.02843	0.7
71.01265	0.9
71.04897	6.6
71.19835	1.1
71.20177	1.1
72.00765	2.7
72.04381	1.0
72.25104	0.6
82.02854	33.5
83.02387	0.7
84.00777	2.6
84.04424	3.1
85.03935	1.3
86.05972	2.9
98.02356	19.1
99.00735	4.0
99.05482	1.4
100.03916	2.9
102.09100	1.5
111.05530	4.4
112.03918	6.5
113.07101	1.9
116.03413	1.1
128.03481	0.8
128.07076	1.1
143.04469	1.0
144.02942	9.5
156.10243	0.9
157.09734	22.8
158.10126	1.6
163.40005	0.6
171.11281	0.7
184.09711	30.8
185.10127	1.8
185.12878	2.0
201.12375	50.8
202.12816	3.8
211.10834	3.4
212.09227	1.5
229.11887	100.0
230.12192	6.2
247.12961	57.8
248.13278	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	247.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00455	4.8
59.01251	50.3
61.76662	1.2
68.01286	26.7
69.71394	9.1
70.02850	26.3
71.01254	6.5
72.00780	9.2
72.99179	23.3
74.02345	100.0
75.71170	1.3
79.53156	1.1
86.01861	2.4
86.02344	31.3
87.00753	1.9
88.03921	5.6
93.03356	9.5
98.02348	6.3
102.01839	9.6
108.11555	1.2
116.03401	1.8
125.56462	1.2
140.10715	3.7
142.08641	2.5
143.11792	1.8
144.10181	4.7
155.11722	1.5
156.10214	7.8
160.02376	1.6
165.10265	2.7
167.11807	27.5
168.10223	2.6
169.09694	2.0
169.76591	1.2
172.09703	18.6
173.04478	13.0
181.09732	2.7
185.12881	1.6
201.12363	4.1
211.10822	59.8
212.09196	3.1
212.11198	3.8
213.75066	1.1
214.77458	1.2
229.11812	2.3
247.04472	2.1
247.12973	56.9
248.13248	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	247.17
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
59.01251	0.2
71.58693	0.1
79.95593	0.3
107.98719	0.1
121.02840	0.3
172.11897	0.1
176.99348	0.3
184.00125	2.0
186.95461	0.2
191.00803	0.1
205.15942	0.4
220.17039	1.7
231.13794	0.5
247.16995	100.0
248.07935	1.9
248.17339	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	249.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26083	1.1
55.37385	1.3
59.01257	2.6
71.28611	2.5
76.17767	1.1
81.33035	1.1
127.07487	6.0
142.49632	1.2
151.11130	1.4
165.09160	1.3
165.95584	1.8
167.06781	2.6
179.10715	1.7
181.12263	26.5
183.13782	2.1
189.95775	1.4
201.08913	6.6
203.10486	11.0
205.08501	2.5
205.12068	2.1
207.96642	1.8
211.05853	1.4
215.06821	1.8
217.05055	1.4
217.08340	3.2
219.09961	5.4
221.11543	10.2
223.13097	95.1
224.13382	7.9
233.07901	7.0
235.09471	12.5
236.09840	1.6
237.11066	18.9
238.11421	1.9
240.15460	1.2
241.14113	3.3
249.11049	100.0
250.11440	8.7
250.13863	1.5
265.10559	13.3
267.12115	92.3
268.12424	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	245.114
Annotation	H-GLU-VAL-OH
Peak:m/z	Relative Intensity
56.06585	2.4
68.72144	2.1
71.49403	3.6
72.00778	38.8
72.04426	2.1
73.02811	6.6
80.91173	2.4
82.02853	30.8
83.03212	2.6
84.04414	2.7
87.00740	7.4
88.52556	2.0
98.02364	3.4
98.05989	2.7
98.20492	2.2
99.00733	3.6
100.03928	11.9
100.07512	3.2
101.85981	2.2
108.79421	2.6
109.03906	2.3
116.07066	26.0
116.36177	2.2
125.07127	3.2
127.05020	35.4
128.03438	32.3
138.05496	2.7
143.04482	3.1
144.02917	56.4
145.03294	3.2
145.06078	8.5
149.35930	2.7
152.07059	6.9
153.10213	7.2
155.08142	8.3
182.08154	18.3
197.09213	5.6
199.10802	13.5
209.09241	4.1
227.10318	100.0
227.12553	5.9
228.10625	5.6
245.08940	2.4
245.11391	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.114
Annotation	H-Val-Glu-OH
Peak:m/z	Relative Intensity
51.07173	1.9
58.20825	2.2
59.01244	7.3
68.97412	2.6
70.02859	6.2
71.01255	2.9
71.02376	14.8
71.04883	10.1
72.00776	24.4
72.65452	2.4
72.99181	2.7
73.02821	2.6
74.02346	5.1
82.02850	23.5
82.06513	2.9
86.02345	17.0
88.03912	4.7
93.03359	2.4
97.03951	23.0
98.02354	47.4
99.00757	9.9
99.05504	4.6
100.03944	6.8
101.05946	12.0
102.01852	2.7
115.05010	61.6
115.56968	2.3
116.03428	2.6
117.06571	2.9
125.03402	6.2
137.16270	2.1
138.05502	9.3
140.07010	2.7
142.08592	3.4
143.04518	100.0
144.02922	43.5
155.08157	9.9
161.05624	10.9
165.10234	3.1
170.00186	2.3
170.08162	3.7
173.04562	2.7
182.08131	9.7
183.07613	3.0
183.11246	3.9
199.10803	17.0
209.09215	7.2
227.10306	56.7
228.10707	3.6
245.08868	4.1
245.11436	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65474	1.6
53.40004	1.4
53.74788	1.4
53.82982	1.5
69.50526	7.6
69.50938	4.5
71.01261	2.0
71.04874	2.6
72.00776	63.6
73.02825	7.2
82.02852	4.2
83.72812	1.5
86.02330	2.0
91.20258	1.6
98.02342	3.5
99.00753	2.2
100.03903	12.6
100.07513	1.7
101.05943	9.1
111.05516	3.8
115.05019	4.5
128.03375	1.7
143.04501	12.1
144.02921	100.0
145.03300	3.4
161.05630	3.1
163.67387	1.5
165.10272	2.2
172.09721	2.7
182.08005	1.7
201.12360	5.3
227.10399	12.5
245.11429	21.6
246.14906	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	245.1139
Annotation	beta-Asp-Ile
Peak:m/z	Relative Intensity
54.09346	1.8
54.25982	2.0
55.66314	2.1
56.24102	2.0
63.28717	2.0
69.19592	2.2
70.02859	3.0
71.01246	3.9
71.07068	7.2
72.00770	36.6
72.99176	34.8
73.02808	10.2
74.66282	2.3
80.04933	9.7
82.02842	13.5
82.06488	13.0
85.03948	2.3
90.96252	2.0
98.02364	15.8
99.00760	12.6
100.03919	12.3
108.04437	9.9
110.05977	6.5
113.03442	6.8
116.03418	4.4
122.09642	2.7
125.07096	5.4
130.08632	4.4
138.09126	2.8
139.08661	21.5
143.40369	2.2
144.02921	100.0
145.03230	3.1
148.07578	3.2
152.07056	7.7
153.10233	3.6
154.08629	8.1
165.10254	10.5
166.08661	15.7
169.09657	3.3
171.11292	11.3
183.11246	5.6
184.09735	4.8
197.09264	13.9
210.07603	4.9
215.10266	5.6
227.10338	39.2
245.11353	34.4
246.11620	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	245.0816
Annotation	Hibiscoquinone B
Peak:m/z	Relative Intensity
59.01238	2.2
68.19193	0.6
70.14919	1.6
70.15327	1.5
73.43770	0.6
87.00766	2.4
89.48978	0.6
99.57353	0.6
123.04364	1.5
134.62256	0.6
151.03897	1.1
173.02327	1.1
174.99149	2.9
175.03922	0.9
186.06770	2.0
187.03891	5.4
188.04645	1.0
201.05516	3.3
202.06194	3.0
202.88663	2.0
215.03430	10.4
216.03854	0.7
217.05020	2.5
229.04913	1.6
230.05788	32.6
231.06116	2.8
232.03873	0.8
234.05273	0.9
244.03723	2.5
245.04312	2.9
245.08150	100.0
246.05923	1.0
246.08456	8.8
246.14967	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01734	2.1
62.01239	0.9
68.01267	1.4
70.02838	3.9
70.44854	2.9
71.01241	1.9
71.02370	1.4
72.00780	22.0
72.99177	4.9
73.02822	7.0
80.04930	8.9
81.02056	1.3
82.02851	15.9
82.06493	9.9
83.01260	1.7
86.02336	1.3
87.00757	1.3
92.21996	0.9
98.02338	5.9
99.00757	6.9
99.05502	3.7
100.03928	10.2
108.04425	8.4
109.05241	5.8
110.06004	14.1
115.05026	2.8
116.03417	1.8
121.05352	0.9
122.05986	2.6
125.07121	2.3
126.01831	2.0
135.06755	1.4
136.07603	4.5
138.09113	3.3
139.08644	2.9
140.07040	1.6
143.04521	4.1
144.02925	66.2
145.03232	1.2
148.07585	7.1
152.07088	10.6
153.10204	2.0
154.08644	4.9
155.08127	4.3
165.06569	2.1
165.10271	5.8
166.08655	5.3
169.09731	4.1
171.11330	8.8
181.09903	1.1
182.08206	5.3
183.11308	4.2
192.06601	1.8
197.09254	13.1
199.10782	9.2
209.09193	2.0
210.07640	2.4
215.10327	4.9
227.10318	100.0
228.10619	5.8
245.11406	27.3
246.11674	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	243.1233
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
53.86900	0.5
59.01237	1.4
65.01327	0.7
69.38897	3.3
69.39301	1.7
70.65212	0.5
71.01281	0.6
71.04884	2.6
82.02866	1.1
83.04878	1.6
92.19910	0.5
97.02829	3.4
97.06483	1.4
99.00759	15.9
109.06496	1.3
110.02358	0.8
110.03620	1.7
123.08058	0.9
125.03540	0.5
125.09618	5.2
128.05890	0.5
135.08043	0.8
136.05125	0.6
142.02626	1.7
144.02904	2.4
155.14278	1.5
163.11159	5.4
181.09790	0.8
181.12247	17.7
182.12585	1.3
197.11754	1.1
199.13329	19.9
200.13652	1.6
207.10191	33.5
208.10590	2.9
225.11263	61.2
226.11578	4.0
243.12343	100.0
244.12656	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	243.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64343	1.1
52.89145	1.2
59.01240	2.4
60.86825	1.1
61.98695	1.2
69.28316	5.0
69.28741	6.4
71.17496	1.2
79.44821	1.1
82.02847	2.1
96.04442	1.4
99.07825	1.1
110.02388	6.6
114.01853	1.3
120.19759	1.1
144.02895	3.2
152.03476	1.3
170.69563	1.2
181.12219	1.8
183.13779	8.3
187.03905	1.8
193.12347	3.8
200.05215	1.4
211.13330	100.0
212.13727	7.6
212.15471	1.6
215.07062	4.6
220.08157	1.2
229.05067	3.6
243.02957	1.4
243.06688	5.9
243.09753	2.5
243.12358	4.0
243.15967	3.7
243.19658	3.1
244.06609	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	243.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68640	0.6
57.03293	1.3
59.01205	2.3
64.76038	0.6
71.01223	1.2
71.04889	4.4
71.42479	1.4
72.00748	1.5
73.02773	0.6
76.18742	0.7
77.63507	0.6
81.03318	0.7
82.02828	1.3
83.04866	2.0
97.02829	5.8
97.06429	2.7
99.00753	25.3
106.04061	0.7
109.06438	2.1
110.02347	1.0
110.03579	2.1
123.08049	1.5
125.09598	7.6
127.11106	1.5
128.03409	0.9
131.03392	1.0
135.08006	1.1
136.05148	1.7
142.02582	2.8
144.02885	3.2
150.05463	0.9
153.12700	0.9
155.14287	2.4
163.11194	10.6
179.10655	1.5
181.12256	28.1
182.12520	1.7
183.12596	0.7
197.11690	1.5
199.11447	1.1
199.13310	21.6
200.13570	1.3
207.10201	50.4
208.10632	3.0
217.07236	0.9
225.11258	97.5
226.11578	7.5
231.44836	0.7
243.12335	100.0
244.12685	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	243.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41676	0.9
57.03307	2.6
59.01250	58.1
65.01318	0.8
69.03321	2.1
71.04887	1.2
72.99182	11.2
82.02863	1.2
85.06466	1.8
107.04808	0.8
107.08539	4.4
110.02338	1.1
121.10142	2.0
125.09603	1.9
128.03448	1.2
139.11151	3.7
143.04979	1.9
144.02908	2.5
155.10663	3.5
165.09138	1.3
173.02290	1.0
181.12178	1.4
183.10179	61.9
184.10541	4.8
198.02922	1.2
199.03854	2.8
201.01878	2.5
201.11253	100.0
202.11548	6.1
203.79695	1.0
207.10251	1.1
219.88957	0.9
225.08878	2.0
225.11261	3.5
243.02957	24.3
243.10214	1.9
243.12323	5.2
243.16008	1.4
244.03323	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	243.1235
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
52.68640	0.6
57.03293	1.3
59.01205	2.3
64.76038	0.6
71.01223	1.2
71.04889	4.4
71.42479	1.4
72.00748	1.5
73.02773	0.6
76.18742	0.7
77.63507	0.6
81.03318	0.7
82.02828	1.3
83.04866	2.0
97.02829	5.8
97.06429	2.7
99.00753	25.3
106.04061	0.7
109.06438	2.1
110.02347	1.0
110.03579	2.1
123.08049	1.5
125.09598	7.6
127.11106	1.5
128.03409	0.9
131.03392	1.0
135.08006	1.1
136.05148	1.7
142.02582	2.8
144.02885	3.2
150.05463	0.9
153.12700	0.9
155.14287	2.4
163.11194	10.6
179.10655	1.5
181.12256	28.1
182.12520	1.7
183.12596	0.7
197.11690	1.5
199.11447	1.1
199.13310	21.6
200.13570	1.3
207.10201	50.4
208.10632	3.0
217.07236	0.9
225.11258	97.5
226.11578	7.5
231.44836	0.7
243.12335	100.0
244.12685	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	243.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14635	2.1
66.03350	2.5
68.04916	10.8
70.02839	7.1
70.09106	4.7
70.09508	4.0
71.01252	2.7
72.00773	27.8
72.99197	8.4
73.02828	8.4
80.04912	5.1
82.02854	15.0
82.06490	5.7
94.02866	3.5
97.03957	2.8
98.02355	7.7
98.06001	4.0
99.00738	13.4
100.03908	17.7
107.03662	8.8
108.04439	5.1
116.03441	4.3
120.04400	2.5
122.06024	3.3
126.01929	2.3
134.06036	2.3
144.02919	100.0
145.03227	3.6
150.05482	18.9
151.08669	2.1
152.07071	4.3
162.05383	1.9
163.08749	4.1
164.07101	5.3
167.08154	6.6
178.07573	2.3
195.07695	16.7
197.09384	2.7
213.08766	6.5
225.08720	36.5
227.04332	2.2
243.09837	8.4
253.07991	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	243.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
64.26415	1.6
70.02834	6.6
70.38905	7.3
72.00775	59.0
73.02809	3.5
80.04923	4.4
82.02847	6.5
82.06495	3.4
86.02357	2.6
91.27637	2.1
95.07604	1.9
96.00792	1.8
96.04391	3.2
98.02348	7.9
98.06008	4.6
99.00758	5.8
100.03927	6.7
108.04457	1.9
108.08034	3.1
113.03439	3.1
124.07510	2.4
126.05508	3.2
128.03419	12.4
136.03955	9.0
136.07549	3.0
138.05498	8.9
140.07047	9.8
144.02921	80.1
145.03220	2.9
151.08682	4.2
152.07071	22.8
153.06514	4.8
154.08554	2.2
156.06581	5.7
163.08673	5.0
164.07071	24.2
169.09795	5.4
180.06577	6.9
181.09737	27.8
182.08139	5.0
197.09253	13.7
199.10838	4.2
208.06084	16.8
216.44551	1.8
225.08755	100.0
226.07094	7.5
226.09135	7.1
243.09831	63.9
244.10165	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	243.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	2.5
57.10776	0.8
66.03363	3.3
68.01273	1.7
68.04917	5.0
69.37278	7.2
69.37580	1.0
70.02845	6.9
71.01281	1.7
72.00774	22.6
72.04429	1.1
72.99174	5.5
73.02815	5.8
76.17062	0.7
79.72749	0.8
80.04933	3.8
82.02856	14.3
82.06499	5.4
83.01243	1.4
84.04411	1.9
87.00767	1.8
92.04957	1.2
94.02870	1.2
96.04422	3.1
97.03963	1.7
97.04790	0.9
98.02356	11.3
98.05994	8.7
99.00747	9.1
99.04398	1.5
99.05514	1.3
100.03911	11.3
102.10195	0.8
107.03632	5.9
107.63289	1.0
108.04448	4.3
108.08064	1.5
109.04025	0.9
109.45728	0.9
116.03432	3.3
116.07056	1.6
122.06072	1.0
123.05533	1.7
126.01824	1.7
127.04997	2.7
128.03421	16.0
134.05983	1.2
136.07555	2.5
137.07083	1.9
138.05403	1.0
144.02921	100.0
145.03246	3.7
145.06067	6.2
146.05995	2.1
146.34685	0.8
150.05515	12.1
151.08661	2.3
152.07050	5.4
153.06659	1.2
163.08656	4.7
164.07101	5.0
167.08192	5.5
169.09737	1.0
180.06531	2.6
181.09756	3.9
190.49840	0.9
195.07674	20.3
196.08029	1.8
197.09222	2.4
207.07657	1.7
208.06102	1.6
213.08733	10.6
225.08745	73.1
226.07152	1.4
226.09120	4.8
243.09811	20.2
244.10191	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	241.1442
Annotation	A Factor
Peak:m/z	Relative Intensity
54.37077	0.5
57.03318	1.0
59.01246	1.6
61.98697	0.5
71.04891	0.7
71.49915	0.9
72.99197	0.9
83.02392	0.8
93.41898	0.5
96.04430	1.7
97.06454	0.8
131.28058	0.5
144.02870	1.0
164.09373	0.5
167.10815	0.5
179.14340	26.5
180.14680	2.3
195.13744	0.9
197.15405	100.0
198.15730	7.7
211.05888	0.6
223.13310	3.5
225.05530	1.3
225.14867	0.7
226.06404	0.6
226.46188	0.6
241.04823	0.7
241.08546	2.2
241.14417	29.7
241.18121	2.1
241.21523	2.5
242.14792	3.0
242.17615	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1805
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
51.28430	0.3
59.01244	1.1
61.98733	0.5
66.83517	0.3
70.16237	1.5
72.99161	0.6
79.02177	0.4
79.29112	0.3
79.63349	0.4
83.02367	0.4
96.04395	0.6
104.23005	0.3
112.63135	0.3
144.02919	0.6
184.00128	2.2
193.15932	0.7
197.15440	0.7
211.16978	18.3
212.17241	1.9
223.16982	13.7
224.17354	1.1
239.16315	0.5
241.07162	1.1
241.18044	100.0
242.18411	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	241.1079
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
50.38159	0.5
51.39845	0.4
52.15583	0.4
55.01751	1.1
56.08289	0.4
57.03329	1.4
59.01252	1.5
64.16955	0.5
65.01303	0.5
69.03339	3.7
71.01261	0.6
71.04893	4.8
71.58186	0.8
73.21397	0.4
81.03345	0.7
81.39513	0.4
82.02879	0.7
83.04897	0.7
95.04927	0.7
96.04427	1.6
96.48421	0.5
97.06464	0.6
98.02361	0.6
106.04011	0.6
123.08025	0.7
125.09631	2.6
128.76392	0.5
137.09674	0.9
144.02945	0.8
151.11249	1.2
153.12732	3.1
156.41457	0.5
161.09641	1.8
173.04578	0.6
179.10719	7.1
187.06255	1.1
197.11772	100.0
198.12082	7.5
214.07350	1.1
223.09770	3.1
241.10782	71.8
241.14630	2.0
241.21602	2.3
242.11105	6.2
242.17584	0.6
247.49782	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67373	2.7
62.33673	3.1
66.03373	4.3
70.02840	3.3
70.88111	7.0
71.01254	4.5
72.00784	9.1
72.99174	36.3
78.95766	35.6
82.02854	19.4
84.04443	4.1
85.02802	6.5
87.00735	3.4
94.02842	13.2
96.04424	100.0
96.96847	8.8
97.02766	3.3
98.02348	18.0
99.00742	6.6
100.03921	5.8
100.92833	2.8
106.06496	3.7
108.04401	4.1
115.04983	3.8
116.03388	4.7
122.06045	3.9
124.03986	4.4
128.03452	16.6
136.03952	9.1
136.07581	3.8
143.04478	3.7
144.02910	27.6
149.07079	3.2
150.05467	4.2
153.06570	4.3
167.08264	3.8
179.08186	5.3
191.94125	3.0
224.05630	5.7
241.01190	20.3
241.08260	23.1
242.08630	2.9
258.19464	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	241.0867
Annotation	RESVERATROL 4'-METHYL ETHER
Peak:m/z	Relative Intensity
57.28195	0.3
59.01205	1.1
71.13306	1.0
72.99136	0.5
83.02347	0.4
88.10616	0.4
92.20746	0.4
97.88995	0.4
105.06971	0.3
105.17098	0.4
143.04889	0.9
156.05685	1.4
157.06297	0.4
167.04970	0.4
169.06500	2.6
171.04361	0.9
172.05083	0.6
180.05750	2.0
181.06503	12.5
182.07172	3.4
183.04436	5.0
183.39571	0.4
184.05209	4.2
197.04170	0.6
197.05998	11.8
197.09714	0.5
198.06749	6.8
199.07550	2.9
208.05223	0.4
209.06015	1.4
225.05511	97.7
226.06189	29.8
227.06705	2.2
227.08849	0.4
241.08661	100.0
241.21671	1.0
242.08984	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	241.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04123	1.7
57.03307	2.3
59.46672	1.9
66.03365	3.6
68.87088	1.8
69.03316	3.2
70.02836	4.1
71.01259	3.5
71.02367	2.1
71.05218	4.1
72.00787	11.3
72.99178	36.0
76.04590	1.8
78.95748	4.3
82.02856	31.9
83.01248	4.7
83.04926	2.6
84.04430	5.7
85.02821	5.7
87.00751	4.3
94.02866	10.2
96.00741	1.9
96.04421	100.0
97.02837	4.9
97.03981	2.9
97.04724	2.2
98.02346	15.0
98.05977	2.4
99.00745	6.3
100.03922	8.0
107.04900	3.0
108.04433	4.8
109.03931	1.9
112.03926	3.3
113.03464	2.0
115.05000	2.7
116.03412	5.1
122.02354	2.4
122.06001	5.9
123.05569	2.0
124.03922	6.1
126.01871	4.1
126.99524	1.7
128.03412	21.6
134.06023	2.9
135.05521	2.9
136.03925	9.2
136.07600	3.0
137.05986	3.2
138.05496	3.9
143.04494	4.0
144.02902	31.2
149.07101	2.1
150.05502	9.5
151.05060	1.8
151.08672	2.5
152.07021	3.0
153.06572	5.8
162.05438	4.6
166.04959	2.5
167.08163	2.5
171.04080	2.6
179.04581	2.3
179.08206	9.0
180.06602	5.0
195.07730	2.3
198.07628	1.8
241.01138	3.7
241.08247	31.9
241.14497	2.2
241.18010	3.9
241.21724	6.0
242.06587	18.7
242.08571	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	239.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01289	0.3
55.54388	0.2
58.57175	0.2
59.01248	5.7
59.96578	0.7
70.58514	0.8
74.98943	9.2
75.96100	0.2
86.11456	0.2
87.00733	1.1
91.02080	12.0
92.02026	0.3
92.47987	0.2
93.00007	8.3
93.00599	0.5
99.00748	0.4
117.01840	0.3
149.00836	5.1
150.98767	0.3
161.04527	1.2
162.66426	0.2
179.05521	4.7
180.05569	0.3
206.99648	2.9
207.99736	0.3
223.02777	100.0
224.02835	11.3
225.00594	0.2
239.05873	0.7
239.12918	0.3
241.03867	2.6
242.04178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1284
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
50.92841	0.5
55.56561	0.5
57.24409	0.5
59.01248	3.1
66.76320	0.5
68.51604	0.5
70.81693	1.5
87.00732	0.6
95.04876	1.2
101.05952	9.4
109.06477	5.5
111.08043	4.5
125.09637	1.1
128.84343	0.5
138.06766	1.7
139.03903	15.8
140.04243	0.6
151.11163	0.9
154.06255	33.0
155.06602	1.5
160.60541	0.6
161.04395	0.7
167.14323	9.1
179.05501	1.2
179.10693	5.5
182.05760	3.0
195.13834	100.0
196.14172	7.7
239.12827	5.3
239.16534	0.6
253.64975	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0116
Annotation	6-Deoxy-5-ketofructose 1-phosphate
Peak:m/z	Relative Intensity
70.91270	0.7
70.91624	0.9
71.01234	0.5
78.95774	100.0
87.00738	0.9
96.00773	0.8
96.96838	31.4
102.22791	0.4
104.03872	0.4
125.02317	0.5
209.31151	0.4
223.00049	1.3
241.01138	58.3
241.21770	0.6
242.01442	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1493
Annotation	Oxyphyllenodiol B
Peak:m/z	Relative Intensity
57.03304	0.9
59.01249	25.5
60.01595	1.0
61.98695	1.8
63.58843	0.6
69.03309	2.1
69.59750	4.9
71.01244	1.8
71.04892	21.0
78.95791	2.9
83.04891	0.8
83.77770	0.6
85.02847	0.9
96.95902	0.9
97.06469	9.9
101.02317	2.1
111.08033	0.9
113.02332	1.0
116.36208	0.6
116.92747	1.6
118.68855	0.6
118.69803	0.6
121.10117	0.9
123.08039	1.3
127.07549	0.7
135.08023	0.7
139.07478	0.8
139.11192	0.9
153.09135	3.2
163.11125	0.7
165.09116	2.7
175.14879	1.9
177.12701	1.7
178.95218	0.6
179.10703	2.8
190.09920	0.7
191.14331	1.1
193.08537	0.8
193.15938	7.9
209.15401	29.6
210.15742	2.8
219.13861	20.1
220.14188	1.0
237.14923	100.0
238.11470	0.7
238.15280	10.5
248.84894	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.3
61.98690	0.5
64.97571	0.2
67.89542	0.2
69.27097	1.8
71.04890	0.3
80.27248	0.2
81.47118	0.2
84.90444	0.2
91.49214	0.2
100.58385	0.2
111.04304	0.3
115.59616	0.2
123.04433	0.2
133.24823	0.2
134.03613	0.7
135.04401	0.3
136.05186	0.6
140.51637	0.2
142.37132	0.2
148.05197	8.3
149.05869	0.5
149.09621	1.2
162.06825	0.3
175.07582	0.5
176.08298	0.8
177.09122	42.2
178.09471	2.8
190.09879	1.7
191.10606	0.8
192.11479	32.4
193.11884	2.8
197.16725	0.2
201.09148	0.5
203.07053	0.9
209.15450	0.4
217.08638	3.1
218.09421	8.3
218.11597	0.4
219.09787	0.7
219.14037	0.2
224.10654	0.2
236.10490	100.0
237.10872	9.5
237.14601	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1493
Annotation	Oxyphyllenodiol B
Peak:m/z	Relative Intensity
51.11818	0.3
54.55828	0.4
59.01250	8.8
61.98704	0.9
65.16516	0.3
66.00819	0.4
70.60552	0.8
70.82679	0.4
71.01257	0.6
73.02809	0.4
78.95780	1.6
83.01263	0.4
85.02824	3.5
96.95894	0.4
98.29710	0.3
101.02322	0.6
101.05972	0.5
109.02850	1.1
116.92749	0.7
121.02818	0.5
122.03621	17.0
127.07540	0.4
135.01750	0.4
149.05913	0.5
151.07562	0.8
163.07510	2.1
164.08365	1.8
165.09148	1.7
178.09924	9.2
179.10690	100.0
180.07837	6.4
180.11055	7.6
181.08185	0.5
193.08626	5.2
219.13806	2.1
237.14909	54.0
238.15237	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	236.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24036	0.5
54.60140	0.4
57.97431	0.5
59.01242	0.9
59.98980	0.6
63.96110	87.0
69.29494	4.4
79.95605	100.0
82.72803	0.5
100.07578	0.6
116.05283	32.6
117.05637	0.8
126.12775	8.1
135.97276	0.6
155.68022	0.5
170.11804	1.8
172.13353	10.6
188.11087	17.6
189.11398	1.6
226.50049	0.6
234.69537	0.5
236.09581	60.8
237.07722	1.2
237.09877	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	233.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16402	3.6
59.01250	56.0
59.39713	3.8
71.01251	10.9
71.56435	4.9
71.56815	3.8
72.56246	3.1
73.02818	3.8
80.59534	3.2
87.00742	4.3
93.03313	6.7
96.95876	6.9
97.44965	3.1
99.00751	6.1
111.00799	6.8
115.07630	3.5
117.05452	11.1
122.67716	3.2
160.56422	4.0
168.32260	3.8
173.04443	11.8
192.82849	3.9
233.04584	6.5
233.10191	9.5
233.15408	100.0
234.15782	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	12.6
59.96602	0.6
60.97375	0.6
64.54219	0.3
66.82439	0.2
70.45142	1.0
74.98937	6.6
91.02068	1.3
92.99994	4.7
95.10276	0.3
118.96205	0.8
134.99289	7.4
135.99272	0.6
136.97211	2.6
141.07291	0.5
149.00858	71.6
150.00822	5.3
150.98776	1.0
152.96782	0.4
159.08366	2.0
160.08667	0.3
161.06311	4.3
188.98470	0.8
201.04013	0.5
215.05620	1.5
217.07149	100.0
218.07326	10.8
232.97470	0.8
233.10289	91.7
234.10440	11.2
235.08354	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1542
Annotation	Confertifoline
Peak:m/z	Relative Intensity
51.31837	0.1
59.01249	2.1
60.53733	0.1
88.11631	0.1
139.34221	0.1
158.51079	0.2
196.91055	0.1
217.12199	0.7
233.15413	100.0
234.15755	11.6
250.12100	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.7
59.51686	0.5
63.96109	100.0
64.96040	0.9
69.24413	0.5
69.24812	5.1
70.75204	0.5
75.67989	0.5
79.95603	78.8
86.09632	0.5
100.07534	1.0
116.05279	36.8
117.05577	1.6
124.11208	0.6
126.12771	6.4
133.06488	0.7
160.11540	0.5
170.11737	1.8
172.13350	8.7
173.13774	0.6
188.11060	22.2
188.12759	1.1
189.11357	1.4
194.18948	0.5
195.06709	0.8
220.73798	0.6
228.59814	0.6
236.09567	55.1
237.07573	1.2
237.09819	3.1
237.14903	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1346
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
50.88467	2.0
53.57726	1.9
55.01754	11.5
58.00581	1.8
70.70107	4.6
71.01250	5.1
72.00783	6.1
72.04414	5.4
72.04796	2.2
76.76970	1.9
82.02854	47.1
82.03324	3.9
83.01261	3.2
99.00744	12.6
114.09096	2.6
118.55009	1.9
132.89018	2.2
140.10719	11.5
141.02603	2.2
141.10239	40.2
142.12279	5.0
144.02913	6.2
167.11827	7.2
168.10211	69.0
169.10509	4.1
169.13361	5.0
185.12881	68.7
186.13164	4.5
195.11308	6.7
213.12379	100.0
214.12694	6.3
231.13466	64.0
232.13779	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	231.1598
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
57.03320	1.3
59.01255	1.4
65.01308	0.2
65.99686	0.2
67.77501	0.1
69.67519	0.2
71.01232	0.3
71.04874	0.2
71.57800	0.4
81.51701	0.2
82.03980	0.2
83.04893	0.5
85.02826	0.2
87.04399	0.4
91.16597	0.1
93.03341	0.4
93.76868	0.2
105.04497	0.2
107.02370	0.2
119.02396	0.2
125.05963	0.5
125.09593	0.3
127.11168	2.7
128.11516	0.3
134.03589	0.4
140.59816	0.2
145.08603	0.8
148.05103	0.3
155.14275	0.7
167.14307	0.4
171.10190	4.5
175.79974	0.2
176.18532	0.2
183.13805	0.4
185.15308	0.4
187.07530	0.2
190.06088	0.2
195.13770	0.7
209.11792	0.2
211.13490	0.2
213.12787	0.4
213.14891	4.5
214.15289	0.3
229.14436	2.8
230.14772	0.3
231.15965	100.0
232.16302	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	229.144
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03322	0.3
57.17082	0.2
59.01251	0.6
69.44906	1.5
71.01254	0.5
71.04868	0.3
83.04919	0.2
87.00768	0.2
89.48094	0.2
106.03945	0.3
128.10144	0.2
129.05460	0.8
148.31067	0.2
165.12784	0.8
167.14319	30.5
168.14655	2.1
170.88182	0.2
183.86784	0.2
185.15414	1.1
201.05617	0.3
202.01482	0.2
211.13330	21.1
212.13725	2.0
229.14398	100.0
230.05746	0.4
230.14743	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	229.144
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
50.11118	0.2
57.03325	1.3
59.01247	0.8
63.08416	0.2
65.01313	0.2
65.99709	0.3
67.01754	0.2
67.23506	0.2
69.03326	0.3
70.09510	0.2
71.01231	0.2
71.04897	0.8
71.58767	0.3
74.18731	0.2
83.04893	0.9
84.02020	0.2
85.02827	0.7
97.06474	0.5
112.79028	0.2
123.08066	0.3
125.09615	2.4
126.54328	0.2
127.11177	5.6
132.05574	0.2
139.11205	0.6
147.05646	0.2
153.12767	0.6
155.10689	5.4
155.14323	1.4
163.11153	0.5
165.12773	0.8
167.14320	1.9
171.10188	3.6
172.10497	0.2
179.68504	0.2
181.12270	3.2
183.10193	0.8
183.13828	1.1
185.11829	0.4
193.12286	1.6
197.11693	0.3
199.13327	7.4
200.13661	0.7
201.11220	1.6
209.11772	3.1
210.12318	0.4
211.13342	12.8
212.13712	0.8
227.12769	0.3
229.14406	100.0
230.14752	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	229.1441
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
56.80304	0.2
57.01973	0.2
57.03119	0.2
57.03327	1.6
59.01248	0.3
65.01312	0.2
69.52110	1.5
71.01236	0.2
71.04884	0.5
82.02851	0.2
83.02373	0.2
83.04890	0.7
84.02047	0.6
85.02814	1.0
89.65591	0.2
90.15404	0.2
94.74577	0.2
97.06461	0.4
106.04047	0.3
125.09621	2.7
126.09952	0.2
127.11172	4.5
132.05499	0.3
149.03413	0.2
153.12729	0.3
155.14328	2.3
165.12749	1.1
167.14304	1.8
168.14732	0.3
171.10190	4.6
172.10385	0.3
183.13843	1.6
185.11751	2.8
193.12328	0.4
201.14934	0.3
209.11758	3.5
210.12190	0.3
211.13342	14.1
212.13730	1.1
227.12660	0.2
229.14406	100.0
230.14757	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	229.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.2
57.70560	2.0
64.12691	2.0
70.02832	2.4
70.54900	1.9
70.64144	1.9
70.68653	1.9
70.70323	6.6
71.01262	3.7
72.00774	13.8
72.04429	2.4
73.02811	4.0
82.02850	48.4
82.03313	3.3
98.02344	2.5
99.00768	8.4
100.03919	8.5
114.44705	2.0
122.05959	2.5
128.03433	2.8
138.09140	5.7
139.08702	16.3
144.02917	25.9
155.48305	2.2
165.10237	4.8
166.08633	28.3
167.11812	8.5
183.11295	19.7
184.11473	2.4
211.10818	100.0
212.11110	9.4
229.11856	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.144
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03325	0.4
59.01253	2.7
69.03327	0.4
71.01212	0.4
81.03329	0.8
82.02847	0.4
83.04884	0.6
97.06490	0.4
106.04053	0.4
111.08044	3.2
113.09592	1.2
135.86888	0.4
139.07515	0.6
157.08606	36.0
158.08905	2.4
159.58252	0.4
160.05099	0.5
163.11186	1.9
167.14328	1.9
181.12260	33.7
182.12567	2.8
193.12268	4.1
197.11761	0.4
199.13330	24.4
200.13690	1.7
209.11873	0.3
211.13329	46.2
212.13698	3.2
229.14403	100.0
230.14752	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	227.1648
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
57.03300	0.7
57.28058	0.5
59.01239	1.7
61.67286	0.5
68.99677	0.7
70.89446	1.3
77.64297	0.6
99.00776	0.5
99.92462	1.2
100.04095	0.5
106.52094	0.7
139.11197	0.6
143.04953	0.7
160.10780	0.6
165.12758	2.6
183.12315	1.1
183.13795	9.1
184.00140	1.1
184.14171	0.7
185.89122	0.9
197.15393	11.6
198.15672	0.9
199.13336	0.7
209.11845	4.8
209.15390	12.9
210.12006	0.6
210.15846	1.0
227.05302	1.1
227.07091	2.2
227.12811	5.2
227.16461	100.0
227.19753	8.9
228.13342	1.0
228.16791	8.8
228.20370	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.9
59.01241	1.3
61.56728	0.4
65.01310	1.4
65.99715	0.8
68.01279	0.4
69.03326	0.5
71.04879	1.0
71.12243	1.0
71.12584	0.4
83.04885	1.9
95.04881	0.5
97.06447	1.8
105.04445	0.6
108.10307	0.4
109.06410	0.5
111.08051	3.7
139.11118	0.6
142.03987	0.6
163.11238	1.2
165.12758	26.5
166.13062	2.0
181.12328	0.7
183.13824	38.6
184.14182	2.3
185.08221	0.5
185.89252	0.5
199.13312	1.1
201.07785	0.8
209.11777	14.0
210.12080	1.4
227.12831	100.0
227.16504	3.0
227.20093	4.4
228.08813	0.9
228.13177	8.4
228.15631	0.8
237.62157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
55.01753	0.3
57.03311	0.5
60.25957	0.2
70.96673	0.5
71.04858	0.5
80.02532	1.9
81.03323	2.1
83.01248	0.3
83.04895	8.0
84.02036	4.1
90.48963	0.3
93.03362	0.3
95.04903	1.3
97.06446	0.6
107.47791	0.3
109.06490	0.4
112.30413	0.3
125.05959	1.0
125.09579	0.3
135.04170	0.3
135.08022	1.5
147.11720	0.5
153.12799	0.3
156.26202	0.3
163.11188	6.1
164.11465	0.5
165.12769	3.7
166.13101	0.5
181.12292	0.8
183.13841	0.6
191.10719	1.9
199.13263	0.5
209.11763	100.0
210.12099	8.6
220.38930	0.3
227.12881	2.9
227.20099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
56.84718	0.4
57.03333	0.5
58.00469	0.5
59.01235	1.3
60.07941	0.4
65.01308	0.8
65.99694	0.6
68.96539	0.4
68.97723	0.3
69.03303	0.7
71.04896	0.9
71.57969	0.3
80.02547	2.5
81.03326	1.9
82.02843	0.4
83.04889	7.2
84.02033	3.5
91.02893	0.4
95.04893	0.9
97.06470	0.5
106.04002	0.5
109.06485	0.6
120.05634	0.5
125.06021	0.4
133.39987	0.4
135.08051	0.9
139.11082	0.6
157.05083	0.5
163.11194	5.7
165.12747	3.9
166.13145	0.5
170.04517	0.4
173.77997	0.4
181.12219	1.2
183.13852	0.8
185.06003	0.5
191.10670	1.5
199.13329	2.3
201.07761	0.5
209.11763	100.0
210.12103	8.7
227.12860	6.5
227.16508	1.2
227.20131	2.7
228.09096	0.4
228.13162	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1032
Annotation	Pro-Hyp zwitterion
Peak:m/z	Relative Intensity
57.03293	0.6
69.77073	3.7
70.02849	0.8
71.04922	0.6
72.00780	1.9
74.02342	6.8
80.04940	2.4
82.02856	18.7
82.06493	4.6
84.04429	4.5
85.02837	1.7
86.02350	3.3
88.20885	0.5
92.85563	0.6
96.04428	1.7
97.06508	0.6
98.02393	0.5
98.05985	8.9
98.20462	0.7
100.07552	7.1
105.84503	0.6
108.04443	0.7
110.02341	0.7
110.06040	0.6
112.03934	1.6
112.07565	2.4
122.09646	2.2
124.07584	1.4
125.07123	1.2
127.05032	7.1
128.03427	100.0
129.03792	4.0
136.07544	0.6
139.08719	0.7
144.02887	0.9
148.07608	0.9
152.07106	1.9
155.11819	3.3
163.08681	1.9
165.10265	6.3
181.09724	5.9
183.07764	1.0
183.11288	2.0
191.08185	1.0
198.99748	0.6
199.10907	0.8
209.09262	7.2
227.10333	36.6
227.20151	1.5
228.10663	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	227.1033
Annotation	(S)-ATPA
Peak:m/z	Relative Intensity
69.65447	2.0
69.65857	4.1
70.02858	2.0
71.01241	2.2
72.00778	10.3
73.02833	3.7
80.04919	3.0
82.02855	15.8
82.06489	47.3
83.03236	1.1
83.06872	1.2
96.85135	1.1
98.02355	1.4
98.20445	2.3
99.00755	5.4
100.03941	4.5
108.04436	1.4
136.07570	7.1
137.02371	2.2
137.07079	5.6
138.05553	1.2
144.02925	35.0
164.07057	26.8
164.08342	1.9
165.07414	1.5
165.10237	3.2
166.08612	1.5
181.09738	14.6
182.10083	1.2
183.13831	1.4
209.09256	100.0
210.09599	7.3
212.07005	1.4
227.10326	8.0
227.12552	2.0
227.16551	2.0
227.20164	4.7
249.79161	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
52.64384	0.1
57.03323	0.5
59.01242	0.2
67.48437	0.2
69.03315	0.2
71.35693	0.3
77.72721	0.2
78.31672	0.2
81.98615	0.2
86.66171	0.2
95.75252	0.1
111.08048	1.2
120.40791	0.2
165.12758	18.6
166.13086	1.5
181.12286	0.2
183.13823	100.0
184.14172	8.9
184.15883	0.3
191.10783	0.3
209.11766	1.6
227.12839	16.8
227.20122	0.3
228.13168	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	227.1284
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
51.99787	0.8
57.03308	1.5
58.00465	7.0
59.01245	1.4
67.13350	0.8
69.29821	0.8
71.01241	1.1
71.04892	1.0
71.58231	1.3
73.02838	1.3
75.53661	0.8
83.04901	2.0
84.02060	0.9
97.06452	1.5
99.00778	1.2
99.92428	1.4
111.08013	1.2
111.49155	0.9
139.11217	1.3
142.20435	1.0
145.78285	0.9
153.12735	2.0
155.14368	2.7
163.11206	2.0
165.12729	7.2
169.12233	1.8
171.13812	3.4
181.12305	4.2
183.13818	21.0
184.14148	1.9
185.06068	0.9
185.89279	1.4
191.10695	2.1
199.13321	51.3
200.13658	3.5
208.93396	1.1
209.11745	13.7
209.15363	1.2
210.12105	1.4
227.03423	1.5
227.07323	4.9
227.12836	100.0
227.16159	9.6
227.20023	11.6
228.13181	7.3
229.83759	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.9959
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89213	3.1
57.03308	11.6
59.01247	6.9
59.26608	3.8
63.97735	3.3
68.99671	5.2
69.43260	7.3
69.43667	26.7
71.01263	33.1
73.02760	4.6
83.01279	9.5
85.02811	17.3
87.00765	5.9
96.04410	5.0
97.06458	5.4
98.54704	3.6
99.00755	21.1
111.00756	37.1
112.98688	100.0
115.00227	4.8
127.05004	5.6
128.03429	11.0
129.01831	27.4
139.07512	11.5
142.99750	7.1
144.29375	4.1
167.07133	8.2
173.00851	27.4
183.11406	4.7
183.13805	5.8
191.01831	5.6
226.99614	7.5
227.10475	8.4
227.12823	9.4
227.16415	7.4
227.20114	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	227.0709
Annotation	cis-Resveratrol
Peak:m/z	Relative Intensity
59.01245	0.9
65.01299	1.1
65.99712	0.5
66.84502	0.4
71.58640	0.7
83.04863	0.4
92.49368	0.4
95.04890	0.5
106.03987	0.6
107.04916	0.4
113.42021	0.4
117.03345	1.8
118.03967	0.5
119.01246	0.5
119.04919	1.8
120.01939	0.4
130.04048	0.6
132.05537	0.7
139.11179	0.5
141.06987	2.4
142.04030	0.4
143.04922	24.0
144.05301	1.3
145.02878	0.8
145.04079	0.4
156.05698	0.8
157.05296	0.6
157.06511	3.4
159.06747	0.6
159.08061	5.3
165.12749	0.8
167.04997	0.6
168.05748	0.6
169.12273	0.7
174.06650	0.5
181.06485	2.1
182.07281	2.6
183.04448	1.2
183.08066	6.5
183.13776	1.9
184.05222	4.8
184.08426	0.5
185.05998	23.5
186.06383	2.3
199.13339	1.3
200.05795	0.5
201.07629	0.6
209.11775	5.4
212.04713	9.2
213.04973	0.5
227.07085	100.0
227.12866	4.0
227.16454	1.8
227.20038	3.5
228.07397	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	225.1127
Annotation	Chloriolide
Peak:m/z	Relative Intensity
59.01250	3.4
60.49097	0.5
65.12909	0.4
66.20026	0.4
69.03327	0.5
69.30097	5.4
71.04902	0.7
72.82331	0.5
81.03328	0.7
83.04903	0.7
90.18024	0.5
93.03323	0.5
97.02830	10.1
97.06448	0.5
97.94220	0.4
98.03151	0.7
99.00753	3.9
109.06478	3.0
110.03594	3.6
111.04434	0.7
112.50743	0.5
117.26345	0.4
121.06469	0.4
123.04396	0.6
125.09608	1.8
135.08028	2.4
136.05220	2.7
137.02371	0.5
142.02617	5.2
152.08293	0.5
153.12749	0.5
153.82352	0.5
154.13045	0.4
155.32047	0.5
156.05566	0.7
157.05115	0.5
161.09604	0.7
163.11195	11.8
164.11507	0.7
179.10707	0.7
181.12250	32.6
182.12659	2.9
183.10249	0.6
189.09116	0.6
197.11925	1.0
199.06259	0.7
207.10196	75.7
208.10545	6.6
225.11264	100.0
226.09303	0.4
226.11591	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	225.1491
Annotation	Annuionone E
Peak:m/z	Relative Intensity
57.03321	1.4
59.01257	9.3
60.75717	1.0
68.99693	1.9
71.01253	1.9
71.57851	0.8
71.58340	1.4
73.85461	1.1
77.38711	0.9
81.03339	0.9
82.02876	2.2
83.04882	1.6
85.02822	1.5
95.04993	0.9
96.04427	3.1
96.95891	1.3
98.02342	1.5
98.06025	1.4
99.00773	1.1
101.02335	2.0
109.02782	1.4
121.02843	3.4
121.92169	3.6
123.08029	1.1
124.03979	1.1
126.90437	1.3
129.01855	1.8
136.03951	1.1
137.02338	1.5
145.21040	1.0
151.03864	1.0
152.08350	3.1
156.05566	1.1
163.07629	1.2
164.44337	0.9
165.01776	1.4
165.05431	6.4
165.91104	1.2
167.03490	0.9
171.25726	1.0
180.04097	1.5
180.06635	1.4
181.12245	2.9
183.92326	3.0
195.02960	2.4
195.13866	8.4
197.15358	3.5
198.07790	1.2
199.06215	1.6
207.10251	2.4
207.13812	18.8
208.14224	2.4
210.05243	2.0
219.43678	1.0
225.05536	1.7
225.07637	5.2
225.11684	6.1
225.14899	100.0
226.15280	9.0
226.17294	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	225.0763
Annotation	Ampelopyrone
Peak:m/z	Relative Intensity
50.79543	0.5
59.01247	25.4
61.38552	0.5
65.01335	0.8
65.99748	0.5
69.53937	3.6
71.01267	0.5
81.63138	0.5
82.02875	1.0
85.02841	0.9
93.03351	1.3
96.04470	0.6
97.02853	0.7
98.20546	1.0
100.07405	0.5
101.02334	0.6
107.44727	0.4
108.02089	0.5
109.02826	3.2
109.06487	1.0
111.04391	0.6
121.02839	34.3
122.03701	3.9
123.04416	0.8
124.01527	0.7
129.01782	0.5
135.08151	0.5
137.02332	1.4
137.06026	1.4
145.06516	1.7
152.08366	0.6
153.09058	0.5
154.02652	0.9
156.05589	0.7
163.07565	9.3
163.11263	0.9
164.08002	0.9
165.05481	100.0
166.05835	6.8
180.04182	0.6
181.12268	1.1
185.07059	0.5
195.02838	1.1
198.07832	1.0
199.06288	0.7
207.10292	2.6
210.05162	1.0
225.07605	36.6
225.11269	4.6
225.14850	4.1
225.18411	0.5
226.07991	3.3
226.11726	0.7
227.24289	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0875
Annotation	Porphobilinogen
Peak:m/z	Relative Intensity
50.73932	1.5
66.03339	3.4
68.01264	1.6
68.04919	3.5
70.02835	6.1
70.98499	3.7
71.01239	4.4
71.45568	1.6
72.00774	22.2
72.99175	17.4
80.04918	5.9
81.03300	2.0
82.02848	23.4
82.06479	5.6
92.04893	2.7
94.02843	3.0
95.02467	1.8
96.00806	1.5
96.04414	9.7
97.03948	2.5
98.02349	20.5
98.06025	7.1
99.00751	5.3
99.05513	2.3
100.03912	3.7
104.59048	1.5
107.03645	24.6
107.04855	1.9
108.04448	14.8
115.04977	2.3
116.03393	2.6
118.06522	1.9
119.04914	2.9
120.04388	3.2
120.08047	2.3
122.05959	2.9
126.01888	7.7
128.03413	3.5
134.05974	5.8
135.05486	1.5
136.03931	10.8
136.07571	2.7
137.03452	4.8
137.07101	4.4
144.02924	33.1
146.06029	3.4
150.05518	22.4
151.05807	2.1
151.08617	3.6
152.07088	7.5
153.06580	9.7
156.02303	1.7
162.05515	2.3
163.08669	7.2
164.07080	9.2
175.07516	1.5
179.08220	3.1
180.06546	13.3
181.09720	3.8
182.08115	4.1
192.20375	1.5
193.29178	1.7
197.09244	14.8
225.08743	100.0
226.07059	2.3
226.09016	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	224.1287
Annotation	N-Methylmescaline
Peak:m/z	Relative Intensity
51.68168	2.2
56.90998	1.9
59.01242	8.0
61.13511	1.9
70.45953	5.5
76.00835	1.8
80.04929	5.1
94.02849	2.6
96.04379	1.8
110.05972	5.1
114.64362	2.1
120.90793	1.8
121.02814	2.3
124.03915	3.6
137.02353	2.9
152.08308	2.1
165.05444	7.7
181.12276	4.5
184.24693	1.7
205.06114	2.2
207.10225	3.9
224.05656	2.4
224.12852	100.0
225.07466	2.7
225.09229	2.2
225.11218	5.8
225.13185	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	223.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01417	0.3
56.13516	0.2
65.00202	0.7
69.28855	0.6
69.29270	2.4
73.68067	0.3
89.03831	1.4
91.05411	1.3
93.03331	2.0
104.02526	0.4
105.03412	0.3
115.98934	0.3
117.03349	1.9
117.04094	0.3
119.04894	1.4
121.02843	32.4
122.03177	1.5
132.02046	2.4
134.15717	0.3
135.04434	1.0
137.02280	0.4
146.57555	0.3
147.04410	6.5
148.04858	0.4
149.02342	100.0
149.50468	0.2
150.02682	6.1
152.01036	0.7
163.03914	1.2
164.04698	62.2
165.01837	0.4
165.05013	4.2
165.06288	0.5
179.07037	3.5
193.01308	1.8
194.95734	0.3
208.03743	2.4
223.06065	19.1
224.06302	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	223.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
60.70213	0.2
64.12655	0.1
65.00185	0.6
71.45154	0.3
89.03827	1.5
91.05408	0.9
92.05731	0.1
93.03336	1.9
94.03596	0.1
98.87801	0.2
98.88962	0.2
104.02543	0.5
112.14609	0.2
117.03334	1.6
118.03651	0.1
119.04887	1.3
121.02837	30.4
122.03156	1.4
125.43360	0.2
132.02065	2.3
133.14760	0.1
135.04427	1.2
145.02869	0.2
147.04417	6.7
148.04742	0.4
149.02341	100.0
150.02684	6.0
152.01074	0.7
163.03923	1.4
164.04698	57.8
165.01857	0.5
165.05019	4.1
167.03236	0.2
169.04959	0.4
172.55634	0.1
172.92253	0.2
179.07048	3.1
180.07355	0.2
193.01344	2.2
208.03732	3.3
209.04146	0.2
223.06064	18.5
224.06412	1.3
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
57.03305	1.8
58.31833	0.5
59.01249	9.2
61.98694	0.7
66.53513	0.5
69.03326	7.9
71.01244	1.2
71.04892	2.0
73.02807	0.6
81.03312	0.7
83.04919	1.0
85.02831	0.9
85.06459	1.2
92.99995	0.8
93.03336	1.1
95.04881	1.1
97.06463	0.8
101.02322	1.3
104.53532	0.6
109.02874	0.6
109.06440	1.3
111.08073	0.7
113.02303	0.7
121.02840	1.4
123.90039	0.6
125.09596	1.0
135.11694	1.0
137.02354	0.7
141.01619	1.0
141.09096	0.8
149.00911	0.9
149.02316	1.1
149.09601	2.0
151.03871	1.7
153.09129	0.8
161.13268	0.7
164.04672	0.7
165.01790	1.7
166.06252	5.6
167.06934	0.5
167.10675	7.9
168.10994	0.8
173.77753	0.5
177.12766	1.3
179.10716	3.8
179.14330	10.9
180.14658	0.9
193.01312	3.0
195.13828	29.7
196.14137	2.6
205.12260	19.9
206.12617	2.1
208.03624	4.2
223.02795	5.9
223.05994	2.7
223.13333	100.0
224.02928	0.8
224.13678	9.5
240.27150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.154
Annotation	(-)-Kobusone
Peak:m/z	Relative Intensity
59.01242	0.6
69.33591	1.4
71.24144	0.1
74.30366	0.1
95.89146	0.1
98.19830	0.3
107.68308	0.1
108.22278	0.1
127.07571	0.8
136.85263	0.2
148.05148	0.4
149.05862	0.4
151.07530	0.6
164.08334	2.3
165.08957	0.3
193.61662	0.2
199.39400	0.1
204.39833	0.2
205.12273	1.8
206.12630	0.7
207.13853	1.1
208.14157	0.2
220.14632	4.0
221.15393	100.0
222.15730	10.4
235.13298	1.0
236.13678	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.2
59.96593	0.8
61.98692	0.2
63.71507	0.1
69.30516	1.4
71.01249	0.3
72.99134	0.1
74.03697	0.1
74.98943	12.4
75.96104	0.8
75.98907	0.5
76.07666	0.1
76.96843	0.2
82.09874	0.1
84.80503	0.1
85.02819	0.2
92.19769	0.1
93.00006	12.1
93.99946	0.4
95.01270	0.2
96.14549	0.1
98.20492	0.3
101.02315	0.3
104.33604	0.1
121.02838	0.2
137.02361	0.2
141.01648	0.3
149.00861	12.9
150.00911	0.8
150.98738	0.7
151.03894	0.2
164.83472	0.2
165.01794	0.4
193.01375	0.9
196.06117	0.1
206.99643	5.2
207.99651	0.7
208.03700	1.1
208.97586	0.4
222.04530	0.2
223.02782	100.0
223.13225	0.8
224.02823	12.7
225.00632	0.2
241.03833	3.3
242.03943	0.3
244.78029	0.2
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
54.10955	0.5
59.01247	2.7
69.69592	3.5
109.61758	0.5
109.99973	0.8
113.96053	0.6
122.03579	1.1
138.03114	2.9
150.03078	2.3
161.04695	0.6
162.03036	0.5
163.00293	1.0
165.99062	0.7
177.01837	3.3
177.05696	0.6
177.84634	0.5
178.02580	0.8
190.99724	1.6
205.01335	4.3
206.02135	100.0
207.02473	6.8
221.04501	20.9
221.11794	1.1
222.04814	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	221.0451
Annotation	K 251-1
Peak:m/z	Relative Intensity
55.77783	0.2
58.99731	0.1
59.01250	1.4
63.96091	0.2
65.00207	0.5
69.71641	0.7
69.72050	0.3
71.01240	0.4
72.99189	0.2
78.91056	0.2
85.02792	0.3
93.03340	0.2
98.20497	0.3
103.95223	0.2
109.99976	0.7
119.01170	0.2
122.03603	1.2
137.02333	0.5
138.03123	2.0
149.02290	0.3
150.03133	1.9
157.94971	0.2
161.02333	0.9
163.00308	0.6
164.01004	0.2
165.99005	0.9
177.01848	3.1
178.02553	0.7
190.99818	1.5
195.06648	0.2
205.01376	3.6
206.02135	100.0
207.00447	0.2
207.02470	6.9
221.04494	24.8
221.11774	0.5
221.15379	0.2
222.04831	2.4
222.07167	0.2
222.07587	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1396
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
58.02848	2.0
60.94191	0.7
67.72050	0.7
67.73539	0.6
71.06223	1.3
72.00759	4.2
74.02338	14.4
74.81610	0.7
82.02851	11.6
83.67338	0.7
84.04416	23.8
85.02834	0.9
85.04753	1.0
86.02342	5.3
90.60871	0.7
91.60999	0.6
98.02293	0.9
116.03391	1.3
122.49193	0.7
128.03416	15.8
128.10738	5.3
140.10715	1.3
141.10216	7.9
142.12325	1.4
144.00749	3.4
154.12178	1.4
167.11816	4.2
169.09731	0.7
169.13358	7.5
171.01862	1.0
171.14931	13.5
172.15158	0.8
189.66505	0.7
195.11296	1.5
197.12878	70.1
198.13228	5.0
215.00922	26.5
215.03018	1.4
215.13951	100.0
216.01360	1.9
216.14267	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	215.1647
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
55.28181	0.3
66.01646	0.3
70.38242	0.3
70.49801	1.0
73.23012	0.2
77.14203	0.3
82.02834	0.3
98.20478	0.3
103.89333	0.3
104.63050	0.3
144.00804	0.7
167.14285	0.3
169.15886	4.7
197.15326	2.1
213.14886	0.8
215.00920	8.9
215.16457	100.0
216.01241	0.7
216.16806	8.0
232.88806	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1188
Annotation	Lysopine
Peak:m/z	Relative Intensity
55.01753	4.3
59.01255	2.5
63.50254	1.1
71.01258	5.5
71.36956	2.7
72.00772	3.4
72.04410	1.5
73.02814	3.4
74.64050	1.3
81.43822	1.1
82.02853	51.5
83.01263	1.6
83.03175	1.2
88.03912	18.2
91.62022	1.1
93.71375	1.3
99.00761	6.1
99.04372	1.9
100.03925	2.2
100.07577	2.2
115.11473	1.2
124.07610	1.4
126.09127	6.9
127.07694	3.0
127.08659	56.5
128.07086	3.4
128.08957	3.1
128.10651	3.4
129.17691	1.4
142.08665	1.5
144.02934	5.6
146.08121	8.1
153.10243	11.9
154.08636	100.0
155.08990	4.2
155.11757	7.2
171.11295	92.4
172.11646	3.2
181.09772	10.8
182.08195	1.4
199.10805	88.7
200.11163	4.3
201.61748	1.2
217.11900	34.8
218.10283	4.6
218.12067	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	213.149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.2
65.01317	1.2
66.00832	0.4
69.96335	1.7
72.08758	0.3
72.99187	0.4
82.02862	0.5
83.04906	0.4
92.74046	0.3
98.02339	0.4
102.29885	0.3
106.03996	0.5
120.05554	0.4
121.03808	0.3
122.03486	0.3
130.04028	0.4
144.05534	0.6
145.05115	0.4
151.11154	0.6
160.04951	0.4
162.13261	0.4
165.12708	0.3
168.90944	0.5
169.12271	3.5
171.04288	0.4
171.06676	1.4
172.06210	0.7
177.12799	0.7
183.13821	28.6
183.99998	0.4
184.14157	2.5
185.87491	0.5
186.07909	0.4
187.06184	0.8
195.13831	23.1
196.14140	2.4
211.13284	1.0
213.14899	100.0
214.05081	0.3
214.07211	0.7
214.15236	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	213.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92062	0.3
55.33843	0.3
59.01236	0.9
60.68950	0.3
63.07608	0.3
63.17229	0.3
65.01308	1.0
65.99719	0.6
71.57996	0.4
71.58414	0.5
82.02863	0.5
85.02774	0.3
91.02885	0.6
94.02837	0.4
97.65527	0.3
105.04475	0.4
106.03992	1.2
112.58871	0.3
119.06053	0.4
120.03155	0.3
130.04004	0.8
131.03508	0.4
132.05516	0.5
138.51186	0.3
143.03650	0.3
144.05554	0.8
145.03963	0.5
145.05061	0.8
148.05090	0.3
151.11143	0.6
160.05045	0.9
165.12843	0.5
171.06705	1.3
172.05016	0.3
172.06306	0.4
183.13824	28.5
184.14145	2.5
186.06541	0.5
187.06172	1.0
195.13837	25.8
196.14134	2.5
211.13306	0.7
213.14902	100.0
214.01563	0.4
214.07251	0.9
214.15245	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	213.149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27877	0.4
57.03323	0.4
59.01245	1.5
60.64949	0.5
65.01319	2.0
65.99708	0.5
69.03313	0.5
70.89845	0.8
73.02797	0.5
82.02850	0.5
85.47488	0.4
98.02347	1.0
98.69849	0.5
102.76053	0.4
106.04011	1.2
121.03894	0.5
121.05113	0.4
130.03970	0.8
131.03481	0.8
132.05569	0.5
133.03896	0.5
134.03534	0.5
140.03418	0.6
144.05583	1.0
145.03973	0.8
145.05063	0.9
147.04213	0.4
149.04648	0.4
151.11188	0.7
159.05562	0.6
160.05093	1.6
169.06526	0.4
169.12263	1.0
170.04639	0.5
171.06686	1.7
172.06213	1.4
173.04547	0.5
183.13826	25.7
184.14250	2.2
186.06488	0.6
186.07927	0.7
186.54828	0.5
187.06186	1.9
195.13829	21.9
196.06131	0.9
196.14194	1.9
211.13339	0.7
213.05649	1.0
213.07744	1.4
213.14906	100.0
214.07286	1.6
214.15265	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	213.149
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01247	0.9
61.98696	0.2
65.01316	0.6
65.99712	0.3
66.00842	0.2
79.95642	0.2
82.02843	0.3
83.04894	0.2
87.00768	0.2
90.69081	0.1
91.02927	0.2
95.04984	0.2
95.51725	0.1
97.06480	0.3
106.03981	0.4
111.25613	0.1
120.05556	0.2
125.09585	0.2
125.96024	0.1
130.04030	0.2
133.03998	0.2
134.03522	0.1
142.03996	0.1
144.05579	0.3
145.05127	0.2
151.11174	0.2
159.06763	0.2
160.05077	0.2
165.12750	0.3
167.14342	0.2
168.90958	0.2
169.12260	0.4
171.02815	0.2
171.06683	0.5
172.06207	0.2
177.12794	0.4
183.13821	29.8
184.00125	0.3
184.14159	2.6
185.11665	0.2
186.07890	0.3
187.06133	0.7
195.13832	24.5
196.14163	2.2
211.13365	0.6
213.14893	100.0
214.07269	0.5
214.15242	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	213.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.8
65.86207	1.3
66.03350	31.6
68.04922	77.2
69.03310	1.7
69.43266	3.5
69.43681	8.8
70.02838	4.0
71.01239	4.5
72.00777	31.7
72.99124	1.6
73.02821	9.5
78.26617	1.4
79.43844	1.7
82.02359	2.0
82.02850	36.5
83.01221	1.4
84.02023	1.9
86.02342	2.5
94.02839	5.2
94.06498	1.6
95.04887	2.6
98.02357	4.6
99.00743	20.0
100.00286	2.1
100.03911	11.9
106.02853	2.4
107.04816	1.6
112.03934	1.5
114.05521	1.4
116.03411	1.8
120.66254	1.5
122.06018	15.2
123.05531	18.8
123.09104	1.8
124.03907	2.5
124.07514	2.1
126.01828	1.8
133.07538	1.8
140.07037	1.4
144.02924	53.7
150.05508	55.0
151.05864	3.9
151.08652	6.4
167.06816	2.2
167.08179	36.4
168.08504	3.1
183.13840	2.2
188.26999	1.4
195.07678	100.0
195.13753	1.7
196.07964	8.3
207.75386	1.3
213.08842	7.0
213.14850	9.7
213.18408	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1126
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
54.24969	0.4
55.01747	0.6
57.03308	0.8
59.01250	3.3
61.98691	2.1
65.01299	0.6
69.03315	4.1
69.28511	1.0
69.28841	4.9
71.01252	0.7
71.04890	57.8
72.05228	2.1
72.99150	0.6
73.02816	0.6
78.95784	0.8
79.97883	0.4
81.85675	0.5
82.02827	1.1
83.03143	0.5
83.04891	0.8
85.02806	0.9
87.00746	2.9
87.04388	1.6
97.02824	5.9
97.06458	4.8
98.02293	0.5
98.03636	0.5
99.00739	0.5
99.08043	1.0
104.12133	0.5
106.10865	0.5
113.09619	1.0
115.03895	12.8
115.07528	7.8
116.07855	0.6
123.08007	1.0
125.09584	2.3
126.06790	0.5
126.88975	1.1
127.11172	28.8
128.11511	1.6
140.89519	0.6
141.09131	2.4
141.12807	1.1
143.10683	0.6
145.45218	0.5
151.11194	5.1
168.90948	2.7
169.12251	50.3
169.15967	1.2
170.12595	4.0
177.12727	0.5
183.13817	24.3
184.14171	1.9
185.87645	2.1
194.04918	0.4
195.13829	22.3
196.14183	1.7
211.13356	1.0
213.05569	1.3
213.11308	12.2
213.14897	100.0
214.07309	0.8
214.11682	1.0
214.15262	8.9
214.18527	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1489
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
52.45462	0.7
58.44945	0.8
63.82178	0.6
71.44778	1.4
113.39868	0.8
129.70303	0.7
130.88330	0.7
135.48567	0.7
183.13838	24.4
184.14120	2.3
185.94005	0.7
195.13837	21.7
196.14180	2.1
206.84756	0.8
213.14897	100.0
214.15256	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	213.1487
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01220	0.7
65.01318	1.0
65.99695	0.5
71.08100	0.9
91.02896	0.5
93.03362	0.6
106.03999	0.5
119.05964	0.4
120.05565	0.5
122.03555	0.5
134.03592	0.5
144.05603	0.5
145.05003	0.6
160.05057	0.6
163.95084	0.5
171.06639	0.8
172.06248	1.0
177.12743	0.5
183.13823	28.0
184.14191	2.3
186.06532	0.5
187.06152	1.2
195.13829	22.7
196.14110	2.0
213.01265	1.0
213.14899	100.0
214.07315	1.5
214.15237	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1333
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01225	0.8
65.01302	0.4
65.03847	0.3
69.03317	1.0
71.27060	0.3
71.58344	0.5
83.04894	0.6
91.19254	0.3
96.95683	0.3
116.02372	0.5
145.05040	0.3
155.10603	0.5
157.04985	0.4
164.29105	0.3
165.12759	0.6
166.90958	0.9
167.10638	0.9
167.14299	2.1
183.13821	14.1
184.06395	0.4
184.14154	1.4
193.12270	3.8
194.12596	0.4
211.13321	100.0
212.13672	8.9
212.15604	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
57.03323	3.7
57.11128	0.4
59.01249	100.0
60.01589	1.8
65.01301	0.5
66.03388	0.5
71.21667	0.9
81.03331	1.7
81.03808	0.5
83.04881	1.1
83.50504	0.4
93.03310	0.8
94.02904	0.5
95.04925	0.4
97.06461	2.5
99.59712	0.4
109.06474	3.3
110.80023	0.5
121.02838	32.7
122.03175	2.1
124.03934	2.9
130.03947	0.7
135.04431	0.6
136.01549	0.7
137.05940	0.7
149.05983	3.4
156.05583	0.8
160.05339	0.4
161.02318	0.6
163.11209	0.8
164.94044	0.9
165.12784	3.9
173.86838	0.5
179.03378	1.0
183.06664	1.7
194.02133	0.8
194.05847	1.0
209.04507	4.6
209.06340	0.7
209.08165	1.9
209.11760	19.4
210.04927	0.6
210.07666	1.5
210.12099	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	210.1129
Annotation	Mescaline
Peak:m/z	Relative Intensity
59.00990	2.7
59.01250	40.0
60.01571	6.8
65.01289	3.8
69.83199	2.2
71.58333	5.1
78.65926	3.3
81.03292	2.3
82.02863	2.9
91.02893	2.6
91.76313	2.3
94.02840	5.9
103.91893	5.8
105.04449	2.5
110.05972	4.8
116.02419	2.5
121.02837	5.0
122.03160	14.0
124.03931	17.4
142.04004	4.3
149.05945	6.9
150.06342	19.3
156.05563	12.5
157.05061	3.7
166.90941	19.1
166.93756	4.5
167.03494	3.0
169.05070	3.8
183.06659	15.0
183.13808	10.2
210.04657	2.5
210.08199	12.8
210.11266	100.0
210.89893	5.5
211.07613	4.1
211.11552	9.8
211.13333	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.113
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38676	0.4
57.03308	0.4
59.01242	1.8
65.01310	1.2
65.18245	0.3
66.03384	0.3
69.03316	0.4
69.26859	3.4
78.03376	0.9
78.95779	0.4
80.04927	71.1
81.04496	0.4
81.05261	2.6
83.04878	0.6
93.00032	0.4
94.02866	2.2
95.01300	0.3
96.04424	35.0
97.04009	0.3
97.04738	1.4
103.91923	0.5
110.05997	100.0
111.05630	0.4
111.06332	4.8
113.34940	0.3
121.02843	1.2
122.02390	0.7
122.03168	1.8
123.07992	0.3
124.03923	2.7
130.04004	0.5
132.05591	0.3
137.02348	0.4
142.04015	0.8
145.05080	0.4
155.03522	0.4
156.05530	2.2
157.05046	0.7
166.90999	1.1
166.93712	0.9
167.03432	0.4
167.10698	0.8
167.14336	0.7
169.05058	0.7
170.05875	0.4
183.06659	3.4
183.13812	5.0
184.06186	0.4
193.12288	1.0
195.05473	0.5
210.08015	2.1
210.11690	7.7
211.05963	0.7
211.07819	0.6
211.13338	34.1
221.25107	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1333
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
61.76822	0.5
62.61820	0.4
64.21781	0.4
66.92085	0.4
69.03311	1.0
71.57648	0.8
78.42477	0.4
83.04877	0.7
84.03513	0.4
102.97902	0.4
160.18419	0.4
165.12746	0.6
167.10591	0.8
167.14297	1.3
175.13464	0.4
183.13815	15.6
184.14124	1.4
193.12238	5.0
211.13327	100.0
212.13675	8.9
212.96733	0.5
218.15677	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.7
61.98705	0.4
69.03330	1.0
78.95759	0.6
83.04884	0.5
98.19794	0.9
101.03828	0.3
103.91888	0.8
124.89279	0.3
146.49925	0.2
149.13293	0.2
155.10689	0.5
162.97382	0.3
165.12717	0.3
166.90959	3.5
166.93742	0.7
167.10696	0.9
167.14322	1.3
183.13821	14.9
184.14171	1.0
189.69420	0.3
193.12286	4.3
196.03725	0.3
210.89906	0.6
211.13327	100.0
212.13672	7.8
229.28613	0.3
234.35371	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
50.12888	0.6
58.16653	0.5
58.80693	0.6
59.01250	47.1
69.03322	0.6
71.16014	1.0
78.21118	0.6
80.91533	1.2
83.02373	1.1
91.01742	1.0
93.03336	0.7
94.02862	1.2
96.95871	1.7
103.91891	2.2
109.02755	0.8
111.79559	0.6
118.94083	1.1
120.02029	1.2
120.95001	1.0
121.02839	69.9
122.03164	3.0
122.89314	0.7
124.03903	4.1
125.02307	1.0
127.02832	0.6
136.01532	1.0
136.56310	0.6
137.02322	0.8
137.05965	0.8
147.08095	1.0
149.05988	9.1
163.55287	0.5
164.62720	0.6
164.91605	1.4
164.94028	22.5
165.12733	1.3
166.90912	1.0
166.94212	1.5
176.04794	0.7
179.03499	1.4
184.91997	1.5
191.10683	0.6
194.02130	1.5
208.93082	6.9
209.04436	9.9
209.08220	3.9
209.11760	100.0
210.07758	0.8
210.12090	8.4
212.83347	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
50.49080	0.2
52.03639	0.3
59.01254	1.9
66.55693	0.2
69.03314	0.3
69.51215	0.6
69.51622	1.4
75.70975	0.2
76.78787	0.2
77.26385	0.2
80.02531	2.5
81.03327	2.3
83.04892	8.7
83.84531	0.3
84.05201	0.3
85.02776	0.2
85.53482	0.3
86.23901	0.2
94.02853	0.3
95.04893	1.2
97.62820	0.3
106.04088	0.3
109.06499	0.6
110.06010	0.7
121.02836	8.6
122.03124	0.5
124.03909	1.0
125.02369	0.4
125.05930	0.9
135.08034	1.0
149.06003	1.4
151.03896	0.6
155.88365	0.2
161.37721	0.3
163.09805	0.5
163.11176	6.8
164.11481	0.5
164.94023	0.3
165.12752	4.8
179.03410	1.6
181.12271	1.2
183.06688	0.7
191.10677	1.9
194.05807	1.6
209.04456	1.1
209.11752	100.0
210.07840	0.7
210.12109	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0815
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.66994	0.8
57.03321	1.2
59.01254	5.7
62.95795	0.8
65.01323	1.7
68.67303	0.9
69.54015	0.9
69.54399	0.8
69.83270	2.2
69.83685	4.2
71.01280	4.3
72.99174	2.9
73.02820	2.9
78.95770	2.6
79.51801	0.9
81.03315	1.4
83.01286	1.3
83.02386	0.9
85.02824	1.4
87.00757	2.1
89.01321	0.8
90.16800	0.8
91.02907	0.9
91.05408	54.1
92.05749	2.2
93.03344	3.0
94.02870	2.2
97.03967	0.9
99.79745	0.9
117.01811	3.2
117.03336	7.0
119.04887	4.0
120.02065	1.0
121.02843	65.0
122.03210	1.9
123.91707	0.9
124.03945	4.3
125.02344	6.5
135.04427	17.6
139.07578	1.0
147.04405	17.4
148.04851	1.1
149.06001	3.1
151.03946	1.4
153.01857	2.3
156.04417	0.9
156.05588	3.8
161.02332	2.9
163.03911	12.4
163.07573	3.7
165.05481	29.0
165.09055	0.9
166.05904	1.3
166.75713	0.9
170.05904	1.1
179.03455	4.8
182.04668	2.0
183.06667	4.5
191.07021	6.1
192.07574	1.1
194.02180	2.2
194.05779	2.5
209.04843	10.4
209.08144	100.0
209.11743	9.7
210.04015	1.1
210.08386	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	209.0813
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
57.03323	0.6
59.01247	100.0
59.24087	0.3
60.01581	0.9
60.99182	0.4
70.35405	1.6
89.09688	0.3
91.01772	0.4
93.03323	0.4
94.02900	0.6
106.04120	4.8
107.04922	1.6
108.02032	0.8
120.02031	0.5
121.02837	16.6
122.03156	0.9
124.03912	1.3
125.00054	0.3
147.08051	5.9
148.08659	0.4
149.05977	83.5
150.06337	4.6
163.07544	0.6
164.94086	2.1
165.12727	2.0
183.06526	0.5
208.93094	0.9
209.04495	2.0
209.08124	22.4
209.11424	3.0
210.08493	1.9
221.42050	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0814
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
51.92040	0.7
59.01249	90.2
60.01580	1.3
65.01329	1.0
66.31904	0.7
71.90063	0.7
83.02360	0.7
83.04906	2.0
84.04430	0.9
84.50676	0.6
85.02809	0.9
87.00761	0.7
91.01750	1.3
91.02878	0.9
93.03352	0.7
94.02861	2.0
96.95943	0.9
97.02760	0.7
99.01831	0.6
105.73663	0.8
106.04108	3.2
107.04885	1.9
108.02045	2.6
117.03159	0.7
120.02004	0.8
120.41397	0.7
121.02843	100.0
122.03139	4.0
122.89279	0.8
123.04448	1.1
124.03942	5.3
125.02322	2.9
127.39254	0.7
135.04445	1.6
136.01563	2.0
137.06020	1.2
139.05011	0.8
142.04079	0.8
143.04851	0.8
147.08064	5.3
149.05980	68.5
150.06345	4.3
151.04018	0.7
152.84427	0.7
156.05606	2.6
161.02309	1.1
164.94034	9.0
165.01866	0.8
165.05528	0.9
165.12758	0.9
165.89975	0.8
167.03400	1.1
178.99940	1.1
179.03423	1.8
182.04514	0.9
183.06689	4.7
194.02139	1.3
194.05745	2.9
208.93094	3.1
209.04538	13.4
209.08144	19.1
209.11728	16.0
209.15489	0.9
210.05177	0.7
210.08025	3.7
210.11261	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	209.0811
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
59.01249	100.0
60.01547	0.8
70.86099	2.1
71.19103	0.7
85.05218	0.7
86.07137	0.6
94.02851	0.9
96.95906	0.7
103.19664	0.8
103.91904	1.2
106.04121	4.6
107.04947	1.3
108.02055	0.7
119.50340	0.6
120.02029	1.0
120.94980	0.7
121.02840	36.3
122.03206	2.3
122.89382	0.8
124.01561	0.7
124.03957	2.2
147.08043	6.5
149.05981	69.2
150.06308	4.0
164.91357	0.6
164.94048	8.7
164.95378	0.9
179.03461	1.0
192.86496	0.6
194.02049	0.7
194.05869	1.2
208.93152	2.7
209.04596	5.1
209.08127	18.3
209.11852	2.6
209.15289	0.7
210.08418	1.1
225.46408	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01586	1.6
64.70887	0.6
67.21513	0.5
70.64488	1.7
70.64845	0.7
72.38627	0.7
94.02808	0.6
98.19818	0.7
106.04117	4.8
106.32394	0.6
107.04895	2.1
108.02055	1.2
108.53396	0.6
121.02846	25.0
122.03145	0.7
124.03936	1.6
147.08054	6.0
149.05980	86.3
150.06282	4.7
164.93999	2.4
194.05782	1.1
208.93106	1.2
209.04483	2.6
209.08141	18.9
209.11569	3.3
210.08394	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0449
Annotation	2,4-Diacetylphloroglucinol
Peak:m/z	Relative Intensity
57.03322	10.5
58.03617	0.1
59.01248	0.7
63.02265	0.4
64.33251	0.1
65.00192	0.8
65.01319	0.1
68.55463	0.1
70.97882	0.2
70.98223	0.2
80.02541	0.2
81.03326	2.1
81.03764	0.2
83.01254	9.7
83.04888	0.4
84.01585	0.2
91.01785	0.1
91.05402	0.4
93.27473	0.1
94.02881	0.1
95.04878	0.1
105.03345	0.2
107.01284	0.8
120.02021	0.1
121.02838	7.6
122.03222	0.3
123.04401	1.9
124.01523	0.1
124.03926	0.3
125.02333	100.0
126.02672	4.4
126.48723	0.1
133.02895	0.2
147.04480	0.2
149.02367	1.0
149.05986	0.3
150.02995	0.1
151.00267	1.2
156.05559	0.2
163.03900	0.2
163.11156	0.4
165.05476	0.4
165.12801	0.2
165.99026	0.1
167.03407	2.0
167.04701	0.2
169.01305	0.1
175.21104	0.1
179.03461	0.6
181.05025	0.1
194.02074	0.2
194.05804	0.3
194.50031	0.1
209.04501	4.9
209.08159	0.9
209.11749	4.2
210.04791	0.4
210.07800	0.3
210.12100	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0812
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
55.23012	0.5
55.89613	0.5
59.01250	100.0
60.01596	0.9
63.13028	0.5
71.11201	1.5
77.62667	0.5
96.80752	0.6
98.57777	0.6
106.04121	3.9
107.04923	1.3
108.02038	0.7
121.02843	17.4
121.06455	0.6
122.03204	0.7
122.45356	0.5
124.03962	0.9
125.02341	0.8
135.04416	0.9
137.02394	0.9
147.06963	0.9
147.08058	6.9
149.05980	99.5
150.03136	0.8
150.06334	6.3
163.07478	0.7
167.03700	0.5
175.03922	0.6
183.06738	0.6
209.02776	0.9
209.04601	2.7
209.08134	25.6
209.11726	2.1
210.08472	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	205.1592
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
54.25637	0.1
59.01248	0.2
61.18624	0.1
67.46883	0.1
71.29989	0.2
74.47208	0.1
80.69901	0.2
106.34657	0.1
106.42825	0.1
133.83470	0.1
139.15974	0.1
149.09590	0.2
162.89227	0.3
189.12782	1.9
205.15910	100.0
206.16251	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	206.0817
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
53.38626	0.3
58.02846	36.7
58.19592	0.4
59.01245	1.2
65.99731	0.5
66.89487	0.4
69.67653	2.8
70.02844	13.1
72.00777	5.5
75.00748	0.5
88.35077	0.5
91.05404	5.5
91.05936	0.4
106.13433	0.5
110.02306	0.5
135.04379	2.5
147.04410	36.7
148.04723	2.4
162.09158	1.4
164.07072	100.0
165.05411	0.7
165.07428	6.1
170.08139	0.4
177.01894	0.9
192.04135	1.1
206.08153	34.7
207.06612	0.8
207.08510	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	207.0503
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
56.86119	4.3
59.01245	19.8
70.65342	12.1
71.01242	12.6
72.99181	4.7
73.02835	10.9
78.43041	4.5
87.00739	4.1
89.02309	53.5
93.40273	4.5
117.01826	38.8
130.98705	5.1
131.03386	11.4
134.96951	5.1
140.77769	5.0
149.04466	100.0
207.05057	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	207.0657
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
59.01249	100.0
60.01587	1.9
64.63855	1.1
65.01315	1.5
65.99712	1.8
68.20100	1.1
71.01257	1.5
71.58202	2.1
72.99179	9.8
75.00732	1.8
91.05396	2.4
93.03330	7.0
95.04910	1.2
96.00771	1.4
98.02398	1.4
105.03317	3.9
107.04935	5.8
117.03353	1.4
119.04913	14.5
121.02817	4.5
122.02348	1.3
123.04426	3.1
127.79234	1.4
130.94290	1.3
133.02794	1.5
134.03622	16.6
135.04434	17.9
147.04411	95.9
148.01535	2.3
148.04768	5.3
149.02390	6.3
163.03891	12.4
164.04405	1.4
165.01759	2.2
165.05478	81.7
166.05843	4.8
177.01802	8.6
177.03009	1.0
178.99797	1.9
192.00533	3.9
192.04204	9.5
193.01273	5.5
204.01192	1.2
207.01172	1.7
207.02876	3.9
207.06560	4.2
207.10283	2.0
207.13875	1.3
208.06102	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	205.0347
Annotation	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
53.00202	1.1
55.01760	7.7
55.18532	0.9
56.80758	1.0
57.03313	4.4
58.00465	3.2
59.01249	89.4
60.99170	2.7
67.01769	4.3
68.99686	10.3
69.03320	1.7
69.83007	5.8
71.01251	75.7
71.04888	16.5
72.99177	43.8
73.02814	21.3
75.00745	32.3
75.01174	1.3
81.03336	4.1
83.01259	12.3
83.04897	1.5
84.99211	1.4
85.02815	9.2
85.99960	1.2
87.00748	67.2
88.01103	1.5
88.98700	1.6
89.02310	6.0
89.49564	1.0
96.99190	7.1
97.99963	1.3
98.20477	1.9
99.00755	30.3
99.04393	21.3
100.04658	1.1
100.98678	2.9
101.02323	30.8
103.00257	7.8
111.00764	43.1
112.01130	1.4
112.98669	7.9
113.02331	1.9
115.00256	88.2
115.03882	6.4
116.00625	1.2
117.01830	13.5
124.98691	11.3
125.02335	100.0
126.02660	3.5
127.00282	10.5
127.03982	1.0
129.01834	14.8
130.99750	18.1
131.03394	1.3
133.01381	1.1
134.06010	1.2
142.99756	20.6
143.03412	7.8
143.07056	2.2
144.00510	4.3
144.75778	1.1
145.01321	37.3
145.04938	5.8
146.01622	1.1
147.02844	1.4
154.99773	18.6
157.01318	9.7
159.02963	1.2
161.04369	1.3
163.06027	1.4
169.01346	1.0
173.00818	6.7
175.02402	8.8
187.02406	12.8
192.00922	0.9
205.03481	21.2
205.07123	3.1
206.04301	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	205.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30167	3.1
55.01765	6.6
58.00477	5.2
59.01249	62.2
64.19425	2.9
67.01753	4.1
68.99683	12.6
70.67790	7.8
71.01250	83.7
72.01581	2.9
72.99185	48.1
73.02826	10.0
75.00742	40.0
83.01249	11.5
85.02828	4.6
87.00744	57.0
89.02316	5.2
89.92344	3.0
96.99181	8.5
99.00752	34.3
101.02332	7.5
103.00230	9.9
111.00746	17.2
112.98710	12.0
115.00256	100.0
117.01803	13.9
123.20872	3.0
124.98684	12.1
125.02328	13.6
127.00287	11.8
129.01848	14.9
129.32883	3.1
129.90340	3.0
130.99734	12.3
138.77463	2.8
142.99739	24.4
145.01314	26.1
154.99779	13.7
157.01282	4.0
169.01357	2.9
170.22682	3.1
170.24130	2.7
173.00885	5.2
175.02377	5.4
205.03322	5.4
205.12306	4.9
205.15950	14.6
206.04338	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1332
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
53.90419	0.3
59.01245	1.7
65.01316	1.3
65.99716	0.4
69.03326	0.4
71.57728	0.3
74.15935	0.3
78.61057	0.4
82.02853	0.5
83.01262	0.4
83.04910	0.7
85.02818	0.3
89.01304	0.4
90.00855	0.4
92.02363	0.3
96.04440	0.3
98.43180	0.4
99.00743	1.1
99.08028	0.6
116.87021	0.4
130.04025	0.9
131.03589	0.4
136.49507	0.4
137.09630	0.5
145.03934	0.6
155.10655	1.2
156.89439	0.6
157.05072	0.8
162.83858	2.8
163.11174	1.2
164.83536	2.7
169.12253	6.9
172.05002	0.8
181.12256	21.7
182.12549	1.6
191.47974	0.3
197.11786	1.8
199.13330	100.0
199.80489	2.7
200.05676	0.4
200.13670	7.7
213.98221	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1696
Annotation	Isolauric acid
Peak:m/z	Relative Intensity
59.48630	0.3
62.54125	0.3
62.73260	0.3
70.82190	0.8
90.85459	0.3
111.00803	0.4
120.66864	0.3
120.72321	0.3
162.83794	3.1
164.83496	2.5
199.16959	100.0
199.80440	3.0
200.17300	8.9
212.67850	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0819
Annotation	L-Tryptophane
Peak:m/z	Relative Intensity
50.07199	2.0
53.15691	2.0
55.35989	2.2
59.01242	4.7
69.99008	7.9
72.00776	22.1
74.02350	37.4
88.48454	2.0
104.38985	2.0
116.04947	100.0
117.05318	5.8
130.06548	3.3
142.06548	22.5
159.09184	13.8
186.05525	4.0
203.08209	54.0
203.10378	4.1
204.03120	3.0
204.08499	3.9
219.98338	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	203.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69190	1.0
56.45151	1.3
59.01249	100.0
60.01569	1.3
64.56220	0.9
65.01299	1.5
65.99713	1.7
66.00845	1.3
69.94104	5.6
71.01254	1.5
72.99164	1.1
75.00739	1.5
87.81793	1.1
91.02890	1.2
97.06496	1.0
99.08018	4.5
106.03996	2.1
114.81104	1.0
116.04967	1.2
119.02380	1.3
129.30348	1.0
134.03476	1.3
137.59750	1.1
143.07045	3.3
148.04988	1.2
149.03479	1.0
161.04576	2.1
161.08125	1.2
173.04567	1.2
174.02991	1.1
176.04558	2.4
194.01544	1.1
203.03510	1.4
203.05530	2.8
203.07332	1.7
203.09100	1.4
203.10802	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	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.01751	0.8
69.03315	0.7
71.04893	1.1
82.02827	0.7
83.01267	0.3
83.04883	0.4
90.61723	0.3
94.02858	0.3
95.04898	0.6
96.04431	1.1
96.94787	0.3
97.06465	15.7
98.06796	0.8
99.08032	4.4
109.06477	0.6
111.08062	0.5
122.03636	2.2
123.13057	0.3
124.03912	0.4
125.02266	0.4
125.09601	1.1
126.03113	1.2
137.09616	1.7
150.05466	0.5
151.11177	0.9
153.12750	100.0
154.13094	7.0
160.84076	0.6
162.83835	1.1
179.10693	21.1
180.11035	1.6
182.02202	0.7
197.11751	6.0
197.15398	1.7
197.80672	1.1
198.12172	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1333
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
50.15120	0.3
57.03318	0.7
59.01243	0.9
61.54599	0.3
63.50872	0.2
65.01314	1.0
69.03327	0.4
71.04894	1.2
71.06335	0.2
71.06678	0.7
79.98677	0.2
83.04888	0.5
85.02824	0.4
85.95170	0.3
91.07362	0.3
96.04421	0.4
97.06448	0.4
98.06907	0.3
99.00745	0.8
105.04428	0.3
123.23340	0.3
125.09602	1.9
127.11176	4.1
130.03979	0.7
141.12782	0.4
146.03525	0.3
152.08403	0.3
153.12744	0.9
155.10686	1.2
155.14272	0.6
157.05101	0.5
159.98456	0.3
162.83832	1.7
163.11220	0.5
164.83487	2.4
169.12285	0.6
171.10205	0.5
172.05055	0.9
173.04593	0.5
181.12250	1.0
197.11765	2.1
199.13322	100.0
199.80463	1.5
200.05577	0.4
200.13670	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	195.1383
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
51.55662	0.2
55.01755	0.9
59.01241	0.6
61.98693	1.0
66.03330	0.3
66.72454	0.2
69.54523	1.9
70.02847	0.5
71.01250	0.7
82.02851	0.9
83.01231	0.3
85.02826	1.2
94.02856	2.6
95.03644	0.3
95.04898	0.7
96.04413	0.3
96.95830	0.3
97.02811	0.6
98.02348	4.8
99.00777	0.9
107.04884	0.6
108.04410	0.5
109.01605	0.3
109.06475	4.2
110.02373	0.3
111.08041	3.9
112.03934	1.0
120.04491	0.4
121.73854	0.3
122.02364	3.2
122.03636	0.9
122.06051	1.4
123.04390	1.8
124.03892	1.2
125.09620	0.9
134.02362	0.5
135.03181	0.8
135.11684	0.7
136.03946	0.7
138.05495	1.2
138.06735	0.7
139.07558	0.3
148.03944	0.4
150.03030	0.3
150.05518	1.1
150.92482	0.4
151.11150	0.4
152.03442	0.9
152.91640	4.0
152.94331	0.6
160.84116	8.3
165.01799	0.5
165.12700	0.3
166.05006	1.1
167.14326	6.2
167.90334	1.3
168.14650	0.6
179.10696	4.8
180.04219	0.6
194.92957	1.4
194.95535	0.3
195.13832	100.0
195.81039	3.0
196.06142	0.7
196.14171	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	193.0499
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
59.01235	1.6
60.54193	0.6
70.60400	0.6
70.60766	2.0
71.01234	1.9
73.02805	1.7
73.75455	0.6
85.02805	2.6
87.00750	1.3
89.03883	0.5
90.33045	0.6
91.14457	0.7
93.03333	1.5
97.02807	1.0
99.00745	1.5
101.02318	2.0
106.04125	1.3
108.02024	0.6
109.02759	0.7
111.00746	0.9
117.03335	0.6
121.02835	3.0
121.76293	0.7
125.02323	0.7
133.02876	5.3
134.03630	100.0
135.03969	5.3
137.02341	18.2
139.03915	5.1
141.01854	0.8
149.02333	1.2
149.05984	24.2
149.07173	1.3
149.66095	0.6
150.03194	3.0
150.06364	1.8
152.75742	0.7
161.04439	3.7
178.02637	66.6
179.03006	3.6
193.01292	1.1
193.05031	29.0
193.07069	2.0
194.05307	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	195.0656
Annotation	XANTHOXYLIN
Peak:m/z	Relative Intensity
55.01759	1.3
57.03326	0.7
59.01250	1.3
61.98707	1.2
66.03342	0.8
67.01777	0.7
68.99698	0.6
69.03341	1.0
70.02853	1.8
71.01241	2.5
71.29380	0.5
72.50357	0.5
79.01763	0.7
81.03348	0.8
82.02865	3.8
83.01258	1.5
84.04423	0.7
85.02824	2.6
87.10522	0.4
93.03358	0.5
94.02850	8.1
95.01266	0.7
95.03651	0.7
95.04904	1.5
96.04448	1.5
96.95894	0.9
97.02841	0.9
97.06464	0.6
98.02351	13.8
99.00760	3.5
100.03973	0.5
101.02328	0.5
103.01788	0.8
105.03310	0.8
106.06483	0.8
107.03671	0.9
107.04891	1.6
108.02071	0.8
108.04450	1.1
108.56272	0.4
109.01590	1.3
109.02822	1.7
110.02374	1.4
111.04386	0.7
112.03919	3.2
119.04900	1.6
120.04472	0.8
121.02837	1.3
121.05207	0.6
122.02366	9.3
122.06001	2.9
123.00705	0.5
123.04414	5.9
124.01581	0.8
124.03955	2.9
124.07599	0.5
125.02365	0.7
134.02362	1.0
134.06004	1.1
135.03207	2.1
135.04353	2.3
136.03940	2.1
136.05145	0.9
137.02353	3.2
138.03122	4.7
138.05498	4.0
142.04039	0.6
148.03960	0.8
150.03117	1.8
150.05513	3.1
151.03909	3.9
151.07555	2.0
152.01047	0.5
152.03415	2.7
152.04688	3.8
152.91658	7.4
152.94431	1.1
153.05486	8.0
160.84125	10.8
163.03839	0.5
164.01033	0.7
165.01851	2.6
165.05479	1.0
166.05000	3.2
166.15265	0.4
167.90367	2.8
169.05066	0.5
177.05496	0.6
178.05002	1.1
179.01816	0.8
179.03413	18.9
180.04193	100.0
181.04538	6.4
182.16336	0.4
194.92769	3.1
194.95486	0.5
195.06554	94.5
195.13785	5.9
195.80984	3.9
196.07008	6.4
212.93857	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0554
Annotation	Quinic acid
Peak:m/z	Relative Intensity
52.73885	0.1
55.01744	0.2
56.78760	0.1
57.03321	0.9
58.00451	0.1
59.01249	4.0
60.99171	0.4
65.99702	0.1
67.01759	1.3
68.99678	0.1
69.03328	0.8
69.53139	0.3
69.53552	0.7
71.01248	2.3
71.04881	0.2
72.99165	0.2
73.02816	1.1
81.03312	1.3
83.01253	0.2
83.04895	1.2
85.02820	29.6
86.03157	0.8
87.00749	6.2
93.03329	8.8
93.04206	0.2
94.03668	0.5
95.01250	0.4
99.00761	0.2
99.04388	1.1
101.02332	0.3
106.32496	0.2
108.02069	0.2
109.02841	2.4
111.00764	2.1
111.04398	2.9
113.02313	0.4
121.03928	0.1
125.02324	0.4
127.03898	5.7
128.04199	0.2
129.01810	0.4
137.02388	0.3
145.04895	0.1
153.01878	0.3
155.03389	0.5
171.02908	1.6
173.04465	2.7
176.01054	0.2
191.05534	100.0
192.04057	0.3
192.05870	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	193.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42513	0.2
55.01758	0.4
57.03321	0.4
59.01244	2.1
65.00199	0.4
65.01321	0.4
67.01774	0.4
69.03310	1.2
69.62799	0.8
69.63224	1.1
71.01254	3.9
72.99164	0.4
73.02820	3.2
81.03329	0.6
83.01259	1.3
85.02827	3.6
85.99979	0.5
87.00745	3.0
89.02319	0.3
89.03834	6.2
90.04137	0.3
91.01780	0.3
93.03317	2.1
93.06992	0.3
95.01260	0.7
97.02825	1.5
97.03929	0.3
98.20647	0.3
99.00758	3.4
101.02312	4.9
106.04105	1.2
107.01292	0.5
108.02041	1.0
109.04001	0.4
111.00741	0.5
113.02331	1.0
117.03348	11.2
118.03679	0.4
121.02845	1.2
121.06496	0.9
122.03620	0.5
123.00774	0.6
123.04396	0.4
125.02348	1.8
133.02840	0.8
134.03629	100.0
135.00778	3.5
135.03952	5.3
136.01535	0.5
137.02353	1.6
137.05981	0.5
139.03841	0.5
141.01874	1.5
149.02359	1.0
149.05975	4.7
150.03064	1.8
153.05479	0.3
155.03389	0.8
161.04460	7.1
162.04784	0.5
162.74852	0.3
163.00270	11.7
164.00706	0.4
165.05505	1.0
165.09192	0.4
166.06154	0.5
175.05997	0.5
178.02632	13.3
179.03084	0.9
183.06525	2.1
191.50273	0.3
193.01308	1.0
193.04999	12.2
193.07094	3.9
193.08731	0.9
194.05347	0.8
194.07817	0.3
194.57195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0499
Annotation	Erbstatin Analog
Peak:m/z	Relative Intensity
55.70341	0.3
59.54596	0.2
60.39742	0.2
60.47393	0.2
69.03305	0.3
69.78630	1.6
71.01248	0.7
72.89951	0.2
73.02823	0.7
83.01265	0.4
85.02831	0.6
92.06555	0.2
93.03320	0.5
97.02832	0.3
97.75695	0.2
98.84956	0.2
99.00750	0.5
101.02319	0.8
102.38232	0.2
106.04090	0.8
109.02865	0.5
111.00771	0.5
121.02857	2.3
123.04474	0.3
133.02846	19.6
134.03645	16.8
135.03979	1.0
136.01543	0.4
137.02335	14.1
138.02634	0.6
139.03893	4.4
140.04176	0.3
149.02324	0.8
149.05974	0.5
150.03113	1.9
161.02344	27.1
161.04477	1.1
162.02708	2.3
165.01884	0.4
178.02621	4.9
193.04984	100.0
194.05321	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	191.0553
Annotation	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
Peak:m/z	Relative Intensity
57.03320	2.0
59.01244	4.1
60.99169	0.4
67.01747	1.5
69.03326	0.6
69.42666	3.0
71.01258	2.3
72.99184	0.8
73.02808	1.5
81.03329	1.1
83.04890	1.2
85.02818	30.6
86.03150	1.1
87.00747	13.8
88.01074	0.4
93.03333	7.8
96.35440	0.3
97.02802	0.4
99.00726	0.6
99.04395	1.2
101.02287	0.8
101.05962	0.9
109.02834	2.4
111.00758	19.6
111.04407	2.4
112.01073	0.6
112.98672	0.5
115.03841	0.4
117.01846	0.4
127.03915	5.2
129.01781	1.1
129.05473	0.4
137.02373	0.4
154.99786	0.5
155.03362	0.3
171.02919	1.9
173.00816	0.7
173.04422	2.2
191.02058	2.8
191.05528	100.0
192.05881	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0553
Annotation	Quinic acid
Peak:m/z	Relative Intensity
55.71931	0.6
57.03321	0.5
59.01252	2.8
59.30937	0.4
65.41418	0.3
67.01763	0.8
69.03309	0.6
69.65322	1.0
69.65733	2.1
71.01250	2.0
73.02818	0.6
73.13334	0.4
73.30154	0.4
81.03339	0.9
82.98199	0.4
83.04915	0.9
85.02821	22.4
86.03189	0.7
87.00736	4.6
93.03330	7.2
98.19843	0.4
99.04390	0.8
109.02816	1.6
111.00768	0.6
111.04399	2.2
127.03896	4.5
163.00287	0.9
171.02876	1.0
173.04471	2.3
191.05528	100.0
192.05867	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	191.0553
Annotation	Quinic acid
Peak:m/z	Relative Intensity
51.22466	0.3
57.03311	0.7
59.01245	4.6
62.47631	0.3
62.56498	0.3
63.77301	0.2
67.01740	1.5
68.83124	0.3
69.03323	1.2
69.87994	1.2
71.01250	2.9
73.02794	1.9
81.03318	1.4
83.04899	1.8
85.02818	34.4
86.03157	1.1
87.00746	7.0
88.01140	0.3
93.03331	12.0
94.03677	0.5
95.01258	0.5
96.02031	0.3
97.02852	0.4
99.04396	1.3
103.84049	0.3
108.02026	0.3
109.02826	3.0
111.00755	1.1
111.04400	3.2
113.02353	0.4
118.46076	0.3
125.02383	0.4
127.03904	6.2
137.02362	0.8
153.01825	0.3
155.03462	0.3
156.65524	0.3
171.02911	1.6
173.04462	2.4
176.01067	0.4
176.35118	0.3
191.05530	100.0
192.05879	5.4
197.32954	0.3
202.78716	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0343
Annotation	5,7-DIHYDROXY-4-METHYLCOUMARIN
Peak:m/z	Relative Intensity
63.02264	3.8
65.00188	2.4
69.33098	0.2
69.33633	2.2
69.33926	0.3
79.05397	0.9
81.03324	3.5
83.01260	1.7
85.02819	0.5
86.75955	0.2
89.00209	0.3
91.05379	0.4
93.03313	0.4
93.49689	0.2
94.71523	0.2
103.05401	1.1
105.03339	2.5
105.11898	0.2
107.01268	2.7
111.00747	0.4
119.04915	1.8
121.02845	0.5
123.04404	1.8
125.02306	0.4
132.02069	0.4
137.47545	0.2
147.04411	4.9
149.01213	0.4
149.02350	4.2
150.02725	0.4
151.00194	0.3
163.03908	0.3
176.01051	0.4
191.03421	100.0
192.03764	7.7
202.46837	0.2
206.42801	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17536	0.4
57.03318	2.6
59.01250	4.7
67.01759	2.3
69.03312	0.9
70.30370	1.4
71.01244	2.9
72.67818	0.4
72.99186	0.8
73.02816	2.6
81.03339	1.7
83.01250	0.7
83.04898	1.1
85.02821	38.5
86.03150	1.2
87.00748	19.0
93.03333	8.3
93.97678	0.4
94.03620	0.4
95.01271	0.5
95.57157	0.4
99.00769	0.6
99.04398	1.5
101.02304	0.7
101.05954	1.4
109.02820	2.0
111.00758	24.2
111.04394	3.1
112.01070	0.9
112.98683	0.9
115.03870	1.2
127.03051	0.6
127.03896	5.8
129.01811	2.0
154.99832	0.6
155.03397	0.4
171.02875	1.9
173.00827	0.8
173.04463	2.6
191.02077	2.1
191.05530	100.0
192.05881	5.4
201.51723	0.4
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	Unknow
Peak:m/z	Relative Intensity
53.02012	0.2
57.03313	0.6
58.00459	0.4
59.01245	3.9
67.01767	1.7
69.03319	0.8
71.01255	2.5
71.43781	0.5
73.02820	1.3
76.81439	0.3
81.03339	1.7
83.01231	0.4
83.04893	1.0
85.02821	30.7
86.03164	0.9
87.00751	5.8
91.01747	0.5
93.03332	9.2
95.01257	0.4
99.04391	1.4
101.02343	0.3
109.02832	2.7
111.00782	0.7
111.04398	2.6
113.02347	0.3
117.80740	0.2
118.02039	0.3
119.01288	0.4
127.03902	5.9
128.04269	0.3
137.02298	0.4
143.03426	0.3
155.03427	0.6
163.00282	1.2
164.00812	0.3
165.01791	0.3
171.02911	1.2
173.04433	2.8
176.01019	0.3
191.05539	100.0
192.05898	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	191.0342
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
55.17168	0.1
57.03313	0.4
59.01244	0.5
63.02261	4.9
63.45593	0.1
64.02605	0.2
64.96908	0.1
65.00185	3.0
65.01307	0.2
65.39508	0.1
65.99721	0.2
67.01740	0.1
71.06824	0.2
72.99161	0.2
73.02816	0.1
77.03844	0.1
79.05397	0.8
81.03322	4.3
82.03625	0.1
83.01244	1.7
85.02818	2.5
87.00738	1.9
89.00193	0.3
91.05405	0.7
93.03327	0.8
95.04873	0.2
97.03957	0.1
103.05409	0.8
105.03333	3.2
107.01264	2.9
109.02788	0.1
110.68864	0.1
111.00754	3.7
112.01125	0.1
119.04916	1.8
121.02827	0.6
121.03899	0.1
123.04397	1.8
125.02309	0.3
127.03900	0.3
129.01808	0.3
132.02052	0.4
135.04382	0.2
145.02859	0.1
146.03618	0.2
147.04410	6.0
148.01521	0.3
148.04761	0.5
149.02335	5.0
150.02713	0.2
151.00282	0.4
154.99712	0.1
163.03911	0.5
176.01062	0.6
191.03419	100.0
191.05360	5.0
192.03757	7.4
192.05658	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.6
59.01253	1.5
62.07633	0.2
63.02262	4.7
65.00186	3.1
65.01306	0.5
65.99719	0.6
67.01768	0.5
69.03318	0.3
69.78159	0.8
71.01254	1.0
72.99204	0.2
73.02814	0.4
79.05405	0.7
81.03329	3.9
81.03760	0.3
83.01237	1.5
83.02385	0.3
85.02821	8.5
85.36198	0.2
86.03156	0.2
87.00746	5.2
87.99332	0.2
89.00188	0.3
91.02906	0.3
91.05419	0.6
93.03331	2.6
95.01255	0.3
95.02387	0.2
95.04890	0.2
98.19833	0.2
99.04400	0.3
101.02361	0.3
103.05424	0.7
105.03340	2.7
107.01254	2.4
107.02373	0.3
109.02812	0.4
109.03982	0.4
111.00758	8.2
111.04395	0.5
112.01077	0.5
119.04900	1.8
121.02821	1.1
121.03880	0.3
122.03469	0.5
123.04420	2.0
127.03881	1.2
128.04160	0.2
129.01810	0.4
132.02090	0.3
133.05136	0.2
134.03468	0.4
135.04398	0.6
136.88158	0.2
137.02443	0.2
137.03453	0.2
140.39268	0.2
146.03539	0.2
147.04417	7.4
148.01517	0.5
148.04987	1.0
149.02338	5.7
149.03532	0.3
149.04538	0.4
150.02794	0.3
150.06602	0.3
151.00250	0.5
154.99837	0.3
163.03911	0.6
164.04559	0.6
165.01674	0.2
171.02881	0.4
173.00795	0.4
173.04472	0.5
176.01041	2.2
176.04642	1.2
177.01469	0.3
183.43404	0.2
191.03433	100.0
191.05490	24.0
191.10428	1.0
192.03772	6.7
192.05853	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.6
58.02338	0.5
59.01247	2.7
63.02258	4.0
65.00192	2.7
65.01285	0.7
65.99705	0.5
67.01759	1.0
67.02833	0.5
71.01245	1.6
71.57766	0.6
73.02814	1.0
79.05386	0.7
81.03323	4.9
83.01234	1.7
83.02417	0.6
83.04904	0.9
85.02818	18.9
86.03146	0.7
87.00745	7.2
93.03336	4.6
99.00740	0.7
99.04398	0.6
103.05452	0.5
105.03349	3.1
107.01269	3.0
107.02425	0.7
107.89082	0.5
109.02826	1.2
111.00764	9.9
111.04371	1.0
112.01027	0.6
119.04893	2.2
121.02826	0.9
121.03905	0.7
123.04380	2.2
127.03911	2.8
129.01802	0.8
129.05260	0.5
132.02058	0.6
134.03499	0.7
146.03516	0.6
147.04413	6.6
147.06325	0.9
148.01613	0.7
148.04958	0.7
149.02328	5.8
150.02725	0.7
159.02890	0.6
163.03917	0.9
164.04546	0.8
171.02925	0.8
173.00859	0.5
173.04448	1.4
176.01050	4.2
191.03403	100.0
191.05486	65.0
191.07022	2.1
191.10674	2.2
192.03735	6.6
192.05873	4.1
198.75435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0342
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03336	0.7
57.27703	0.1
58.02847	0.2
59.01251	1.7
65.01328	0.2
65.99699	0.3
67.01761	0.4
68.99692	0.3
69.03320	0.1
70.86318	0.4
71.01243	0.6
72.99207	0.2
73.02811	0.6
77.03828	0.2
77.49142	0.1
81.03343	0.3
81.04427	0.2
83.02388	0.2
83.04901	0.2
85.02825	7.0
86.03176	0.2
87.00747	6.4
88.01106	0.2
93.03343	1.6
104.02573	0.3
106.03967	0.2
108.02042	0.2
108.05564	0.2
109.02839	0.4
111.00764	13.4
111.04403	0.4
112.01101	0.6
117.01836	0.3
118.99183	0.4
119.04909	2.2
120.05356	0.2
121.02843	100.0
122.03167	4.8
123.05515	0.2
127.03912	0.5
129.01810	0.9
135.04449	0.3
147.00833	0.2
147.04419	6.8
148.01523	0.3
148.04886	0.7
149.02342	0.3
149.08261	0.3
154.99689	0.2
163.00304	0.4
163.03889	0.8
164.04616	0.4
171.03047	0.3
173.00848	0.5
173.04454	0.3
176.01042	2.0
177.01782	0.1
190.99808	0.5
191.01875	1.4
191.03459	10.4
191.05547	14.1
191.07013	0.7
191.09210	0.4
191.10687	1.8
192.03773	0.5
192.05907	0.7
208.00990	0.1
209.84814	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1106
Annotation	8-Methylthiooctanaldoxime
Peak:m/z	Relative Intensity
57.03312	0.4
59.01253	2.2
60.97394	4.4
61.98695	1.0
65.01311	1.9
65.26188	0.4
65.99723	1.1
69.82761	2.9
70.44307	0.4
71.04886	0.7
75.97913	0.4
76.27612	0.4
82.03990	0.6
83.02390	0.4
85.58497	0.4
91.02883	0.8
92.02424	0.5
98.20519	0.8
98.74434	0.4
100.07565	2.4
102.03712	0.6
105.04416	0.4
106.03989	1.6
107.02409	0.6
117.03305	0.7
118.04016	1.1
119.02399	1.0
120.05565	0.9
122.03492	0.7
124.11201	1.2
126.05436	0.4
126.12775	16.7
127.13130	1.0
128.41841	0.4
130.04123	0.8
132.05591	0.5
133.05139	0.5
134.03502	0.6
135.02002	0.5
141.86732	2.4
143.04881	0.8
145.05164	0.9
145.06479	3.4
146.03548	0.7
146.07133	0.8
147.05537	0.7
147.06682	1.3
148.05016	0.8
159.87775	1.6
160.11569	9.8
161.04616	1.3
161.11816	0.6
162.06578	1.3
170.11768	4.9
188.11066	100.0
189.05534	1.9
189.07729	1.5
189.11380	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	191.019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43920	0.4
57.03323	7.2
59.01246	5.4
67.01744	2.6
69.03310	1.0
71.01251	2.2
71.29040	1.1
72.99173	1.0
73.02833	1.6
74.76006	0.4
81.03342	1.2
83.01289	0.5
83.04884	1.2
85.02821	52.2
86.03162	1.6
87.00749	56.0
88.01101	0.7
93.03329	7.0
97.02867	0.6
99.04371	0.9
101.05968	0.9
103.03883	0.8
109.02836	1.4
111.00761	100.0
111.04366	3.2
112.01118	3.4
125.73129	0.5
127.03909	4.3
129.01842	5.5
129.05516	0.5
147.04398	0.6
153.01837	0.5
154.99825	0.6
155.03386	0.7
171.02919	1.7
173.00784	1.5
173.04482	2.4
176.01065	1.4
191.01962	9.2
191.05530	92.5
191.10645	1.5
192.05873	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	191.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39694	0.4
57.03323	5.6
59.01254	5.1
59.78412	0.5
67.01765	2.7
70.02625	2.0
71.01241	2.5
72.99181	2.2
73.02796	3.1
73.61842	0.5
74.47106	0.6
75.94672	0.5
81.03333	0.8
83.01268	1.0
83.04903	0.8
85.02822	40.5
86.03164	1.8
87.00748	37.6
88.01084	0.6
93.03337	6.0
94.26402	0.5
99.04417	1.2
101.02341	1.3
101.05995	0.5
109.02833	1.4
111.00762	81.7
111.04332	2.7
112.01125	2.7
117.01810	2.2
127.03905	4.4
129.01823	5.2
129.05556	0.5
129.38120	0.5
130.99725	0.8
148.04033	0.5
154.99733	1.8
171.02919	1.3
173.00847	3.0
173.04478	2.4
191.01927	8.5
191.05533	100.0
192.05911	4.0
200.10320	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1382
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
55.49739	0.2
70.96886	0.7
95.25168	0.2
105.23743	0.2
116.80350	0.2
124.01501	0.4
127.90694	0.3
131.23711	0.3
138.31937	0.3
149.17055	0.2
157.05077	0.4
168.00525	0.3
183.02898	1.4
183.13821	100.0
184.14163	8.4
199.54300	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1382
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
57.03304	0.3
59.01247	0.5
65.01304	0.2
71.01227	0.2
71.58270	0.4
79.20255	0.2
85.02825	0.4
89.01280	0.3
90.00823	0.2
97.02796	0.2
98.02351	0.4
101.02288	0.2
105.04415	0.2
111.00749	0.7
112.03932	0.3
115.02872	0.3
123.04414	0.2
124.01541	0.6
124.03922	0.4
130.03966	0.3
137.09544	0.3
139.00291	0.4
139.03957	0.2
139.11203	0.3
140.01065	0.4
140.07086	0.2
142.04057	0.3
143.04782	0.3
155.04735	0.2
156.05585	1.1
157.05063	1.5
165.05463	0.2
168.00508	0.9
183.02951	3.9
183.06651	1.1
183.13829	100.0
184.06206	0.4
184.14171	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	185.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	16.2
55.30017	0.9
59.88733	1.0
67.05806	1.1
70.02834	1.3
70.40510	4.1
71.01243	3.7
71.04842	1.0
72.00753	1.4
72.04410	4.7
72.04776	1.0
72.99191	1.1
80.34898	1.0
82.02837	1.5
83.01255	3.2
84.04408	2.2
99.00777	1.3
100.03911	1.4
114.09116	1.7
138.09172	2.4
140.10699	21.6
141.09131	3.8
141.10217	46.5
141.12595	1.5
142.10544	2.6
144.02907	3.4
147.13208	1.1
156.10211	2.5
158.03522	1.8
168.10208	100.0
169.10509	6.1
185.11673	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	188.0556
Annotation	AminoDHQ
Peak:m/z	Relative Intensity
50.00218	0.9
50.58752	0.4
55.01753	0.7
56.92307	0.5
57.03314	1.7
58.00478	0.6
59.01240	2.4
68.01283	17.8
68.58458	0.5
69.03329	1.0
69.42550	5.1
71.01250	11.6
71.01614	1.1
72.99179	1.9
73.02811	8.8
75.00747	0.6
80.01286	1.9
81.02055	0.6
81.03326	1.8
82.02856	1.5
83.01253	2.0
85.02818	70.3
86.03156	1.3
86.45251	0.6
87.00745	100.0
88.01080	2.1
89.02312	50.0
90.02646	1.1
97.02814	0.8
98.02350	41.1
99.00760	4.0
99.02703	1.5
101.02319	6.6
103.03883	4.7
108.04420	5.8
109.02825	10.2
109.04797	0.6
112.03912	1.8
115.00277	1.5
117.01776	0.7
124.03907	1.1
125.02328	3.3
126.01823	1.3
127.00285	1.1
127.03886	7.5
128.03415	8.0
129.01834	6.7
147.02910	2.7
152.03497	2.8
153.01810	2.4
170.04494	18.1
171.01526	0.9
171.02890	10.7
171.04547	1.0
171.04802	0.9
188.05557	51.0
189.03906	1.7
189.05875	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55799	0.4
57.03317	0.5
58.02833	0.4
59.01258	0.6
65.01308	1.6
71.01228	0.5
82.02863	0.5
89.01351	0.6
91.69819	0.3
97.02851	0.4
98.02364	1.1
101.02320	0.4
112.03954	0.8
112.98544	0.3
115.02927	0.6
115.17003	0.3
124.01575	0.6
125.64722	0.3
129.04459	0.4
130.03999	1.2
131.03464	0.5
139.07626	0.5
140.01079	0.9
142.04044	0.9
143.04764	1.2
144.04303	0.9
156.04367	0.7
156.05548	3.4
157.05038	2.7
168.00520	1.3
183.02913	4.2
183.04326	0.6
183.06627	2.6
183.13823	100.0
184.06194	0.8
184.14159	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1019
Annotation	(3S)-3-Isopropenyl-6-oxoheptanoate
Peak:m/z	Relative Intensity
50.50603	0.4
51.18306	0.4
55.01766	0.5
57.03319	2.0
57.47600	0.4
58.07023	0.6
59.01235	1.6
61.98699	0.6
65.01316	1.4
67.01742	0.7
69.03328	3.9
70.50704	1.7
71.01254	0.8
80.02534	0.7
81.03339	0.7
82.02843	1.0
83.02374	0.9
83.04890	4.3
84.00746	0.5
84.04419	1.0
84.40578	0.4
85.02837	1.0
85.06458	7.7
89.01350	0.5
90.00845	0.6
90.47331	0.4
93.03329	0.5
95.01268	0.6
95.04896	1.7
96.04445	0.7
97.02827	0.7
97.06464	9.5
98.02381	2.4
99.00788	0.6
101.02312	2.0
110.02396	0.6
111.00744	1.7
111.04384	1.2
111.08031	1.8
112.03923	2.3
115.02911	0.7
121.06477	1.3
123.00774	1.1
123.08028	4.1
124.01553	1.8
124.03975	0.9
130.04001	0.9
136.98729	0.6
137.02405	0.6
137.09622	2.2
138.90016	2.3
139.00241	1.3
139.03925	0.7
139.07587	1.3
139.11180	100.0
140.01030	1.8
140.07094	1.0
140.11522	5.4
142.04004	0.9
143.04810	1.6
152.98183	0.6
155.86545	0.5
156.05574	3.2
157.05090	3.5
165.01840	0.7
165.09143	0.7
168.00546	3.3
169.01096	0.5
183.02901	12.3
183.06570	3.6
183.10164	6.8
183.13795	8.9
184.06076	2.3
184.14204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0185
Annotation	ESCULETIN
Peak:m/z	Relative Intensity
59.01245	1.7
65.01296	0.5
65.99694	0.7
68.01275	0.4
69.44115	1.8
69.44540	1.4
71.01242	1.5
72.99159	0.5
75.00745	0.6
77.03833	0.5
81.03327	2.8
82.02831	0.4
85.02856	0.6
87.00761	0.5
89.03841	9.9
90.04202	0.5
93.03337	1.9
95.04901	1.7
99.00751	0.8
105.03347	16.2
106.03863	0.7
107.04861	0.5
108.02042	0.5
109.02821	0.8
117.03373	0.4
120.04413	0.4
121.02827	2.0
122.02344	0.4
123.04346	0.5
123.40709	0.4
129.01833	0.6
132.02020	0.4
133.02850	31.1
133.06473	1.3
134.03226	1.9
135.03017	0.5
136.03958	0.6
139.03888	0.5
149.02342	5.3
150.02791	0.7
150.05458	0.6
150.06543	0.5
151.05067	0.5
162.03119	4.9
162.04349	0.4
177.01849	100.0
178.02225	6.1
178.04892	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63332	0.2
53.02964	0.2
55.01741	0.4
57.03321	0.6
58.00449	0.3
59.01247	4.1
63.02271	0.3
65.99712	0.2
67.01738	0.3
68.99694	0.4
69.03317	1.7
69.69179	1.5
70.65878	0.2
71.01252	8.4
71.19762	0.2
71.42836	0.2
72.99178	0.7
73.02809	3.0
74.48733	0.2
75.00699	0.3
79.01778	0.4
79.63297	0.2
81.03333	0.5
82.02854	0.3
83.01256	1.9
85.02819	5.7
86.03174	0.3
87.00748	26.0
88.01085	0.5
89.02297	1.8
89.03851	0.6
91.01772	0.3
91.05392	0.7
93.00822	0.5
93.03345	0.9
94.02862	0.6
95.01272	0.8
95.02386	0.3
95.04903	0.3
96.04411	0.5
97.02814	2.2
98.02354	1.0
99.00752	6.8
101.02315	2.6
106.04142	0.6
107.04907	2.4
108.02054	0.5
108.04429	0.6
109.02847	0.9
111.00720	0.4
111.01914	0.3
113.02332	1.5
117.01828	5.1
117.03336	0.9
119.03421	0.3
121.02823	1.0
122.03577	0.3
123.00745	0.7
123.04377	0.5
125.02330	3.7
129.01816	0.6
134.03627	8.0
134.05992	0.7
135.04408	100.0
136.01593	0.4
136.03900	0.8
136.04767	6.5
137.02359	0.5
137.04480	0.3
137.06071	0.2
141.01820	2.4
146.03650	0.5
147.02960	0.3
149.05910	0.3
150.05482	0.6
151.00275	0.3
151.03922	0.4
151.07495	1.5
152.06932	0.3
159.02890	1.2
161.04456	14.5
162.04668	0.5
162.05641	0.4
164.01048	1.3
164.04663	0.4
169.01297	0.3
177.03975	0.6
178.99991	0.4
179.01849	0.6
179.03423	13.7
179.05527	15.3
179.07016	1.9
180.02737	0.3
180.03831	0.9
180.05836	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0553
Annotation	Scyllo-inositol
Peak:m/z	Relative Intensity
57.03311	3.9
58.00470	4.7
58.60641	2.2
59.01250	69.0
68.01303	3.0
68.99621	2.5
69.03333	5.1
70.77203	2.5
70.77547	6.0
71.01251	65.8
72.05867	2.1
72.99166	14.9
73.02817	26.8
73.63166	2.1
75.00744	85.2
80.96410	2.8
81.03334	4.5
82.02868	4.5
83.01250	8.0
85.02819	23.2
87.00754	76.6
89.02316	65.0
91.43392	2.3
94.02875	3.2
96.04438	20.3
97.02829	6.2
99.00747	23.3
99.04347	2.2
101.02334	10.5
106.06445	4.0
107.03664	2.9
108.04432	5.5
113.02341	6.6
117.01817	10.9
119.03384	5.0
119.50254	2.2
122.05996	3.6
125.02339	9.2
131.03409	2.6
134.06007	6.3
135.04440	15.1
135.05367	3.5
136.03944	3.1
141.01846	5.7
143.03378	8.5
161.04472	41.4
161.06944	2.8
179.02089	2.8
179.05534	100.0
179.08128	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	177.0184
Annotation	ESCULETIN
Peak:m/z	Relative Intensity
56.30642	1.0
59.01236	2.9
65.01304	0.9
65.99749	1.3
68.99693	1.4
71.01244	3.4
71.16125	2.2
77.03846	2.1
81.03329	2.7
85.02795	0.9
87.00753	1.6
89.02338	1.6
89.03845	10.5
93.03336	4.7
95.04902	2.0
99.00752	1.5
105.03345	18.7
109.02838	1.0
120.04407	0.8
120.47582	0.8
121.02840	4.6
123.04397	2.0
133.02849	41.7
133.06473	3.1
134.03267	1.6
135.00856	0.9
135.03088	1.3
135.04395	2.9
137.02312	1.3
139.03871	1.7
149.02347	7.6
149.05957	1.6
150.02853	1.0
150.06625	0.9
162.03134	11.0
165.67004	0.7
177.01849	100.0
178.02245	7.7
178.04967	2.2
179.83600	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40596	0.3
50.67937	0.4
55.01756	3.4
56.95469	0.4
57.03325	12.0
58.00432	0.4
59.01245	6.8
60.10812	0.4
67.01761	0.6
68.99673	2.0
69.03320	3.1
71.01252	8.4
71.34339	0.7
72.99178	6.9
73.02818	5.2
75.00749	4.7
77.55994	0.4
83.01254	100.0
84.01585	3.1
85.02818	6.0
87.00745	16.7
89.02312	0.6
93.93668	0.4
95.01266	1.4
96.99142	0.4
99.00751	9.9
99.63395	0.4
101.02322	1.4
103.00229	1.2
111.00797	1.9
113.02316	3.8
115.00250	8.4
117.01830	1.3
127.00253	20.8
128.00583	1.2
129.01813	6.0
139.00284	1.9
140.66673	0.4
145.01373	0.4
157.01324	46.7
158.01630	1.9
175.02390	32.2
176.02762	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91074	5.0
59.01248	36.7
64.97431	5.9
68.99693	10.5
71.00951	5.1
71.01257	61.8
71.05885	11.1
72.99165	14.4
75.00724	7.1
81.05303	5.4
83.01241	17.9
85.02819	8.4
85.06446	6.8
87.00750	100.0
93.03338	12.6
93.53395	5.1
100.98673	90.7
105.22030	5.5
112.85832	6.5
113.05938	6.3
115.00246	85.4
115.03923	9.1
124.98699	9.9
127.97424	62.8
130.99663	9.5
134.03693	5.9
142.99747	11.0
147.01932	5.7
157.01338	8.3
175.02390	19.2
175.03883	14.8
175.06053	15.0
175.07559	12.1
176.00957	7.8
176.03384	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	175.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57832	0.6
59.01247	2.7
65.01321	6.3
65.99731	4.0
66.00824	0.9
67.02883	1.9
68.01283	1.8
69.03322	2.0
69.61687	2.7
69.62102	1.6
71.01241	2.5
72.99196	0.8
73.02821	0.9
80.04932	1.0
81.04446	1.2
82.02778	0.5
83.01255	0.9
83.04897	1.2
85.02820	18.9
85.06461	29.7
85.11992	0.6
87.00745	4.2
91.02876	3.5
92.02422	1.4
92.63883	0.6
93.03284	0.9
95.02395	1.4
101.05961	21.1
102.06290	0.8
105.03229	0.8
105.04469	2.2
106.02831	0.7
106.03993	4.4
107.02413	2.2
108.01972	0.6
109.75592	0.6
113.05967	55.5
114.06310	1.3
115.00270	2.8
115.03889	1.2
115.07519	1.0
116.02431	0.8
117.45772	0.6
118.03965	1.5
121.03973	1.6
122.03506	0.8
124.36365	0.6
127.07539	1.2
129.05467	34.1
129.09116	6.2
130.04030	0.7
130.05771	1.6
131.07033	38.9
132.05595	1.5
132.07376	1.6
133.01599	0.7
133.03951	1.9
133.05081	2.5
134.03511	7.1
135.04333	2.3
145.05133	1.3
147.04306	0.8
147.06642	1.0
148.01472	0.6
148.05049	6.4
149.03409	1.6
149.04514	0.8
157.01311	0.6
157.05061	1.4
163.55472	0.5
174.88907	1.0
175.02490	1.6
175.03873	1.2
175.06407	5.8
175.09673	100.0
176.04597	1.2
176.08461	0.9
176.10011	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	173.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.8
58.00452	0.5
59.01251	4.7
60.99166	1.5
65.01311	0.9
65.03822	0.7
66.67786	0.5
67.01761	19.2
68.02083	0.7
68.99684	0.5
69.03320	4.8
71.01254	10.9
71.04890	0.6
71.06748	0.6
71.07079	0.9
73.02814	2.2
81.03331	2.8
81.22835	0.5
83.01270	0.7
83.04899	3.8
85.02816	2.2
86.23139	0.5
87.00729	0.6
93.03334	91.1
94.03649	3.7
95.01278	0.8
99.00742	1.4
99.04392	1.3
109.02855	3.1
111.00745	1.2
111.04399	13.7
111.08049	1.0
112.04713	0.8
113.02303	1.1
115.03902	0.9
116.02391	0.7
119.02440	0.8
127.03870	0.7
131.33188	0.5
137.02345	3.4
143.07329	0.6
146.03430	1.2
152.69417	0.4
155.03400	3.4
173.04469	100.0
174.04807	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	173.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.4
57.03320	3.0
57.87437	0.4
58.00464	0.6
58.02847	0.5
59.01248	5.0
60.99162	2.3
65.01328	4.2
65.03817	0.9
65.99712	1.6
66.00845	0.5
67.01760	21.6
68.02090	0.6
69.03326	4.4
71.01251	10.6
71.04877	0.7
71.57542	0.8
72.99178	1.7
73.02815	4.5
75.00746	0.6
77.01328	0.9
81.03326	3.5
83.01265	0.6
83.04890	5.1
85.02821	2.8
87.00762	1.2
89.01308	1.2
90.00853	0.6
91.02886	1.0
93.03333	100.0
94.03683	3.9
95.01273	0.6
99.00757	2.0
99.04385	1.6
100.07577	0.5
105.04536	0.7
106.03986	1.0
108.01970	0.9
109.02827	3.0
111.00746	3.4
111.04398	13.2
111.08038	2.6
112.98675	1.3
113.02329	1.7
115.00282	0.6
115.86403	0.5
116.02415	1.2
118.03999	1.0
119.02399	2.1
119.47316	0.5
120.01942	0.6
121.05097	0.5
121.88324	0.5
122.03576	0.4
124.98614	0.4
127.03903	1.0
127.11187	0.4
129.01843	1.0
130.03995	1.2
131.03525	2.1
132.01964	0.6
132.05557	0.9
137.02295	3.0
137.29788	0.5
143.03442	1.0
144.04411	0.8
145.02841	0.7
145.05049	0.6
146.02351	1.0
146.03494	4.8
146.04556	0.5
155.03403	3.8
173.04472	92.4
173.08139	2.0
174.01746	0.6
174.03099	0.8
174.04851	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	173.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39128	0.4
57.03328	3.1
58.00467	0.6
59.01252	5.5
60.99174	2.5
65.01316	1.8
65.03853	0.6
65.99718	0.8
67.01759	20.7
69.03323	5.3
69.25146	1.5
69.25566	3.4
71.01250	10.7
71.04899	0.8
72.99183	0.9
73.02810	3.3
75.00737	0.5
81.03336	3.6
83.01251	0.6
83.04890	4.2
85.02811	2.6
87.00761	0.7
89.01334	0.6
93.03333	100.0
94.03664	5.2
95.01254	0.8
99.00755	1.6
99.04388	2.5
106.04048	0.5
108.02023	0.9
109.02828	2.9
111.00751	2.0
111.04400	13.6
111.08046	2.0
112.04738	0.6
113.02349	1.0
115.00249	0.6
115.03889	0.5
118.04008	0.5
119.02389	1.0
121.02834	0.7
123.00706	0.6
127.03882	0.6
130.03964	0.5
130.08627	0.6
131.03514	0.7
131.08958	1.4
133.41548	0.5
137.02321	3.5
143.03497	0.7
146.03511	1.9
155.03404	3.1
173.04468	88.8
174.03296	0.7
174.04785	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	173.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00184	1.6
55.01758	7.0
57.03325	4.0
58.00496	1.1
59.01247	5.9
60.99158	1.4
65.03827	2.1
67.01759	10.2
68.99689	3.5
69.03319	3.3
71.01250	100.0
71.39680	1.0
71.40010	1.6
72.01607	2.5
72.99182	6.7
73.02819	31.6
74.03152	1.0
75.00767	1.6
81.03342	4.0
83.01249	9.0
83.04899	12.1
85.02823	17.0
87.00755	4.9
93.03331	85.6
94.03674	3.8
95.19704	0.8
96.99192	3.7
97.02823	1.1
99.00754	37.9
99.04379	7.0
101.02310	2.0
109.02842	1.4
111.00761	25.2
111.04407	21.6
111.08039	3.5
112.98686	11.7
113.02361	1.2
115.00246	4.0
124.98699	23.7
129.01820	5.6
137.02353	13.8
140.98198	0.9
142.98621	1.9
142.99759	41.1
143.03401	1.3
154.99742	2.3
155.03410	6.7
173.00883	10.1
173.04468	15.9
173.08112	1.9
173.11739	1.3
174.01509	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	9.7
57.03323	6.1
57.77195	1.8
58.02849	2.5
59.01246	9.5
67.01758	8.0
68.99680	3.8
69.03354	2.2
71.01250	100.0
72.01591	3.2
72.99178	13.5
73.02816	27.1
81.03334	3.0
83.01256	14.7
83.04904	9.3
85.02816	75.1
86.03139	3.9
87.00750	5.4
89.79010	2.1
93.03330	65.3
94.03679	1.8
96.99197	4.2
99.00751	40.0
99.04401	7.8
109.02750	1.9
111.00760	61.8
111.04393	22.6
111.08009	1.8
112.98695	17.3
115.00249	6.3
124.98698	26.1
127.03870	1.9
129.01860	15.4
129.05463	2.4
137.02344	14.3
142.99760	48.0
144.00119	2.1
154.99693	8.7
155.03360	11.1
173.00847	12.7
173.04478	18.8
174.01552	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	173.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35238	0.5
55.01765	0.6
57.03325	3.0
58.00451	0.8
59.01250	4.8
59.97533	0.5
60.99176	2.5
63.29911	0.6
65.01306	2.9
65.03842	0.6
65.99711	1.0
66.00819	0.7
67.01759	23.2
68.02105	0.7
69.03328	4.6
70.32410	2.2
71.00892	0.8
71.01255	10.7
71.04878	1.0
72.99176	1.8
73.02816	5.1
75.00738	0.9
81.03332	4.0
83.01266	1.1
83.04881	4.8
85.02836	3.1
87.00751	1.4
89.01326	0.6
90.00867	0.9
90.06808	0.6
93.03335	100.0
94.03676	4.1
95.01257	0.9
99.00751	3.4
99.04391	2.3
101.02356	0.8
106.03990	1.5
109.02820	2.7
111.00747	2.4
111.04409	16.7
111.08034	3.9
112.04742	0.7
112.98609	0.7
113.02320	1.7
116.02406	0.9
119.02379	1.7
129.01817	0.9
130.03970	0.8
131.03528	1.0
137.02341	5.2
143.03455	0.6
144.04355	0.9
145.01314	1.1
145.02838	1.0
146.02504	0.6
146.03435	2.8
155.03387	4.0
173.04478	78.9
173.08157	1.7
173.11778	1.7
174.01793	1.0
174.04836	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	171.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58369	0.2
55.01742	0.5
57.03338	0.4
59.01244	0.8
61.98693	0.3
69.03302	0.4
69.25865	2.3
70.43398	0.2
71.01253	0.5
71.04894	0.3
72.99177	0.5
78.95786	0.4
83.01273	0.3
83.04883	0.7
84.04397	0.3
85.02834	0.3
86.03185	0.2
87.00732	0.2
88.98697	0.4
89.02312	1.1
90.72712	0.3
95.01214	0.3
95.03226	0.5
95.90551	0.2
96.04410	0.4
96.95867	0.3
97.04784	0.5
97.06474	0.2
98.02330	0.2
98.64306	0.2
99.00732	0.6
99.04411	0.3
99.08035	0.9
99.92451	0.5
104.83908	0.2
109.06480	0.7
109.28631	0.2
110.58226	0.2
112.03903	0.3
115.39335	0.2
123.02692	0.3
123.08022	0.6
125.04212	0.2
125.09602	3.2
127.07558	1.8
127.11176	6.8
128.11543	0.3
128.89941	0.4
130.08627	0.6
130.46303	0.2
141.03726	0.4
144.03407	0.2
144.04465	0.9
153.09070	1.8
170.88333	0.4
171.01907	6.1
171.10178	100.0
171.13565	2.7
172.02269	0.6
172.03879	0.4
172.06129	0.3
172.10539	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	172.0972
Annotation	N-Acetyl-L-isoleucine
Peak:m/z	Relative Intensity
57.03313	1.1
57.21325	0.6
58.02844	1.7
59.01242	2.6
60.99175	0.9
65.01318	5.3
65.03837	0.7
65.99714	1.2
66.00812	1.0
66.42061	0.6
67.01765	12.3
68.99691	0.7
69.03333	2.9
69.63258	4.4
70.08932	0.7
71.01254	6.3
72.99192	1.3
73.02813	4.9
73.57356	0.6
74.63000	0.7
76.70163	0.5
81.03341	1.5
83.01273	0.8
83.04906	3.4
85.02819	1.2
87.00758	0.8
89.01336	1.5
90.00864	1.4
91.02889	1.0
92.63891	0.6
93.03333	49.8
98.19826	0.7
99.00783	2.9
99.04393	1.4
100.63380	0.7
101.25293	0.6
103.01647	0.6
104.02409	0.7
106.03967	1.8
109.02890	0.9
111.00804	1.5
111.04399	8.7
111.08021	2.3
112.98711	1.7
115.92002	0.8
116.02428	1.3
117.97921	0.7
118.04012	1.0
119.02390	2.6
121.02851	0.9
128.10704	2.5
130.04045	3.2
130.08629	100.0
131.03499	1.7
131.09003	4.4
132.05618	0.7
133.02769	0.6
137.02350	2.6
142.99710	0.7
143.03522	0.9
144.04410	2.3
145.01431	1.2
145.02853	1.2
145.04001	1.7
145.05106	4.7
146.03477	5.7
146.07208	0.7
155.03369	2.7
157.02701	0.6
172.02386	0.7
172.03864	1.4
172.05011	1.5
172.06290	3.6
172.09645	10.0
173.04498	28.6
173.08160	1.4
173.11729	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56323	0.3
55.01760	0.7
56.13957	0.3
58.02848	100.0
59.03174	1.7
65.83935	0.3
66.03316	0.3
69.03342	0.9
69.88319	1.8
70.02851	0.8
71.17213	0.4
72.04444	0.3
81.03364	0.5
82.95297	0.6
97.02844	1.4
97.06471	0.7
98.02320	0.4
98.20469	0.6
104.92705	0.4
108.04446	0.4
125.02339	15.2
125.09597	0.7
125.99505	1.0
126.90261	1.8
140.10706	0.7
151.03941	0.5
151.11209	0.4
168.10204	1.1
168.13831	6.7
168.91238	0.5
169.01323	4.0
169.05016	0.8
169.06367	0.3
169.12289	0.7
169.14203	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87026	3.9
53.45360	3.5
54.49063	4.5
57.03328	5.6
62.02050	3.9
66.03349	23.5
69.03319	15.7
71.01262	6.4
71.27122	6.8
72.00780	36.8
72.99175	84.7
73.03925	11.8
74.02356	9.2
76.28867	3.4
78.95781	5.1
80.04930	5.8
81.03307	5.3
82.02856	17.7
83.02375	4.5
84.04408	12.1
85.02826	37.5
93.39098	3.4
94.02857	91.9
95.01234	9.1
96.00796	3.8
96.04424	100.0
97.02818	15.3
98.02374	4.8
104.39615	3.9
108.04430	11.4
109.01581	5.5
109.02822	4.4
109.03920	4.7
110.06008	6.6
112.03935	39.1
122.02365	83.1
124.03933	36.0
127.03899	4.8
140.03433	62.8
140.07059	3.8
141.06584	9.8
142.17181	3.8
149.57182	3.7
153.06581	8.2
159.67574	4.1
170.04527	18.7
171.01823	8.2
171.10159	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	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.4
65.00204	0.4
65.99696	0.2
67.02885	0.2
67.56647	0.2
70.86598	0.4
70.86928	0.2
71.01276	0.2
72.99181	0.2
75.00755	0.2
77.03830	0.5
77.51904	0.2
79.05399	11.9
80.05735	0.5
81.03326	2.7
81.04465	0.2
82.02860	0.2
82.03983	0.6
87.00734	0.2
91.19976	0.1
93.03356	0.4
94.02853	0.2
95.02379	0.3
95.04918	0.2
97.03944	0.6
105.03340	30.0
106.03658	1.9
109.03963	0.3
113.99375	0.2
119.04893	0.6
121.02844	4.9
121.06481	6.2
122.02374	0.4
122.03667	0.8
122.06840	0.2
123.04406	57.0
124.04734	2.9
135.04391	0.5
137.02338	0.5
137.06012	0.3
138.03003	0.2
138.05499	0.3
147.04443	2.2
148.04794	0.2
149.02342	39.6
150.02676	2.5
151.00304	0.4
164.83548	0.3
164.89452	0.2
165.05479	100.0
166.05832	7.4
167.03406	6.7
168.03683	0.4
169.82898	0.2
173.93407	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68374	2.8
55.01513	5.3
55.01760	73.2
56.02082	3.5
57.03326	3.2
57.47397	3.0
58.02832	2.9
59.01223	3.6
65.01309	4.4
66.03361	3.5
68.01257	3.6
68.99703	3.8
69.03320	12.2
69.27726	30.6
70.02863	5.2
71.01247	18.5
72.04415	34.0
72.56710	2.9
81.03340	3.9
81.22615	3.2
82.02855	10.1
83.01231	14.2
84.02027	3.3
85.02807	4.2
90.88331	3.2
96.00771	4.0
97.02824	14.4
97.06415	3.6
98.02380	4.2
98.19762	5.6
99.00738	3.7
107.04929	3.6
108.04425	2.9
110.02325	4.4
111.03171	4.5
123.00761	3.8
124.03878	5.0
125.02364	31.0
125.03315	5.7
125.05996	6.1
125.09591	7.8
125.99451	7.4
126.02921	4.6
129.03185	2.9
135.12540	3.9
138.09093	5.1
140.10713	100.0
141.01865	8.9
141.11044	5.8
142.04034	6.3
142.12238	9.9
153.01724	6.5
167.11792	16.7
168.02995	11.3
168.04285	3.3
168.06480	3.7
168.08839	6.3
168.10204	93.1
169.01329	13.1
169.05037	12.7
169.08513	3.4
169.10558	8.1
169.13402	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	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33148	0.8
56.57450	0.7
59.81768	0.8
62.19985	0.6
71.44872	1.4
72.99181	38.3
73.99525	0.9
74.88593	0.7
75.00779	0.7
77.03827	0.8
81.04475	0.9
91.05442	2.1
93.03318	1.6
93.94011	0.7
95.04917	0.9
97.03968	1.5
97.52049	0.7
101.03870	2.9
109.02791	1.5
117.03308	1.0
119.04913	42.0
120.05255	2.5
121.02842	6.9
122.02369	0.8
122.03542	0.7
123.00743	1.1
123.04414	2.1
124.05094	1.6
135.04431	1.6
137.02350	1.4
138.05557	1.2
147.04416	100.0
148.04767	7.8
150.03140	2.2
151.00310	1.9
165.01903	1.6
165.04192	1.0
165.05479	26.7
165.09135	1.7
166.05901	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	165.0395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.9
56.67712	0.6
57.03317	2.1
59.01245	10.4
65.10096	0.7
69.63679	4.8
71.01257	8.5
72.49394	0.6
72.99181	8.3
73.02826	3.0
75.00745	95.2
76.01064	1.0
85.02814	2.1
87.00749	100.0
88.01092	2.0
89.02305	4.9
93.03342	0.8
94.02850	0.6
98.20569	0.7
99.00762	11.9
101.02325	4.3
105.01814	79.7
106.02164	2.0
108.04440	1.0
112.67723	0.6
117.01801	4.3
119.03377	1.1
121.02799	3.4
123.04420	1.6
129.01826	11.5
135.02855	1.8
135.04391	1.1
137.02376	0.9
138.05513	1.5
147.02898	10.5
163.97357	0.7
165.03958	82.0
166.04095	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	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05595	0.8
54.27001	0.7
57.03312	0.9
57.16006	0.7
59.01241	2.0
65.00175	0.8
65.01307	3.6
65.01614	0.8
65.99712	2.0
66.00849	0.9
66.03346	1.0
67.01738	0.9
67.02890	2.0
68.01282	1.4
69.33117	7.8
70.02868	0.9
71.01236	1.7
72.99187	4.4
75.00735	2.0
77.03838	2.6
79.02876	0.8
79.05399	11.2
80.04929	1.1
81.03313	2.7
81.04457	1.6
82.02870	4.1
82.03982	2.4
83.02380	2.1
84.04399	1.0
87.00724	1.3
93.03344	3.1
94.02866	1.7
95.02390	3.7
95.04916	1.4
96.00812	1.1
96.47838	0.9
97.03938	3.5
98.02316	1.5
98.19819	1.6
105.01825	1.8
105.03339	27.9
107.04876	1.7
108.04407	0.8
109.02852	1.9
109.03947	2.3
119.04913	6.7
121.02844	31.6
121.03786	1.6
121.06477	9.3
122.02328	3.8
122.03355	3.9
122.06005	1.7
122.06806	1.2
123.00759	2.3
123.01865	3.0
123.02982	1.9
123.04408	55.3
123.06674	1.4
124.04945	4.0
125.03455	1.1
135.04413	3.8
137.02319	3.7
137.03305	0.9
138.01945	0.8
138.02966	2.2
138.05527	5.3
138.06502	1.2
139.01363	0.9
147.04427	15.4
148.04779	2.4
149.02336	32.5
150.03099	5.5
151.00275	2.5
164.89508	1.5
165.01863	4.8
165.04132	4.2
165.05472	100.0
165.09148	2.9
166.02658	1.0
166.06052	7.7
167.03407	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	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58693	0.5
59.01248	1.1
63.60670	0.6
65.01314	1.2
65.99720	1.4
66.03361	0.5
67.01759	1.4
68.01289	0.6
69.57239	3.5
69.57645	1.1
71.01240	1.0
72.99178	38.6
73.02816	0.8
77.03861	0.6
79.05412	2.1
81.03303	1.0
82.02838	1.0
82.03958	0.7
83.02345	0.7
85.02878	0.9
87.00757	1.0
91.05408	1.1
93.03336	1.7
94.02877	1.0
95.01228	0.7
95.02373	1.7
97.03918	1.0
101.03849	2.8
105.03347	5.8
109.02840	1.6
109.03960	1.4
117.03344	1.1
119.04913	40.8
120.05259	2.2
121.02837	11.7
121.06487	1.7
122.02364	1.0
122.03212	4.7
123.00784	0.9
123.04403	12.3
130.82117	0.6
133.89349	0.7
135.04440	1.6
137.02344	3.9
137.03305	0.6
138.05495	1.6
147.04414	100.0
148.04759	8.0
149.02341	8.1
150.02647	7.2
151.00282	2.6
151.02727	1.0
151.03905	1.7
162.22600	0.6
165.01839	2.4
165.05475	47.2
165.09151	1.8
166.04773	1.2
166.06120	2.9
167.03427	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	162.0399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.6
57.03314	0.4
59.01249	0.7
66.18650	0.3
70.02834	0.7
70.74742	0.9
71.01240	1.3
72.00373	0.6
72.00777	11.2
72.04416	3.1
73.02813	1.0
81.64768	0.4
82.02865	0.9
85.09532	0.4
87.00760	0.9
89.02306	0.5
93.90048	0.3
98.02322	0.6
98.20460	0.5
99.00752	13.0
100.03914	11.2
101.02325	1.6
101.04280	0.4
116.03413	9.6
117.01821	0.7
117.03747	0.4
118.02831	0.4
118.04980	1.6
119.04926	2.0
134.05977	0.5
142.01360	1.1
144.02921	100.0
145.01376	0.9
145.03293	4.1
162.01848	0.7
162.03954	9.2
162.05345	0.6
163.00346	0.6
163.04097	0.5
163.05989	0.5
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
50.42762	0.5
53.40620	0.5
54.43234	0.6
63.48956	0.6
65.23195	0.5
66.46777	0.5
70.90530	1.6
71.01231	0.6
72.00777	45.0
73.01142	0.8
75.00716	0.7
80.41866	0.5
91.05437	0.9
92.04929	1.0
93.03338	1.4
107.04959	0.7
108.04447	1.3
109.02872	1.0
119.04929	2.4
120.04436	2.2
120.05261	1.0
121.02838	3.6
121.06531	1.0
123.04383	1.0
135.04410	2.8
136.03969	0.8
137.02362	1.7
147.04414	100.0
148.04770	7.5
150.03152	2.2
164.03337	1.0
164.07079	42.2
165.01854	1.4
165.05502	2.3
165.07370	2.7
165.09061	0.8
165.94940	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0398
Annotation	(4R)-4-Hydroxy-L-glutamic acid
Peak:m/z	Relative Intensity
50.06221	0.2
55.01760	1.8
57.03341	0.7
59.01252	0.3
68.16396	0.3
70.02875	0.8
71.01248	1.8
71.15646	0.5
72.00777	11.1
72.04406	3.4
72.99205	0.7
73.01118	0.2
73.02815	1.7
82.02868	0.7
83.01281	0.5
87.00758	0.4
88.58966	0.2
89.02337	0.3
98.02387	0.9
99.00756	13.6
100.01124	0.4
100.03922	11.4
101.02303	1.5
101.04241	0.3
103.00267	0.5
103.03854	0.3
116.03419	9.7
117.01854	0.8
118.04990	1.7
119.04912	0.8
122.90540	0.2
134.06065	0.3
142.01358	1.0
144.02925	100.0
145.01323	0.8
145.03284	4.2
145.04498	0.3
145.04950	0.4
162.03979	9.8
163.00266	0.2
163.02400	0.7
163.04129	0.5
163.06056	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42868	1.6
55.01748	4.6
57.03320	15.4
58.00483	3.6
59.01248	57.9
65.01309	2.7
69.03333	8.4
70.44525	3.1
70.44925	2.8
71.01250	73.6
71.04892	40.3
72.01604	1.9
72.99187	10.6
73.02814	79.9
74.03144	2.9
75.00730	4.6
78.42743	1.3
78.87700	1.4
81.03327	12.4
83.01254	17.9
85.02818	82.9
85.06478	1.5
86.03186	2.2
87.00748	11.2
87.04390	19.7
89.02304	15.7
92.02408	1.8
97.02816	8.4
97.41778	1.5
99.00760	4.6
99.04391	100.0
100.04704	3.7
101.02321	12.0
103.03867	1.5
113.02317	19.1
115.03896	46.5
115.07513	12.9
117.05458	46.3
118.02882	3.2
125.02328	2.6
130.10228	1.6
131.03398	33.4
132.03647	2.3
133.02879	2.5
134.03481	4.5
134.06007	1.5
135.75192	1.5
141.82571	1.4
143.03391	3.1
144.02917	5.8
151.56422	1.5
159.02937	1.8
161.02380	15.1
161.04471	48.7
161.08098	95.6
162.01833	11.2
162.03001	1.7
162.05482	2.4
162.08473	5.3
163.77106	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	161.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94015	0.7
51.15450	0.8
55.01762	1.6
57.03322	3.5
58.00462	2.1
59.01249	20.0
59.98405	0.8
65.01325	4.2
65.99712	2.9
66.00838	1.3
69.03326	3.5
71.01250	30.3
71.04889	41.0
71.07190	1.3
71.07514	1.1
72.05206	1.3
72.99174	2.9
73.02820	24.2
73.03234	1.2
75.00764	1.8
81.03323	3.2
83.01253	6.3
85.02818	23.8
87.00764	2.4
87.04386	19.8
89.02312	5.4
90.12933	0.9
91.02869	2.3
92.02415	2.1
93.00796	1.2
97.02824	1.9
98.02325	0.7
99.00764	1.3
99.04392	100.0
100.04701	4.7
101.02319	3.0
106.03976	1.1
110.62438	0.8
113.02335	5.5
113.05977	1.2
115.03895	47.1
115.07533	12.2
116.03389	1.0
116.04202	1.7
116.07879	0.8
117.05461	47.2
118.04043	1.3
118.05779	2.7
120.01955	1.5
120.04310	1.0
121.02696	2.8
121.03925	0.7
125.02344	1.0
129.01784	0.9
131.03383	9.6
133.02876	1.1
134.03491	7.3
143.03429	1.0
143.04507	1.2
144.02980	4.1
146.03508	1.0
161.02396	5.2
161.04504	15.3
161.08099	98.3
162.01839	1.9
162.05435	1.0
162.06610	1.0
162.08470	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	161.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	6.2
55.01986	1.4
56.56921	1.2
57.03321	10.7
58.00455	2.3
59.01245	42.6
65.01323	6.6
65.99703	2.9
66.00816	1.8
69.03319	3.7
69.64677	2.4
69.65096	5.6
71.01248	38.4
71.02369	40.6
71.04885	12.5
72.00780	7.0
72.04411	5.0
72.99181	3.4
73.02813	51.8
74.03133	1.5
75.00748	3.5
81.03325	9.0
82.02860	8.8
83.01256	10.9
84.02036	2.2
85.02814	49.5
87.00745	5.2
87.04386	5.1
89.02303	10.8
91.02869	2.5
92.02414	3.3
93.00829	2.1
95.02448	1.2
97.02825	2.7
97.03944	27.9
98.02350	72.6
99.00753	16.7
99.02676	1.8
99.04394	24.4
99.05479	1.2
100.03909	5.3
101.02309	5.4
106.03972	1.7
107.02356	1.6
113.02332	12.4
115.03896	8.8
115.05010	100.0
115.07555	3.4
116.03402	5.4
116.05325	2.1
117.03356	1.2
117.05434	10.9
118.02844	2.1
119.02399	1.9
120.01924	2.6
121.02695	3.8
125.02367	1.8
125.03442	9.1
126.01892	1.7
127.17592	1.2
131.03412	18.8
133.02843	5.7
134.03481	12.9
134.05949	1.7
135.01910	1.4
143.04512	90.6
144.02930	27.1
144.04823	4.2
161.02399	11.8
161.04449	33.9
161.05653	11.2
161.08099	20.5
162.01872	5.1
162.03055	1.4
162.05559	1.4
162.08485	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86320	1.3
51.25739	1.2
54.62402	1.3
55.01761	6.6
57.03324	15.8
58.00458	5.7
58.22973	1.5
59.01250	67.6
65.20258	1.3
69.03328	8.6
70.31992	3.6
70.32386	3.2
71.01256	73.3
71.02372	31.9
71.04897	5.4
72.00774	8.2
72.01604	3.4
72.04420	2.9
72.99183	11.7
73.02821	94.6
74.03149	1.8
75.00746	7.2
78.76749	1.2
79.77847	1.3
80.61525	1.2
81.03329	13.6
82.02856	7.3
83.01260	21.1
84.02047	3.0
85.02824	100.0
86.03170	3.8
87.00751	19.7
88.03918	1.4
89.02324	24.6
97.02844	9.4
97.03944	17.8
98.02356	42.5
98.20499	1.9
99.00761	18.5
99.04419	12.1
100.03912	6.5
101.02335	14.9
103.03839	1.6
105.34695	1.3
113.02326	22.7
114.02714	1.7
115.05019	83.5
116.03419	6.0
116.05396	2.7
117.05473	3.5
118.02889	4.3
125.02426	2.0
125.03489	5.3
129.01839	2.3
131.03389	42.2
133.02887	8.2
134.02345	2.2
134.03426	2.0
134.06042	2.8
143.04524	80.9
144.02924	43.0
144.04759	3.2
159.02852	2.2
159.05627	1.6
161.02434	17.6
161.04468	56.3
161.05692	11.1
161.08116	5.5
162.01816	9.9
162.05626	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	161.0558
Annotation	L-seryl-glycine
Peak:m/z	Relative Intensity
51.05524	0.7
55.01759	4.9
55.26952	0.7
56.72558	0.6
57.03316	3.4
58.00480	1.1
59.01247	15.1
69.03322	1.8
70.02834	1.3
70.66704	1.5
70.67070	1.4
71.01255	16.2
71.02374	35.5
71.04878	1.3
72.00781	8.4
72.02715	1.0
72.04424	3.9
72.99177	3.1
73.02814	15.2
81.03329	1.9
82.02863	9.5
83.01254	4.2
84.02052	1.2
85.02821	18.0
86.02341	0.8
87.00746	2.7
88.03906	1.0
89.02314	2.6
89.70024	0.7
89.75944	0.7
93.65577	0.6
95.01286	0.7
97.02917	1.1
97.03951	27.6
98.02354	56.0
99.00755	16.3
99.02668	2.4
99.04398	2.7
99.05512	2.3
100.03922	7.1
101.02322	3.7
106.11475	0.7
113.02345	2.6
115.05016	100.0
116.03434	6.5
116.05363	3.3
117.06593	1.6
118.05023	0.8
125.02557	1.2
125.03456	8.9
130.78297	0.7
131.03377	6.9
133.02844	2.0
134.03439	1.0
142.01425	1.3
143.04520	94.6
144.02928	43.5
144.04672	3.6
145.03204	0.9
145.34105	0.6
155.06525	0.6
161.02324	2.6
161.04434	8.2
161.05612	14.4
161.08138	0.9
162.01816	1.8
162.03989	2.4
162.05611	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50383	0.6
55.01760	1.9
57.03313	1.3
57.93588	0.6
58.02846	85.7
59.01246	2.3
59.03181	2.4
68.99689	0.6
69.03322	0.6
69.59423	0.5
71.01263	2.1
71.14661	1.6
72.99204	0.8
73.02824	2.3
73.47482	0.7
83.01279	0.8
85.02834	1.6
86.05980	2.7
87.00741	0.8
87.04396	3.4
92.26745	0.6
95.04936	0.8
96.04427	3.0
97.02834	0.8
97.06475	1.1
99.00740	1.7
101.02324	1.0
111.00737	0.7
112.03925	2.4
113.02357	0.6
114.05479	0.7
114.09132	3.8
115.07550	0.7
116.07056	100.0
117.07381	4.7
158.08121	17.7
158.10136	0.7
158.89232	1.4
159.02887	1.9
159.08461	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.1
57.03325	3.0
57.34499	0.2
58.00460	0.6
59.01249	12.7
65.01313	3.7
65.99708	1.8
66.00851	0.7
66.03358	0.7
67.02878	0.5
68.01289	0.3
69.03329	1.4
69.67693	0.2
69.68034	1.6
71.01249	13.3
71.04893	0.5
72.00771	0.5
72.01596	0.4
72.99182	2.1
73.02815	15.4
74.03159	0.3
75.00735	1.2
77.01321	0.4
77.03846	0.8
78.42200	0.3
79.02868	0.3
81.03323	2.6
81.04455	0.3
82.02865	0.3
83.01250	4.3
83.01704	0.3
84.01609	0.3
84.02061	0.7
85.02820	20.3
86.03171	0.7
87.00735	2.0
87.02263	0.2
87.04409	0.4
89.02317	3.8
89.03809	1.1
90.00869	0.5
90.02650	0.3
91.02900	2.3
92.01302	0.7
92.02427	0.9
93.00828	0.3
93.04445	0.2
95.01279	0.5
95.04902	0.4
95.06036	0.3
97.02834	1.7
98.20534	0.3
99.00747	1.1
99.04412	1.8
101.02305	2.0
103.03909	0.4
104.02545	1.0
105.03336	2.4
105.04431	0.5
106.04002	0.8
107.02386	1.0
108.01897	0.4
109.03937	0.6
113.02325	4.2
114.02692	0.3
115.01785	1.5
115.03900	0.8
115.05001	0.4
115.07536	0.4
116.02386	0.2
116.03361	0.3
117.01969	0.3
117.03356	0.7
117.05458	0.4
118.02879	0.7
118.04000	0.9
119.02412	1.3
119.03529	0.3
119.04809	0.5
119.06035	0.5
120.01936	2.0
120.04337	0.5
120.05558	1.1
121.02725	2.1
121.04033	0.4
123.04379	0.4
125.02350	0.8
129.01785	0.3
131.03397	7.7
132.02063	10.9
132.03650	0.4
132.05568	0.6
133.02846	100.0
134.03314	8.9
134.06001	0.3
135.01939	0.5
135.03864	0.3
135.05498	1.0
143.03468	0.7
144.02907	3.6
159.02876	0.3
160.01547	0.4
160.84103	2.3
160.89108	1.2
161.02347	61.5
161.04503	11.8
161.05920	1.0
161.08128	1.9
161.89377	0.5
162.01656	0.5
162.02873	4.2
162.05429	0.6
162.06664	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.2
57.03330	0.9
57.43199	0.5
59.01242	1.9
67.01760	0.7
68.99680	0.9
69.03323	0.8
71.57583	0.9
72.00760	0.5
72.99181	1.6
78.51899	0.4
80.04910	1.0
81.03338	2.4
82.02852	3.0
82.03642	0.8
83.01253	2.8
83.04891	2.8
84.04459	0.5
85.02822	1.3
92.04951	0.7
93.03332	5.8
95.01263	2.0
95.04896	13.9
96.04423	1.0
96.05244	0.8
96.95261	1.0
96.95889	15.6
96.96854	1.0
97.99941	0.6
98.02343	1.1
98.05992	0.6
99.04434	0.5
108.04457	3.2
109.02852	2.2
109.06539	0.6
110.02366	1.2
110.03157	10.0
111.00764	1.9
111.04423	2.4
111.08069	1.3
112.03918	1.5
113.02347	1.0
113.05967	2.1
120.19030	0.4
122.90166	0.4
123.00770	1.1
124.03935	6.3
126.05472	0.6
127.00253	1.2
136.03961	4.6
137.02359	1.3
139.03908	100.0
140.01038	4.6
140.04233	6.0
153.86740	0.6
154.01219	0.9
154.02219	1.8
154.04999	4.6
154.06264	22.5
154.90515	1.6
154.99715	1.7
155.03511	2.3
155.06778	2.0
155.10690	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	100.0
56.02090	2.4
57.03310	0.9
58.33259	0.9
59.01223	2.0
64.52379	0.9
65.57275	1.0
67.01748	3.1
67.08191	0.9
68.02397	2.9
68.99686	1.3
70.85317	2.1
70.85667	1.8
71.01247	17.0
72.02786	1.0
74.02345	2.7
81.03334	2.1
83.01254	50.8
83.02345	2.8
83.04894	3.6
85.02806	1.6
93.03326	12.2
99.00744	3.4
99.04463	1.0
100.56078	1.0
107.03658	3.3
108.04453	1.5
109.02817	1.6
111.00776	5.4
111.04391	3.8
112.57710	1.0
114.05486	2.3
123.00742	1.6
126.05459	1.0
127.00261	19.1
128.00623	1.3
137.02327	2.2
140.01100	5.3
154.47081	1.0
154.99763	64.5
155.03429	6.7
155.07036	1.3
155.10786	1.5
156.00093	2.3
156.06558	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	157.1225
Annotation	Nonanoic acid
Peak:m/z	Relative Intensity
52.48570	0.3
53.01057	0.3
57.03308	0.7
58.02841	1.4
59.01249	11.8
61.98688	1.0
64.07642	0.3
65.01318	0.7
67.25018	0.3
68.51431	0.3
68.99682	1.2
69.03337	0.9
69.58408	0.3
71.01245	1.4
71.49843	0.6
72.00759	0.5
72.99154	0.5
74.02343	0.3
75.00745	5.1
81.85893	0.3
83.01266	1.1
83.04895	1.3
84.99196	2.1
85.02823	1.2
85.06470	0.5
86.02348	0.6
87.00752	1.2
89.01331	0.5
90.46440	0.3
95.04911	1.3
96.95885	5.3
97.06451	0.7
98.95452	0.7
99.00764	3.0
102.03358	0.4
111.08027	0.9
112.92139	2.4
113.02262	0.4
113.05979	1.3
113.09567	1.2
113.19172	0.3
114.93288	0.5
114.98782	1.1
115.00245	2.8
115.02859	0.5
115.49074	0.3
116.07062	1.3
127.00259	4.2
128.04895	0.4
130.04015	1.9
130.06477	0.5
131.03523	0.3
139.00282	0.5
139.07523	0.9
139.89151	0.4
140.03398	0.4
156.89314	4.6
157.00127	0.3
157.01308	1.2
157.05046	2.7
157.08678	5.5
157.12244	100.0
158.02379	0.3
158.03511	1.2
158.04645	0.4
158.05986	0.5
158.08138	1.2
158.12579	8.7
170.68915	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76140	1.9
50.93624	2.0
52.81496	1.9
59.01260	5.4
64.47999	1.8
68.57581	2.0
70.65712	4.4
71.01255	31.2
73.02815	22.6
87.00731	9.8
89.02313	100.0
89.16631	1.7
103.03907	4.7
113.63036	1.9
131.03401	12.9
149.04466	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	153.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
62.36011	1.2
66.54356	1.1
69.03322	2.7
70.43599	3.2
71.04890	3.8
72.99169	0.9
81.03330	3.4
83.01240	1.0
83.04886	1.1
88.89481	0.9
95.04896	1.0
96.04411	1.4
97.02878	1.1
97.06464	32.9
99.08031	10.0
100.73201	1.0
107.04893	1.0
108.02093	5.7
108.02710	1.0
108.04440	2.3
109.02830	94.1
109.06459	2.4
109.99989	4.2
110.03163	5.8
112.05042	1.1
122.05350	0.9
124.03937	3.7
125.02355	2.7
125.09616	1.9
136.03937	2.4
137.09598	3.5
137.99496	6.9
138.03206	0.8
151.11090	2.1
153.01837	22.8
153.05460	3.1
153.12750	100.0
154.05022	3.3
154.13084	8.1
162.00098	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92930	0.5
56.42538	0.6
61.10493	0.5
64.01801	0.6
65.01286	0.7
66.12183	0.5
67.80643	0.6
69.53875	4.0
81.52387	0.6
92.88655	0.5
97.06477	2.3
99.08031	100.0
100.08353	5.6
118.03989	2.8
119.02456	0.7
127.07590	1.1
145.05066	0.6
145.08600	33.0
146.08929	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.029
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28914	28.3
59.01232	100.0
65.37948	26.2
70.58006	62.2
71.01250	71.7
72.99158	66.3
75.00734	68.4
85.02831	42.4
90.20927	28.2
103.05814	77.4
120.06570	38.7
147.01889	65.6
147.04459	68.1
148.04993	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	147.029
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28914	28.3
59.01232	100.0
65.37948	26.2
70.58006	62.2
71.01250	71.7
72.99158	66.3
75.00734	68.4
85.02831	42.4
90.20927	28.2
103.05814	77.4
120.06570	38.7
147.01889	65.6
147.04459	68.1
148.04993	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	142.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00190	13.3
55.01768	5.9
57.03316	4.5
59.01244	21.8
67.01766	10.5
68.99667	8.0
69.03316	5.7
71.01252	68.4
71.02381	6.1
71.57836	5.8
71.58193	4.9
72.00776	38.6
72.99181	10.2
80.99690	4.6
82.02850	17.4
83.01283	7.6
85.02818	22.9
87.00746	15.9
96.99182	30.8
97.02850	9.1
98.02375	10.6
99.00764	39.3
100.03901	41.0
112.98708	17.6
115.00252	7.9
116.03387	6.5
124.98691	76.5
125.02328	6.7
142.99753	65.8
143.03453	16.1
143.07088	9.4
143.45082	5.5
144.02930	100.0
144.04428	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	144.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91741	2.5
59.01257	3.1
67.88592	2.6
71.01252	11.4
71.06719	6.1
71.07081	3.8
72.00782	6.6
77.76797	2.8
82.02872	15.5
87.00752	5.0
92.90274	2.7
99.00790	6.8
100.03922	33.1
115.00202	4.7
127.00237	3.0
141.85278	2.4
144.02931	100.0
144.04404	10.4
145.03976	9.4
162.42230	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	144.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01308	9.2
65.99717	4.7
71.01258	6.1
71.09667	5.8
72.00781	8.8
81.03357	3.0
82.02870	14.7
83.04911	4.3
89.01323	8.1
90.00854	7.8
98.02381	3.2
99.00780	4.4
99.02687	2.9
99.07973	2.6
100.03922	34.5
101.05962	4.5
116.02412	9.0
116.03359	2.5
117.01958	4.5
118.04012	8.7
127.21523	2.6
138.56627	2.8
143.03513	9.2
144.01932	14.4
144.02934	100.0
144.04364	27.2
144.05554	6.8
145.01477	6.7
145.02882	3.3
145.03954	7.6
145.05064	13.5
145.08524	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	145.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23489	3.4
55.01751	17.8
57.03328	17.6
59.01247	34.3
71.01251	100.0
71.01649	4.9
71.33585	7.3
72.00774	3.4
72.99175	23.4
73.02818	16.2
74.02372	3.4
80.79478	3.1
83.01254	39.4
83.04904	3.6
84.04451	3.9
87.00744	71.3
87.01260	5.2
99.00745	18.8
100.01072	3.7
101.02321	51.5
101.04265	8.9
101.05967	6.7
102.05489	65.5
104.68587	3.2
105.90296	3.3
106.94021	3.5
115.00249	61.2
118.02871	6.1
127.00255	34.2
127.05101	3.5
128.03426	20.6
145.00313	4.4
145.01382	32.8
145.03191	22.2
145.05048	4.2
146.02414	8.3
146.03436	5.1
146.04472	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	138.0187
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
51.03461	0.4
55.01753	0.9
56.91497	0.4
66.00854	0.8
67.01759	1.4
67.02878	0.8
68.01295	1.0
68.99676	0.6
71.28712	0.9
78.03757	0.3
81.04436	0.8
82.02863	0.5
83.01252	1.0
93.03349	0.8
94.02845	0.8
94.03671	1.7
95.01275	0.7
95.02386	0.9
96.04409	0.6
96.05554	1.4
97.03939	1.3
98.02377	0.6
108.02051	71.2
109.02358	3.8
109.03977	1.0
110.02364	0.9
111.00766	5.6
111.01915	0.4
120.01901	0.8
123.00826	0.4
123.03163	0.6
124.01537	0.4
133.14606	0.4
138.01865	100.0
139.00359	2.8
139.01299	0.4
139.02223	6.7
139.03847	1.8
139.04979	0.8
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
50.47562	1.5
53.00189	9.4
55.01754	2.5
59.01248	7.4
62.56891	1.1
66.91147	1.0
67.01756	2.3
68.99695	3.9
69.03331	4.7
70.02855	3.5
70.34863	4.9
70.90092	1.2
71.01251	34.6
71.02362	1.6
71.04888	1.6
72.00778	28.3
72.99178	3.9
73.02827	4.1
80.99696	2.5
82.02859	15.8
83.01264	2.9
83.04889	2.3
85.02808	9.6
87.00760	12.2
87.04386	2.5
89.01340	1.8
91.69411	1.2
96.99182	15.1
97.02835	4.4
97.03982	1.8
98.02367	4.4
98.19809	2.0
99.00753	27.0
99.04413	3.6
100.03919	29.4
102.05447	1.7
111.00771	5.4
112.98679	14.4
113.02339	1.5
115.00255	6.6
115.03882	1.6
115.05026	2.1
116.02461	2.3
116.03421	8.2
124.98698	43.8
125.02330	5.4
125.99036	2.6
140.98206	4.3
141.27930	1.1
142.01408	1.8
142.99762	47.3
143.03464	6.9
143.04491	2.1
144.02917	100.0
144.04370	5.1
144.06572	2.3
158.99274	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	136.0157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00214	2.9
54.90099	1.4
56.39377	1.4
64.01788	3.1
65.01319	14.7
65.52737	1.6
65.99732	7.4
66.00838	2.5
66.03341	4.8
67.01765	2.5
67.02877	13.2
67.13327	1.5
68.01276	5.1
69.72224	4.1
69.72632	5.0
77.01323	2.1
79.02885	4.9
81.03333	2.2
81.04446	5.6
82.02852	4.1
83.01253	4.9
83.02387	2.2
91.02913	2.0
92.04944	5.5
93.03335	100.0
94.02857	7.3
94.03986	2.6
95.01267	9.2
95.02389	8.5
96.00784	2.3
96.03177	5.1
97.26734	1.4
98.19835	1.9
106.03991	28.9
107.02409	2.0
108.02048	73.3
108.04433	10.8
108.42423	1.8
109.02943	8.8
109.03967	9.6
110.03544	1.9
118.04021	4.1
119.01396	1.4
119.02417	3.7
121.02722	1.8
122.03631	1.6
136.01553	67.7
136.03929	19.7
136.05037	23.0
136.86122	2.4
136.89095	3.1
137.02371	63.5
137.03448	8.7
137.06046	1.5
148.09840	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	133.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.0
64.54686	0.4
69.81899	1.5
70.77502	0.4
71.01249	83.0
72.01583	2.6
72.99177	22.3
73.99525	0.6
87.00750	1.8
89.02320	9.5
109.41151	0.4
109.71986	0.4
115.00251	100.0
116.00591	5.3
133.01317	20.1
133.04980	0.8
134.01614	0.8
134.04643	0.5
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
51.08284	0.9
55.35759	0.8
59.01260	1.6
62.85193	0.9
65.01309	5.7
65.99725	2.0
68.10519	1.1
70.87080	2.6
71.01240	4.4
72.01574	1.5
72.99181	1.5
73.02801	1.9
75.00739	3.5
85.02822	8.5
87.00714	1.2
89.02301	1.0
91.02872	2.0
92.02422	10.1
92.13261	0.9
93.03334	2.9
106.04044	2.8
107.02364	3.4
107.03511	31.0
107.04906	6.7
108.02023	2.4
108.03839	1.5
116.00586	2.1
118.41350	1.2
134.02444	2.6
134.03542	13.9
134.04597	100.0
135.01878	2.1
135.02859	2.2
135.03336	1.5
135.04353	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	130.0863
Annotation	L-Alloisoleucine
Peak:m/z	Relative Intensity
55.35091	0.5
57.03309	1.8
59.01244	2.6
60.66703	0.6
69.03325	1.3
70.84920	1.1
71.01253	12.0
72.66286	0.7
73.02818	24.2
84.08040	0.6
85.02818	5.9
85.06456	1.0
85.36992	0.6
87.04388	5.9
88.03916	0.7
89.01349	0.7
90.58198	0.5
99.14845	0.5
103.02879	0.5
103.03860	0.6
112.17222	0.7
113.02335	1.7
128.44211	0.7
130.03975	3.0
130.08629	100.0
131.03462	5.8
131.09004	5.8
138.47124	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.0
57.01283	1.6
57.03322	12.3
59.01247	10.2
65.01308	11.4
67.02887	4.1
69.03345	2.2
69.69018	5.4
69.69431	6.1
71.01254	45.9
72.99180	3.9
73.02819	100.0
74.03170	2.3
75.00758	2.2
78.99052	2.1
85.02821	63.9
86.03162	2.3
87.00773	2.7
87.04388	3.9
89.01341	9.5
91.02897	7.8
98.19813	3.5
103.03922	2.2
131.03452	31.7
132.05548	4.6
137.04689	1.8
148.03830	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	133.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77845	0.5
59.01247	1.8
59.39557	0.5
69.74374	3.8
71.01253	82.7
72.01569	2.6
72.99180	19.5
73.59275	0.5
79.68729	0.5
87.00749	1.5
87.04433	0.7
89.02316	9.4
92.02228	0.5
98.18554	0.5
106.15553	0.5
115.00256	100.0
116.00615	3.8
119.16322	0.6
133.01318	22.7
133.04948	1.1
134.01698	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00219	3.4
59.01241	4.1
65.01311	17.0
65.99725	7.9
68.01283	3.6
77.01321	2.8
91.02895	5.2
92.01296	3.9
92.02416	5.0
93.00820	3.4
93.03326	2.5
96.47995	1.2
98.20514	2.7
104.54093	1.3
112.42309	1.5
118.03976	4.5
118.92570	1.8
119.02415	21.0
119.03467	6.0
119.04903	100.0
120.01933	16.5
120.04371	3.8
120.05571	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	5.3
57.03316	5.2
58.02842	28.5
59.01241	8.9
66.03371	8.7
69.03328	5.8
69.47653	31.9
71.01258	13.4
71.04893	10.0
81.03328	5.1
82.02860	5.4
83.01247	13.2
83.02354	6.7
83.04892	16.4
85.02819	25.6
85.03943	100.0
86.02351	24.4
99.00755	13.9
100.03924	9.6
110.02356	14.1
110.90720	5.6
126.90314	42.9
126.99417	6.6
127.00270	41.0
127.03889	24.2
127.04961	10.3
127.07535	83.2
128.01262	7.0
128.03407	26.3
128.07022	9.3
128.07867	8.3
130.33182	4.2
140.69505	3.8
149.02545	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	129.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21354	2.9
55.01759	12.7
57.03326	37.2
59.01249	13.4
67.01764	78.9
68.99691	57.0
70.30753	11.8
71.01246	37.0
72.99186	38.5
73.02815	27.5
83.01252	14.1
85.02827	100.0
87.00754	19.6
88.03917	12.2
96.99200	5.2
97.14484	3.8
99.00751	50.6
101.02293	6.6
107.33189	3.4
111.00758	13.4
112.03789	2.9
129.01826	71.5
129.05450	5.8
130.03990	23.4
130.04808	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	116.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	3.5
60.63745	1.3
62.63322	1.3
71.01257	4.0
71.56676	2.2
72.01700	1.2
73.02818	100.0
74.02320	1.7
78.02950	1.5
81.99602	1.4
83.51050	1.4
87.04391	9.3
89.01348	2.5
99.00758	10.3
99.92464	5.6
102.15195	1.5
116.02410	2.4
116.07058	90.7
116.92744	10.7
117.01837	12.5
117.07381	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	117.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	7.8
59.21441	2.1
65.01312	2.9
71.01252	5.2
71.04896	6.7
71.19707	4.1
71.45575	2.0
73.02814	60.0
74.02381	2.1
77.01314	2.9
90.00853	10.0
91.02885	5.5
99.00760	4.7
99.92468	35.9
116.92745	100.0
117.01867	13.8
117.92754	8.6
118.02890	10.5
118.03993	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	1171.7132
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01267	1.2
85.02817	2.1
87.00739	2.1
87.80186	0.4
89.02311	5.4
90.70683	0.4
95.01263	0.6
97.02843	1.0
99.00727	0.5
101.02316	7.3
113.02339	3.9
119.03421	1.8
119.87193	0.3
125.02327	3.7
128.51726	0.3
131.03409	0.4
143.03421	1.1
145.04918	0.3
158.11317	0.5
161.04468	3.5
179.05521	2.6
183.13820	5.6
195.13824	6.5
213.14896	76.8
214.15208	2.1
217.07138	0.6
233.22633	0.4
235.08170	3.9
253.09225	2.8
263.07910	0.5
277.21713	38.6
278.22049	1.7
279.23184	0.6
287.07703	1.1
299.20139	100.0
300.20517	4.8
305.08734	1.1
323.09830	1.3
379.07581	0.4
379.12399	7.4
397.13483	44.3
398.13763	1.7
415.14539	12.6
416.14447	0.6
447.24811	0.4
473.36282	1.7
593.28076	3.9
611.29156	4.1
634.38959	0.4
657.34644	2.6
673.45569	0.4
675.35992	7.6
676.36047	0.5
871.50476	1.4
942.26416	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.712
Annotation	Unknow
Peak:m/z	Relative Intensity
79.91486	0.1
80.04871	0.1
81.03322	3.3
83.01254	3.0
83.04893	7.9
85.02826	2.0
87.00742	0.4
87.50437	0.1
89.02309	3.0
93.03345	0.3
95.01254	0.6
96.95873	0.2
97.02822	0.2
99.00768	0.2
101.02318	8.4
107.06020	0.1
108.04409	0.2
113.02324	3.7
119.03391	1.6
119.21041	0.1
120.01093	0.2
121.02826	0.1
125.02334	0.5
125.07085	0.6
126.05470	0.3
126.44292	0.1
129.01801	0.1
131.03392	0.9
135.04364	0.2
137.02295	0.1
143.03387	1.1
143.08177	0.3
149.04446	2.1
155.03380	0.4
161.04468	3.3
173.04405	0.3
179.03487	0.2
179.05559	0.6
191.03403	0.1
191.05518	0.5
203.05511	0.5
207.14972	1.0
211.21223	0.1
221.06602	1.2
224.17622	1.8
225.16028	11.0
226.16269	0.5
242.18742	0.3
268.16602	0.3
271.02338	0.2
309.21823	0.7
324.26495	0.5
333.22845	0.6
341.29144	0.6
351.24094	0.2
367.27008	1.2
371.20813	1.0
385.28162	0.6
407.33853	0.3
413.21802	2.7
433.31702	1.1
450.34451	1.2
451.32870	9.0
452.33231	0.7
468.35254	0.2
476.32785	0.3
535.38983	0.2
550.43127	1.1
559.40002	0.7
565.44519	0.4
567.45459	0.2
577.40967	0.2
593.43604	0.8
659.48499	3.0
660.49036	0.4
675.47992	0.5
677.49646	100.0
678.49976	10.4
679.50281	0.4
1135.61792	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.8
58.00459	1.8
59.01252	18.1
65.01323	1.3
68.99702	1.4
69.03330	1.8
69.64085	5.0
71.01251	100.0
71.04890	7.8
72.01586	3.6
72.99181	6.4
73.02802	2.6
73.03942	19.2
74.02346	3.5
78.12840	0.8
87.00747	32.2
89.01331	2.8
96.99199	6.1
97.02805	1.9
98.02364	1.3
99.00729	1.1
114.99459	1.6
115.00246	21.0
115.03886	4.0
115.05050	1.4
115.05840	1.2
116.02412	5.4
116.03203	0.8
116.07056	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	1131.173
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01256	2.7
85.25016	1.1
95.01231	1.7
107.01276	6.2
108.02042	1.4
109.02821	3.8
109.99993	4.3
111.00745	3.0
121.02842	2.7
123.00770	3.3
124.01513	1.7
125.02354	2.6
137.02321	1.9
137.99460	1.6
139.00249	5.5
143.04973	1.6
147.04410	1.2
148.01581	2.3
149.02336	2.1
149.99496	1.3
151.00266	26.5
152.00981	2.5
153.98993	2.4
154.99796	4.7
159.04428	2.6
161.02408	1.8
163.00288	3.1
164.01096	1.7
164.42494	1.0
164.98218	1.3
165.99026	5.1
166.99713	2.1
169.01306	3.7
171.04404	1.8
177.01834	1.7
178.99776	20.6
181.98508	2.9
187.03905	4.9
189.01903	1.8
191.05588	1.7
193.01323	1.7
194.99251	2.3
199.03885	2.6
201.01830	2.2
203.03421	6.7
214.02600	1.6
215.03452	4.6
217.01262	1.4
219.02904	2.2
226.02589	1.5
227.03494	3.6
228.04404	1.1
229.01253	1.8
231.02951	4.4
242.02138	2.3
243.02965	14.3
245.04514	3.0
255.02956	23.6
256.03357	1.7
257.00784	2.2
258.01654	1.5
259.02509	3.6
269.00928	2.6
270.01700	2.2
271.02460	56.9
272.02841	5.1
273.03851	1.5
286.01129	2.6
287.01941	34.0
288.02463	2.9
289.03604	2.2
297.00534	2.2
299.01926	12.7
300.02725	86.3
301.03455	32.6
302.03900	2.7
303.01498	3.5
304.01782	1.7
315.01456	60.4
316.02213	25.5
317.02866	11.9
331.00861	1.6
332.01727	20.4
333.02328	6.4
385.07996	2.0
395.05969	1.4
463.08795	2.3
493.09720	2.6
495.07333	2.4
503.08347	3.9
505.09851	100.0
506.10065	6.1
507.10666	1.3
519.08307	6.4
521.09296	41.3
522.09961	3.3
535.07440	1.3
536.08582	2.0
537.08838	67.5
538.09314	3.0
581.07806	1.6
668.67230	1.4
711.57031	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01270	0.8
84.66304	0.1
85.02818	0.2
87.00751	0.3
89.02267	0.2
93.03336	0.2
95.01267	0.6
96.99203	0.2
101.02309	0.2
107.01266	2.3
108.02071	0.9
108.99217	0.2
109.02827	1.3
109.99973	6.2
111.00761	2.5
115.34264	0.2
121.02840	1.2
122.38147	0.2
123.00764	1.3
123.04411	0.2
124.01538	0.6
124.11963	0.2
124.98725	0.2
125.02341	1.1
125.99444	0.3
133.02855	0.4
135.00778	0.7
136.01602	0.3
136.98692	1.6
137.02339	0.7
137.99490	2.5
139.00267	8.5
139.03902	0.4
141.98967	0.6
143.04909	0.3
145.02907	0.2
146.03581	0.2
147.00821	0.2
147.04410	0.2
148.01566	1.2
149.02318	0.7
151.00272	8.8
152.01050	1.1
153.01790	0.2
155.04941	0.4
158.03519	0.2
159.04401	0.4
161.02348	0.6
163.00299	1.8
163.03891	0.3
164.01047	1.5
164.98209	0.6
165.01865	0.3
165.98985	8.4
166.99762	3.4
169.01366	1.1
169.02702	0.2
170.03664	0.3
171.04390	0.8
173.02284	0.3
174.03120	0.5
175.00273	0.2
175.03920	0.5
176.01065	0.4
177.01839	0.4
178.99771	7.9
180.00261	0.5
183.04433	0.5
185.00769	0.2
185.02406	0.5
186.03127	0.4
187.00166	0.2
187.03819	1.2
188.04649	0.5
189.01836	0.6
190.02588	0.4
190.05119	0.2
190.99791	0.3
191.03372	0.3
192.00577	0.5
193.01372	0.3
193.98566	0.9
194.99295	0.8
198.03087	0.9
199.03926	2.1
201.01852	2.0
201.05528	0.3
202.02499	0.5
203.03435	1.4
204.03828	0.3
205.01382	0.2
206.99249	0.6
208.00069	0.3
209.00858	0.3
211.03938	1.0
213.01907	0.6
214.02588	1.2
215.03424	2.0
216.04120	1.0
217.01491	0.3
217.04849	0.2
219.02867	0.2
226.02695	1.3
227.03461	4.2
228.04047	0.3
229.01346	0.6
229.04950	0.6
230.02109	0.5
231.02962	1.4
232.03624	0.5
239.11885	0.3
242.02122	2.7
243.02942	10.4
244.03522	1.6
245.04486	0.8
254.02124	1.3
255.02960	17.3
256.03329	1.4
257.00885	0.3
258.01639	0.4
259.02444	2.7
260.03067	0.5
268.08264	0.2
269.00858	0.5
270.01685	4.6
271.02460	62.0
272.02924	4.8
273.03885	1.1
281.09305	0.3
283.02423	0.7
283.10904	0.7
286.01193	0.4
287.01962	18.1
288.02472	2.8
289.03320	0.3
297.00470	0.4
298.01163	1.2
299.01947	18.9
300.02722	56.9
301.03412	16.7
302.03708	1.3
303.04276	0.2
309.08783	0.4
313.03415	0.4
314.00574	0.5
315.01428	3.0
315.04727	0.3
316.02200	60.2
317.02914	19.8
318.03268	1.0
327.09674	0.4
341.02884	0.6
353.07974	0.2
357.02551	0.2
359.03970	0.2
371.08743	0.2
389.17828	0.2
403.11142	0.2
461.07272	0.2
463.08755	2.0
464.09045	0.2
477.10135	0.3
478.07016	0.2
479.08307	3.3
503.08167	1.2
505.09848	65.3
506.10184	6.9
507.10434	0.6
519.07898	1.0
520.08411	3.0
521.09314	100.0
522.09607	8.3
523.10004	0.4
565.08319	0.4
565.16425	2.7
566.90985	0.2
819.02661	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01254	0.5
93.03346	0.2
98.19810	0.3
107.01269	1.4
108.02055	1.3
109.02863	0.7
119.01282	0.2
120.02068	0.2
121.02827	0.8
123.32939	0.1
125.02355	0.2
133.02887	0.2
134.53250	0.1
135.00746	0.5
135.04372	0.2
145.02841	0.2
147.04404	0.2
148.01575	0.8
149.02354	0.3
149.07748	0.1
151.00266	5.1
153.01883	0.2
159.04417	0.2
161.02388	0.2
163.00285	1.3
163.03856	0.2
164.01018	0.4
165.01813	0.2
169.01302	0.4
171.04294	0.3
173.05888	0.2
178.99776	2.7
183.04411	0.4
187.03871	0.3
189.05441	0.1
190.99814	0.3
191.05457	0.2
192.00546	0.3
193.01315	0.2
199.03949	0.4
201.01822	0.2
201.05585	0.2
202.02731	0.2
203.03462	0.3
211.03941	0.8
215.03394	0.5
216.04178	0.4
226.02632	0.8
227.03441	2.0
228.04004	0.2
229.01387	0.3
229.04987	0.4
239.03493	0.2
243.02942	7.2
244.03433	0.7
245.04539	0.6
254.02127	1.4
255.02951	20.1
256.03354	1.2
266.01962	0.2
271.02457	42.0
272.02942	2.8
273.04010	0.3
283.02396	0.6
299.01974	1.7
300.02722	69.7
301.03442	21.6
302.03781	0.9
361.16495	0.5
445.07739	0.2
463.08737	2.8
505.09842	100.0
506.10150	9.5
507.10217	0.5
549.08868	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.355
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01276	0.4
92.83416	0.2
103.92748	0.2
107.01276	1.3
108.02021	0.8
109.02839	0.8
113.02326	0.3
121.02837	0.6
135.00723	0.4
148.01566	0.7
149.02356	0.2
151.00267	4.7
151.01489	0.2
153.01930	0.2
159.04440	0.2
163.00273	0.7
163.03909	0.3
164.01028	0.3
165.01849	0.2
167.03220	0.2
169.01312	0.7
173.02872	0.2
178.99777	2.7
179.03410	1.3
190.02682	0.2
191.05576	0.3
193.01343	0.2
199.03951	0.3
211.03876	0.6
215.03299	0.2
216.04117	0.3
225.15784	0.2
226.02696	0.8
227.03479	1.4
229.04893	0.2
243.02943	4.3
244.03564	0.5
245.04492	0.4
254.02211	1.2
255.02965	13.4
256.03452	0.8
271.02463	28.9
272.02939	2.3
273.03833	0.4
283.02457	0.4
285.07260	0.2
298.98898	0.2
299.02023	1.0
300.02728	68.4
301.03445	19.7
302.03830	0.9
343.04553	0.7
380.49054	0.2
429.20944	0.3
447.13513	0.8
560.77460	0.2
608.13885	0.3
609.14569	100.0
610.14941	7.9
610.25067	0.2
611.14996	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03838	1.6
81.03343	1.4
83.04892	2.1
85.02837	1.3
87.00755	1.6
89.03845	1.3
93.03334	20.7
95.04914	4.3
98.20647	1.2
105.03343	14.8
106.04122	1.5
107.58456	0.5
109.02837	1.8
111.00732	0.7
111.04398	6.8
121.02819	2.9
123.04359	2.6
127.03828	0.7
129.01817	0.6
132.02083	1.7
133.02844	100.0
134.03645	21.3
135.04413	13.4
137.02338	13.1
139.03905	4.2
149.02345	0.7
150.03076	1.6
151.03940	1.2
155.03389	6.4
157.74236	0.5
161.02426	0.7
171.99969	0.6
173.04463	28.1
174.04884	0.5
177.01840	51.0
178.02618	23.9
179.03419	7.5
191.05521	9.4
211.13292	4.8
223.13326	0.6
229.72528	0.7
277.21759	6.1
283.13416	0.9
308.08939	1.2
309.14929	2.0
327.16037	5.0
351.07135	3.8
352.07910	1.3
581.26172	1.4
673.65039	0.7
707.43567	1.7
823.46155	1.6
841.47583	12.0
842.47748	0.7
867.45099	2.7
885.46436	24.8
886.46246	2.6
958.85632	0.6
1014.13312	0.6
1059.51575	38.9
1060.52112	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	1053.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02823	5.5
80.04918	0.8
83.01249	2.4
85.02814	2.0
87.00755	1.2
89.02314	3.5
93.03311	1.0
95.01273	0.9
96.95879	1.3
99.00733	1.3
101.02322	6.0
104.04945	0.6
106.06502	4.9
113.02321	3.6
119.03394	1.2
120.04415	1.0
120.08133	0.5
121.02831	0.6
122.03597	1.2
122.06002	5.1
123.00797	0.5
125.02323	1.1
130.67102	0.5
132.04410	1.7
134.03687	0.6
134.06006	17.8
135.00797	0.7
135.04350	0.7
135.06345	0.6
136.01576	0.6
137.02322	0.7
146.06026	1.0
148.03966	0.8
149.02324	2.3
149.04474	1.7
150.03143	4.9
150.05484	0.8
151.00243	1.7
151.03871	0.9
152.07080	4.3
158.02377	0.6
160.03937	1.0
160.06326	1.1
161.02290	0.6
161.54579	0.5
165.01817	2.4
165.05443	4.0
166.02629	2.2
167.03319	0.6
173.04422	0.9
174.05521	1.8
175.03853	1.2
179.03360	1.7
179.05341	0.5
180.04175	1.6
180.06465	0.8
181.05005	3.2
188.07243	0.6
190.04973	1.4
191.03409	0.6
191.05499	1.5
195.06535	3.3
211.08633	0.6
213.10294	5.1
219.06146	0.5
221.10991	0.6
223.08636	0.9
224.09511	0.7
225.07460	0.5
225.10307	1.8
226.11078	0.6
227.11787	1.3
235.08710	1.3
237.10246	2.5
239.11856	5.5
241.13354	3.0
247.08717	0.5
249.10349	2.7
250.07454	1.5
250.10922	0.8
251.08261	2.5
251.11891	2.7
252.08975	1.7
253.09784	2.9
261.10190	0.8
262.07486	0.8
263.08081	2.8
263.12289	0.6
264.08878	1.7
265.09842	4.0
266.10599	1.2
267.11411	4.2
276.09146	0.7
277.09805	4.2
278.06998	2.7
278.10571	3.5
279.07736	4.6
279.11331	5.3
285.12430	5.3
289.09641	0.7
291.07690	1.6
291.11343	1.5
292.08542	2.6
293.09296	8.0
293.12903	1.7
294.10040	2.6
295.10788	4.6
296.11322	1.7
305.09201	2.0
306.09677	1.3
307.10873	4.6
309.12485	1.1
312.06287	0.5
314.12482	1.9
321.08868	2.4
321.12286	0.8
322.09583	0.5
328.11084	0.7
333.08859	1.0
337.08298	1.7
337.12015	0.9
339.09891	2.5
340.14581	0.7
342.12091	1.1
343.13162	0.8
351.09723	2.0
354.12344	0.8
356.13858	1.4
357.13885	0.8
358.15643	3.0
368.14157	1.2
370.11710	1.3
370.15729	1.4
372.12952	0.7
372.17102	1.0
373.13223	1.0
382.15515	0.8
384.13126	2.8
384.17712	0.7
385.13913	0.8
396.13315	0.8
397.13931	1.1
398.15048	2.6
399.15704	0.7
400.16580	7.0
403.14758	0.6
410.14963	1.7
412.16675	4.8
413.17575	0.6
417.15680	1.1
424.16342	1.0
425.17459	0.7
426.14124	0.8
440.16028	0.8
451.16995	0.7
458.17050	1.4
459.17206	0.7
468.15701	1.4
475.17578	0.6
486.16425	2.8
505.22571	0.9
563.22522	1.1
613.22815	1.0
636.25439	0.8
647.24097	0.6
648.22180	1.2
662.23456	2.8
666.23431	1.3
680.24567	4.9
690.23120	4.6
691.23785	2.0
708.24152	20.0
709.24658	1.4
722.25006	2.5
727.29755	0.8
740.26550	1.0
754.28381	8.4
769.30621	7.6
771.29535	0.8
785.30426	0.8
787.32990	0.8
795.28558	1.5
801.32996	1.2
803.31470	1.8
809.28009	0.7
813.29840	59.9
814.30084	5.2
827.31482	0.9
835.33844	1.5
845.32477	100.0
846.32947	8.1
872.31293	1.0
877.35052	31.2
878.35480	3.8
887.32599	0.7
935.36389	0.7
945.33606	1.6
967.38678	2.1
977.17334	1.0
977.36743	14.0
978.36420	1.4
1009.39307	15.6
1010.39825	2.1
1053.38794	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99181	11.3
73.02818	1.8
75.00745	1.7
76.55031	0.9
78.95770	11.1
83.01252	3.4
83.04925	0.9
85.02821	5.1
87.00750	16.4
87.83364	0.7
89.02316	10.8
93.03379	0.9
95.01295	1.9
97.02833	2.9
99.00761	5.4
101.02318	16.6
111.00755	2.8
111.04364	0.8
112.98686	12.6
113.02331	8.9
115.00258	22.1
116.55055	0.8
119.03379	3.9
123.04406	0.9
124.98709	2.7
125.02326	4.8
129.01810	1.9
131.03401	1.5
136.93111	1.0
142.99763	33.0
143.03398	2.3
145.01320	1.5
146.76357	0.8
152.99464	3.6
156.00584	2.0
157.01289	1.2
161.04463	5.5
162.04793	0.8
173.00836	8.5
174.01608	19.6
175.02396	33.5
176.02737	0.9
178.94218	1.2
179.05527	4.4
183.13802	6.8
190.94070	0.9
193.12265	1.6
194.93657	4.3
211.13335	100.0
212.13672	3.0
213.14905	0.9
217.07155	1.2
221.06618	1.8
223.13403	3.4
225.14890	1.3
235.08273	4.8
235.13351	1.3
237.14955	1.3
239.12857	1.3
242.16217	0.8
251.12888	1.7
253.09174	1.7
263.12875	4.7
268.97473	5.4
277.21713	53.5
278.22083	3.5
287.07590	1.5
305.08841	1.6
323.09668	1.9
371.00970	1.3
379.12448	11.2
397.13510	43.1
398.13821	2.6
415.14575	10.5
431.21890	2.1
437.63644	0.9
547.01758	0.9
591.26550	14.6
601.40314	0.9
609.27661	9.4
610.27325	1.2
657.34796	3.6
661.27179	1.0
675.35510	6.1
864.81860	1.0
869.49194	4.9
897.47650	1.7
907.47443	3.0
909.49719	1.8
921.48236	2.6
925.47894	14.1
926.48657	1.5
935.50958	1.0
939.50171	2.5
943.48810	5.2
963.49457	1.3
965.47510	9.2
966.48083	1.5
983.48639	5.7
995.49188	1.8
1007.49164	1.4
1025.49597	5.7
1026.48901	1.5
1043.51685	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	1037.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02826	1.8
78.01336	0.6
79.05441	0.8
83.01238	1.2
85.02795	1.7
87.00740	0.9
88.19170	0.6
89.02310	5.4
93.03349	0.7
96.95886	2.2
98.19669	0.8
98.47029	0.7
101.02316	2.2
113.02348	1.2
119.03406	0.7
120.04422	3.6
121.05212	2.4
122.06026	6.3
123.04409	0.7
125.02355	1.3
131.03409	2.1
134.03612	1.1
134.06026	4.4
135.04420	1.1
135.06773	1.4
136.07587	15.2
137.02367	1.1
139.52324	0.7
149.04457	13.9
151.00331	0.9
152.07179	0.7
160.01587	1.1
161.07123	1.5
162.05467	0.8
164.04732	1.0
165.01880	0.7
167.03404	4.0
171.11719	1.7
173.04512	1.1
177.01797	1.0
179.03410	1.1
181.04933	1.0
186.09122	0.8
189.10306	1.7
190.05022	2.7
191.05536	2.3
193.05075	0.7
195.06487	0.8
198.09167	2.9
199.09929	2.1
214.07335	0.8
214.12299	10.4
223.06158	0.7
226.07501	0.9
227.08237	2.9
229.09752	2.9
230.11786	4.9
241.09770	23.6
242.10547	17.2
243.10924	1.1
256.12183	6.9
257.12927	100.0
258.13229	4.1
283.10913	6.7
291.07758	0.7
300.11246	3.2
301.11917	62.7
302.12411	3.3
323.10211	0.8
337.12189	1.2
347.59991	1.1
432.15573	2.0
433.16132	43.0
434.16559	2.0
481.78671	0.8
497.95413	0.7
559.19244	12.0
560.19659	1.5
591.37976	0.7
785.30334	0.9
817.32971	1.7
829.29584	3.2
843.31360	1.6
861.31543	7.2
862.31976	1.0
961.34485	3.1
993.36182	5.5
994.37012	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.5596
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57961	1.3
72.99170	3.8
73.02820	10.3
75.00752	1.0
81.03320	2.3
82.62346	0.7
83.01257	13.2
83.04927	0.9
85.02822	11.9
85.99987	1.3
87.00753	16.2
89.02312	34.6
95.01270	4.1
97.02824	6.1
99.00770	2.7
101.02320	41.3
111.00782	1.6
113.02325	31.9
115.03881	1.3
119.03371	8.2
121.02771	0.9
125.02338	22.3
129.01855	1.0
131.03400	7.5
139.03880	1.0
141.01828	1.3
143.03401	9.4
145.04976	1.1
149.04443	3.1
161.04446	18.0
167.03435	1.5
179.05516	13.0
181.04991	0.9
183.13837	15.2
195.13826	13.0
196.43408	0.7
199.06033	1.3
203.05449	3.9
204.80679	0.7
209.04663	0.9
213.14899	88.3
214.15181	4.0
217.07150	1.2
221.06554	6.5
235.08177	10.2
240.58488	1.0
245.06589	1.1
253.09239	7.4
263.07678	2.0
277.21710	34.5
278.22043	1.2
285.32956	0.9
287.07816	2.7
305.08701	3.1
323.09726	3.6
341.10941	1.3
365.11145	1.4
379.12488	7.3
383.11707	3.9
397.13498	35.4
398.13840	1.6
415.14667	13.2
439.14514	1.3
449.12839	1.0
467.13855	2.4
485.15204	2.4
523.16553	1.2
541.17700	69.7
542.18439	3.8
559.18768	100.0
560.18921	6.7
577.19800	23.6
577.39337	0.8
578.20435	1.6
593.28485	1.2
602.38593	1.0
611.29248	1.5
675.36072	1.4
755.33276	7.1
762.72021	0.9
773.34711	10.0
774.34113	0.9
819.40118	5.6
837.41064	7.1
1033.54626	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	1033.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58450	1.0
71.81521	0.6
72.99168	2.8
73.02813	8.4
75.00735	0.9
81.03328	3.2
83.01255	10.5
85.02827	11.9
85.99975	1.1
87.00749	16.1
89.02316	30.1
92.28348	0.7
95.01273	4.8
97.02824	5.7
99.00749	2.2
101.02319	34.9
107.54471	0.8
109.02827	1.1
111.00747	1.1
113.02326	29.2
115.03873	0.9
119.03381	8.3
125.02344	24.2
131.03409	6.8
133.04977	1.0
139.03880	1.1
141.01778	1.2
143.03391	9.5
145.05003	1.5
149.04440	1.3
154.94878	0.6
155.03403	0.6
161.04466	15.9
165.78929	0.7
167.03365	0.7
169.04878	0.9
171.35643	0.7
177.12733	0.7
179.05533	12.2
183.13832	10.8
195.13820	10.0
203.05611	3.5
213.14900	68.2
214.15193	2.2
217.07121	1.3
221.06602	6.3
235.08218	9.0
245.06709	2.1
253.09267	8.0
263.07675	2.0
277.09314	0.7
277.21719	40.8
278.22055	1.8
287.07684	3.1
305.08722	2.8
323.09796	5.0
365.10663	1.5
379.12540	6.4
383.11600	3.7
385.90152	0.8
397.13501	33.5
398.13831	1.7
415.14600	10.7
449.13080	1.4
467.14026	1.7
485.15158	2.4
523.16895	1.3
541.17725	68.4
542.17847	4.0
559.18774	100.0
560.19244	5.8
577.19781	22.5
578.20398	1.5
611.28912	1.3
675.36005	1.7
755.33612	7.7
773.34406	6.8
774.34418	1.0
819.40741	5.0
820.40826	1.1
837.41174	10.2
838.40845	1.4
1033.54944	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58651	0.4
85.02834	0.6
89.02315	0.4
93.03335	0.7
96.95892	0.6
101.02316	0.7
108.02011	0.3
109.02832	3.3
113.02332	0.5
121.02879	0.8
123.00774	1.4
123.04428	0.4
124.01516	0.7
125.99419	0.3
131.04860	0.3
133.02846	0.5
134.03651	0.5
135.04428	0.9
136.01523	1.5
137.02342	23.5
139.00311	0.6
139.03899	0.5
147.00809	0.7
149.02333	1.5
150.03127	1.1
151.00275	6.1
151.03926	2.7
152.01070	0.6
152.04688	0.7
153.01729	0.6
153.05467	0.5
161.02325	1.0
161.04405	0.4
162.03055	0.5
163.03957	1.3
164.01062	2.2
164.04721	1.5
165.01842	100.0
165.05469	2.0
166.02625	16.6
166.06178	0.4
167.03413	1.5
170.24141	0.3
173.04462	0.7
175.03943	0.7
176.04681	0.7
177.01808	1.5
177.05513	1.0
178.02641	0.9
179.03418	22.3
179.06917	1.9
180.04196	51.3
181.04974	39.5
182.05359	1.1
184.03703	0.4
187.04027	0.7
188.04820	0.4
190.06320	0.5
191.03369	0.9
191.05482	1.0
191.07059	0.4
192.04149	1.4
193.04944	1.5
194.05754	4.0
195.02913	2.6
195.06554	59.8
196.06818	1.7
198.05141	0.4
204.04272	0.4
205.04921	2.5
207.06564	2.0
209.08134	6.7
210.05257	9.9
211.05920	0.9
219.06532	0.5
220.07341	1.5
221.08128	0.5
225.07629	36.6
226.07915	0.9
269.04370	0.4
315.08655	0.3
339.08932	0.4
341.10693	0.3
344.09180	0.4
345.09897	0.6
359.11545	0.6
371.11316	0.6
373.13077	0.4
387.10690	1.3
387.14597	1.3
388.11349	0.5
402.13205	1.2
403.13974	2.1
416.15091	1.6
417.15524	11.0
418.15991	0.6
451.15973	1.8
565.17072	1.7
580.19342	1.2
581.20355	0.8
594.21008	4.1
595.21820	20.2
596.22186	1.7
613.23059	0.4
624.22229	0.5
625.22992	2.2
642.23743	1.8
643.23944	13.3
644.24329	1.0
649.22522	0.8
697.24860	0.9
715.26099	0.8
743.23785	0.6
773.28058	5.9
774.28406	0.9
803.29395	1.9
821.30292	11.0
822.30408	1.8
833.30798	0.4
851.31439	2.2
869.32263	15.9
870.32605	2.7
934.96851	0.4
967.33990	0.5
999.37512	0.6
1031.37537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.5845
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	15.1
72.99184	1.9
73.02828	3.0
81.03334	1.0
83.01264	1.3
83.04896	1.2
85.02835	3.4
87.00744	3.2
89.02311	14.6
95.01271	1.4
97.02832	11.0
97.06503	0.9
98.03127	0.9
99.00755	1.9
99.38193	0.9
99.54971	1.0
99.72828	1.0
101.02320	12.5
113.02348	7.6
119.03390	3.8
125.02327	5.8
125.09652	1.0
137.09618	4.2
143.03383	1.6
161.04465	2.7
165.12752	1.6
171.10178	9.3
179.05513	3.5
183.13840	3.2
188.90689	1.0
195.13840	2.3
197.11700	1.0
211.13310	1.5
221.06862	1.1
221.11765	1.2
223.17041	1.3
227.12872	1.0
233.15453	1.2
235.08159	4.0
239.12909	2.0
247.20628	1.9
251.16545	1.5
260.78564	0.9
277.21701	45.3
278.22092	3.2
287.07681	1.8
291.19684	20.4
305.08804	2.2
309.20694	100.0
310.21021	6.7
379.12546	4.8
397.13486	44.2
398.13791	2.1
415.14621	12.4
496.85648	1.1
675.35773	3.4
689.34186	2.9
690.35040	1.2
707.35236	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	1027.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	24.6
71.06562	1.5
71.06887	1.7
72.99180	2.1
73.02827	5.2
75.00751	1.1
83.01263	2.2
85.02819	7.7
87.00751	6.4
89.02303	9.5
93.03330	1.3
95.01252	1.9
96.95870	4.4
97.02824	1.8
99.00751	2.7
101.02327	16.8
106.06522	5.1
108.04413	1.3
113.02328	10.0
119.03393	4.2
121.95364	1.0
122.06004	7.3
125.02359	2.5
131.03372	4.5
132.04448	1.0
133.02847	1.3
134.06013	18.0
135.04382	2.1
137.02254	0.9
140.18208	0.9
148.03993	1.6
148.07616	1.5
149.06013	1.1
150.05496	1.4
152.07042	4.2
159.02849	1.4
160.07475	1.0
161.04474	6.5
161.05637	1.0
164.07034	2.2
165.01817	2.0
173.04596	1.0
178.05038	2.3
179.03468	1.2
179.05347	1.1
181.28065	0.9
191.05507	2.3
210.07693	1.8
211.08609	1.1
218.08206	2.1
221.06706	4.2
223.08710	2.1
224.09480	1.2
235.08746	2.5
237.10329	4.0
239.11777	1.7
241.09865	2.7
241.13199	1.0
249.06523	1.4
249.10376	2.2
250.07448	2.9
251.08255	3.5
251.11687	1.2
255.11325	1.6
256.12057	2.2
263.08203	2.4
264.08942	1.4
265.09787	11.6
266.10425	1.9
267.11264	1.9
277.09814	5.4
278.10419	1.7
279.11398	3.1
281.09424	1.9
283.10855	2.2
291.07800	1.5
293.09250	3.5
295.10764	1.5
297.12488	1.2
300.11319	2.2
305.09363	3.0
306.10104	1.4
307.11026	1.4
308.08038	1.8
308.11420	1.2
309.08795	7.1
309.12378	2.4
311.10541	1.2
314.12509	1.3
315.13431	1.2
321.08588	1.5
322.09634	1.7
323.10529	5.5
324.11218	1.6
325.11874	4.3
336.11069	1.2
337.11942	3.4
351.09790	1.3
354.12305	1.4
356.13992	1.9
358.11978	1.9
368.14066	1.5
369.10867	3.3
370.15475	1.2
372.17514	1.3
384.13333	2.4
384.17569	1.1
386.14893	1.2
386.19138	1.1
396.13489	1.8
398.15045	2.9
400.12778	2.1
413.13391	1.4
414.14548	2.9
415.15170	2.8
427.15295	2.8
428.15863	2.6
430.17578	1.9
439.23755	1.0
442.18042	1.4
444.19189	1.6
470.17108	1.7
474.16602	2.1
486.20154	1.6
512.18005	1.9
516.17896	2.2
530.19159	2.0
812.28320	1.3
830.30035	1.6
840.28070	1.6
844.30157	1.1
857.28400	2.7
858.29382	21.4
859.29205	2.4
872.30682	8.4
873.29706	1.5
890.30811	1.8
904.33551	11.8
919.36993	2.1
948.32764	1.6
963.35156	78.0
964.35565	10.9
968.39618	1.0
995.37714	100.0
996.38068	17.8
1027.40417	29.1
1028.40210	4.2
1039.85815	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	1021.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	8.7
72.99163	0.7
73.02822	6.1
80.04914	1.4
83.01254	1.8
84.71205	0.7
85.02808	2.1
87.00761	1.5
89.02295	4.2
91.12167	0.6
93.03327	0.8
96.95873	2.7
97.02881	0.6
101.02321	6.0
106.06489	2.5
106.67921	0.7
113.02360	3.1
119.03325	1.0
120.08018	0.6
121.05173	1.0
122.06001	5.5
125.02293	0.8
132.04446	2.5
134.06007	15.4
135.04395	1.3
149.04424	1.3
150.03069	0.9
152.07039	1.9
160.06274	2.4
163.03987	1.0
165.05508	1.3
179.03339	0.9
190.04990	1.5
191.05498	1.4
213.10265	9.6
225.10194	1.3
226.11151	0.8
236.09419	0.9
239.11899	6.6
241.13454	6.1
249.10255	0.8
251.11865	2.0
265.09869	1.1
267.11423	0.9
277.09744	2.6
279.11432	1.2
285.12427	13.7
286.12973	0.7
293.12869	1.6
295.10904	1.0
296.11240	1.2
305.09259	1.9
311.35730	0.7
314.12527	1.4
316.14456	0.8
328.11005	1.7
337.00494	0.6
337.11880	2.0
340.10815	0.9
340.14462	1.6
341.11438	0.9
342.12399	2.2
343.13312	2.3
344.14108	1.3
355.13101	0.9
356.13931	2.4
356.17697	0.9
357.14661	1.3
358.15497	5.0
359.16107	1.3
368.14227	0.8
369.14874	0.8
370.11765	1.9
370.15814	1.4
372.17392	0.8
381.11160	0.8
384.13373	5.4
384.17264	1.1
385.13776	1.1
396.13449	1.9
397.14261	1.6
398.15118	4.2
399.15588	1.2
400.16580	7.8
410.15137	1.5
412.16599	7.9
413.16415	0.8
426.14502	1.7
438.14255	1.0
444.15640	2.5
457.33176	0.8
491.20651	0.7
505.21759	0.9
547.23981	0.9
559.19482	1.7
563.22888	1.1
573.22058	0.8
591.22729	0.9
615.46686	0.7
673.01050	0.8
767.29492	1.3
769.31055	3.8
771.28693	1.3
785.30835	1.6
795.29138	2.4
803.32281	0.9
811.50806	0.8
813.29846	100.0
814.30255	10.9
845.32477	37.9
846.32275	4.9
935.35327	1.4
935.52155	1.0
945.34045	5.1
977.36523	18.3
978.36743	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	1003.5396
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81550	18.1
69.81967	7.9
71.01268	10.4
89.02320	8.8
91.33387	4.3
94.30671	4.1
101.02328	8.5
111.07275	4.1
124.12437	4.0
134.42972	4.2
146.43915	3.8
146.61263	5.2
179.05548	7.2
255.23260	7.1
277.21686	31.2
285.38925	4.4
291.19559	10.4
292.19812	5.8
309.20703	100.0
310.21280	8.3
322.85431	4.4
327.98856	5.6
397.13474	47.1
415.14398	16.9
419.65155	5.2
689.33832	9.0
967.56183	8.0
1003.54462	42.8
1004.54669	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	1013.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
71.45104	0.3
71.56363	0.2
73.15524	0.2
74.49227	0.2
83.01250	0.5
90.06749	0.2
93.03344	0.3
107.01263	2.0
108.02045	1.1
109.02851	0.9
115.11275	0.2
119.01258	0.3
120.01390	0.2
121.02837	1.2
135.00749	0.4
148.01556	1.0
149.25209	0.2
151.00264	7.2
152.00883	0.4
161.13290	0.2
163.00296	1.5
164.00964	0.4
167.41830	0.2
169.01352	0.6
178.99780	3.3
183.04384	0.3
192.00502	0.3
199.03906	0.5
201.01959	0.3
201.05518	0.3
203.03432	0.4
211.03934	0.6
215.03438	0.6
216.04149	0.6
226.02657	1.1
227.03435	2.2
228.03897	0.2
229.05002	0.4
243.02954	7.7
244.03482	0.7
245.04527	0.7
248.94250	0.3
254.02176	1.6
255.02956	22.3
256.03296	1.4
271.02457	49.6
272.02902	3.1
273.03976	0.9
283.02402	0.7
297.03894	0.2
299.01962	1.6
300.02722	93.9
301.03436	26.3
302.03888	1.1
330.02185	0.2
335.43372	0.2
341.02881	0.4
342.03232	0.3
463.08832	4.7
464.09158	0.5
503.09033	0.3
504.08865	0.3
505.09842	100.0
506.10153	7.3
507.10443	0.4
549.08801	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06586	3.7
70.56487	1.3
70.56852	1.1
71.04970	0.7
73.02923	0.9
76.74218	0.5
79.05495	1.1
79.12001	0.5
80.05005	0.5
81.03419	2.6
82.06577	0.7
83.47773	0.6
84.08154	1.0
85.02907	5.5
86.09701	0.9
87.04443	0.5
91.05487	1.2
93.07037	1.9
94.06573	2.4
95.07360	1.0
96.08124	2.7
97.02891	2.9
99.04434	0.9
105.07027	1.0
107.07349	1.2
108.08102	6.1
109.02863	1.1
110.09681	5.2
118.06576	0.6
119.04939	0.6
119.56414	0.6
120.04493	2.0
120.08111	5.9
122.06031	4.9
122.09680	2.4
124.07581	1.3
127.03906	1.7
134.06058	0.9
136.07570	8.1
137.05974	1.2
137.08321	0.7
138.05528	1.1
138.09126	7.5
144.04430	1.0
145.06543	0.8
146.06012	1.2
147.04442	1.0
148.07573	4.2
150.05482	0.5
150.09131	5.2
152.07114	2.3
152.10738	0.6
160.03992	0.6
162.05487	0.9
162.08974	0.5
163.03899	0.6
164.07089	1.5
166.08630	21.3
167.07048	1.2
172.03891	2.8
173.06018	0.6
174.05536	0.6
177.05511	1.9
181.04967	0.6
190.05057	1.7
191.06947	0.6
194.08252	1.6
197.10872	0.6
204.06522	4.3
207.06535	0.8
209.08437	0.7
209.10800	1.1
212.09421	0.9
213.10291	0.8
223.08740	0.9
223.12326	0.7
224.09410	1.1
225.10297	2.7
226.10789	0.8
227.11839	2.5
234.63441	0.6
235.08690	1.3
236.09273	0.9
237.10217	6.8
238.10910	1.2
239.08270	0.9
239.11740	3.7
241.09789	0.8
241.13223	0.6
243.11211	0.5
245.12944	0.6
248.09328	1.4
249.10210	5.1
250.11034	1.9
251.08223	2.0
251.11833	6.1
252.08931	1.0
252.12637	1.5
253.09734	3.3
253.13535	1.1
254.10648	1.0
255.11304	3.0
261.10266	2.9
262.10947	0.7
263.09152	0.8
263.11755	4.6
264.08932	1.7
264.12570	0.6
265.09711	8.7
265.12933	0.8
266.10397	1.1
267.11258	5.2
267.13824	0.7
267.15137	0.5
269.12958	2.0
271.10904	0.7
273.12381	1.0
277.09781	3.3
278.06796	1.4
278.10571	4.2
279.07727	1.6
279.11267	12.9
280.11990	2.3
281.09271	2.4
281.12689	1.5
283.10779	4.6
284.11401	1.0
285.12405	1.8
287.13962	2.1
289.09769	8.7
290.10397	0.8
291.11319	3.5
292.08356	1.2
293.09250	5.3
293.12930	4.5
294.09912	2.8
295.10852	4.3
296.11545	3.0
297.08932	1.0
297.12408	3.2
299.10391	1.0
299.13870	1.3
301.12009	0.8
305.09070	0.6
306.09750	1.2
307.10684	4.8
308.11502	1.1
309.12268	5.7
310.13043	0.8
311.10336	4.3
311.13983	3.0
312.10971	3.4
312.14450	0.7
313.11798	3.0
314.12616	1.6
315.13385	1.0
317.09357	0.9
321.08612	0.8
321.12225	1.2
323.10355	3.0
323.13904	1.7
324.10913	3.2
325.11880	7.0
326.12662	1.8
327.09882	0.9
327.13327	4.4
328.14566	0.8
329.15237	0.6
335.10239	11.1
336.10962	1.0
337.11975	2.8
339.09720	1.2
339.13379	30.7
340.10437	2.9
340.14169	1.2
341.11411	3.7
341.15228	1.4
342.12225	0.8
343.13248	1.2
349.12057	0.8
351.09857	2.1
352.10486	2.3
353.11252	7.4
353.15152	0.8
354.12119	3.8
355.12854	12.0
356.13455	1.6
357.14578	2.4
366.12109	1.0
367.12881	31.8
368.13467	1.0
370.15698	1.0
373.13870	0.6
384.13089	0.8
385.13818	1.4
386.14725	1.1
388.16226	0.7
398.15063	2.1
399.15765	2.6
400.16486	1.4
402.18475	0.9
416.16138	1.8
428.16220	0.7
430.17905	0.7
432.19363	1.0
442.17712	1.5
444.19321	1.1
446.17212	1.2
447.17850	0.7
458.17081	2.5
460.18723	4.1
470.17072	0.6
474.20566	1.3
478.19803	1.4
479.20560	0.9
487.17474	1.0
488.18198	9.2
490.19730	1.0
492.21393	2.1
502.19858	0.9
506.19150	4.7
520.20782	10.7
521.21136	0.8
537.20959	1.0
538.21417	2.0
551.22534	0.7
552.23560	3.4
611.24890	8.2
641.25934	1.1
642.26489	1.3
643.27704	4.1
650.23383	3.4
657.25647	0.7
682.26007	30.1
683.26477	1.1
700.26923	0.9
714.28406	2.5
715.29150	0.7
773.29871	4.7
804.31488	0.8
805.31885	1.3
812.28668	6.7
826.30505	0.8
830.29010	0.7
844.31274	100.0
845.31396	4.7
862.65778	0.8
876.33875	8.7
877.33801	5.1
935.34485	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03409	1.6
69.64165	2.8
70.06573	1.4
71.04970	0.4
79.05489	0.9
81.03398	0.9
81.07036	0.7
82.06592	0.5
84.04494	0.5
85.02892	2.4
86.09661	0.7
88.16296	0.4
89.03925	1.1
91.05461	1.3
92.46183	0.5
93.07014	1.4
94.06547	2.5
95.04966	0.7
95.07320	1.1
96.08129	4.3
97.02870	1.6
97.06518	0.7
105.06988	0.5
106.06521	0.9
107.07349	0.4
108.08096	3.6
109.02876	0.8
110.09671	5.8
116.04951	3.0
120.04482	0.4
120.08096	3.9
122.06028	5.8
122.09637	0.5
124.07597	4.2
127.03899	1.0
132.08160	0.4
134.06003	0.9
136.06613	0.7
136.07567	6.6
137.05933	0.7
138.09132	7.3
140.07033	0.8
144.04440	8.9
145.04933	0.5
146.05978	3.4
148.07542	2.7
150.05457	1.0
150.09149	1.3
152.07066	1.5
160.03915	0.8
160.07587	0.5
161.06013	0.5
162.05525	4.7
164.06973	0.6
166.08633	16.1
168.06544	1.2
172.03926	61.7
173.04247	0.7
174.05449	1.1
176.07042	0.5
177.05464	0.6
178.08672	0.4
182.08160	0.8
185.10735	1.2
190.04985	16.5
192.06525	0.8
198.09157	1.1
199.08714	0.5
201.10201	1.9
204.06551	100.0
205.06790	1.3
206.07999	0.6
207.06592	0.7
212.10744	1.3
213.10216	1.7
213.13580	0.4
214.10915	0.6
215.11804	1.2
222.07555	0.8
225.08276	0.4
225.10126	2.3
225.59517	0.4
226.08650	0.6
226.10806	0.7
227.08173	1.4
227.11783	0.8
228.08902	0.5
228.12526	1.0
229.09700	1.6
229.13202	0.7
239.11758	1.1
240.10243	0.7
241.09689	4.0
241.13353	2.5
242.08086	0.5
242.10504	6.4
243.11308	3.7
244.12030	1.0
251.11880	1.0
255.11090	2.3
256.12073	5.9
257.10266	0.8
257.12833	7.1
258.11172	0.9
258.13593	1.3
267.11188	1.2
272.12717	0.6
273.12323	0.5
279.11243	1.8
281.12830	0.8
283.10852	0.6
284.11554	4.6
285.12341	2.9
287.10202	1.2
289.12265	0.7
289.15225	2.5
297.12363	2.0
299.13800	0.6
302.12637	2.6
307.10620	1.1
308.11502	0.4
315.13309	1.4
316.08228	0.5
317.14944	79.6
318.15457	0.7
325.11798	11.2
329.11298	1.0
329.14929	2.7
334.09186	3.2
339.13412	1.9
341.14737	0.9
343.12888	4.3
357.14426	42.1
358.15048	0.7
359.15826	0.5
366.11835	0.9
379.31042	0.5
426.58868	0.4
469.16064	1.9
476.18161	1.7
483.17407	0.5
487.17093	11.9
488.17792	1.7
505.18109	1.2
508.20602	1.1
519.19794	3.4
597.26935	1.5
609.23114	1.2
618.93915	0.4
621.22736	0.5
623.24615	0.5
627.23676	0.5
641.26050	15.7
642.26349	0.7
649.21899	1.0
673.28833	3.8
679.52167	0.5
681.24664	0.8
759.32062	1.1
771.28082	0.8
785.30060	0.7
803.31165	5.4
835.33527	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	9.3
70.06549	1.4
71.04951	0.5
71.11971	1.0
72.30711	0.5
73.02868	1.5
76.64445	0.5
77.54356	0.5
79.05447	1.6
80.04975	0.8
81.03416	4.1
83.01269	0.6
85.02898	14.3
86.09657	0.5
87.04427	0.9
91.05421	1.2
93.05758	0.8
93.07014	3.3
94.06563	4.8
95.04908	1.0
95.07330	2.7
96.08125	8.1
97.02882	6.8
99.04398	2.1
101.02364	0.4
103.05423	1.4
106.06515	0.6
107.07263	1.3
108.08111	12.5
109.02850	2.7
110.09671	12.4
117.06923	0.5
120.04408	0.8
120.08099	11.4
122.06024	15.0
122.09685	2.2
124.07535	1.2
127.03930	3.2
132.07964	0.6
136.07564	17.6
138.09131	18.8
145.04900	1.1
147.04323	0.5
148.07564	6.5
150.09148	5.0
152.07027	1.4
162.09100	0.6
164.07028	1.2
166.08627	32.2
167.06973	0.7
174.09070	0.6
177.05440	0.7
178.08481	0.6
190.08565	0.5
191.07074	0.5
192.06563	0.7
194.08105	1.3
197.10657	0.7
204.06485	0.8
207.06483	0.5
208.09929	0.7
209.10724	4.0
210.09158	0.5
211.08658	1.0
221.07161	0.6
221.10735	1.1
222.07718	1.2
222.11296	0.6
223.08612	1.4
223.12248	1.6
224.09407	0.7
225.10226	3.2
226.10764	0.6
227.08061	0.6
233.10747	0.7
235.08655	5.8
236.09395	5.8
237.10205	22.4
238.10779	2.0
239.08099	1.4
239.11708	1.9
241.09677	1.0
247.08649	0.6
248.09373	1.4
249.10207	25.5
250.07327	0.6
250.11000	6.1
251.08145	2.3
251.11763	10.5
252.08905	1.6
252.12659	0.8
253.09735	4.9
255.11266	1.7
261.10178	3.5
262.10992	1.1
263.08197	3.8
263.11774	2.8
264.08936	14.6
265.09714	15.1
265.12729	1.0
266.10577	2.5
266.13507	0.5
267.11295	8.3
268.11972	0.6
269.09091	1.7
269.12698	0.7
271.10730	0.9
275.08078	1.0
276.08759	1.4
277.09717	24.0
278.07169	0.7
278.10425	9.2
279.07736	2.8
279.11237	25.7
280.08417	1.7
280.11887	2.4
281.09180	5.9
281.12518	0.8
282.10211	2.2
283.10782	2.2
284.11490	0.5
285.12424	1.0
289.09738	2.2
291.07599	3.5
291.11243	2.7
292.08475	7.0
292.11667	1.2
293.09161	44.2
293.12769	12.5
294.09763	2.7
294.13232	1.0
295.10745	7.7
295.14117	0.6
296.11365	1.0
297.08627	1.4
297.12305	1.6
298.09531	1.3
304.08432	1.1
305.05603	0.9
305.09177	20.3
306.09915	2.7
307.10754	25.0
308.11255	0.9
309.08633	7.1
309.12299	6.9
310.09433	1.7
310.13184	1.6
311.10220	5.6
311.13870	1.8
312.11057	2.5
313.11856	6.0
314.12698	1.1
319.10739	1.7
321.08704	0.7
321.12213	2.5
322.13062	1.5
323.10257	16.9
323.13531	0.7
324.10840	2.5
325.11847	9.3
326.12823	2.2
327.05463	0.5
327.13467	4.4
328.14322	1.0
333.08664	13.3
333.12595	0.9
335.10220	1.5
336.11096	0.5
337.11786	7.0
338.12820	2.3
338.16330	0.7
339.09775	1.5
339.13391	15.9
340.10632	0.7
340.14182	2.3
341.11252	0.8
341.15082	1.9
342.12247	1.8
342.16013	1.1
343.12897	2.8
343.16586	0.6
344.13800	1.0
344.17627	0.6
345.14462	0.7
347.10245	0.6
347.45175	0.5
350.12720	0.6
351.09744	70.3
352.10455	2.7
352.14368	0.8
353.11279	4.5
353.15170	3.1
354.12106	2.8
354.16055	0.7
355.12921	8.5
356.13876	2.4
356.17676	0.9
357.14572	1.7
358.15677	0.8
364.14209	1.2
365.11279	6.6
365.15421	0.8
366.12097	20.6
366.15607	0.9
367.12836	3.4
368.14020	4.4
369.14539	4.3
370.11545	3.2
370.15262	2.4
371.12372	18.5
371.16153	0.7
372.13058	1.6
372.17279	1.1
379.12970	0.9
380.13861	0.9
381.10559	0.9
382.11612	2.4
382.15720	1.8
383.12338	28.4
384.12830	3.0
384.17517	2.3
385.13876	10.7
386.14490	2.5
387.15582	1.6
390.18378	0.7
392.13895	1.4
395.12161	0.5
396.13315	1.5
397.13922	7.7
398.14377	4.6
398.18805	2.0
399.15399	3.2
400.16666	1.8
402.18448	0.8
410.14957	1.7
412.16772	3.2
414.13885	1.1
414.18832	0.9
415.15186	1.3
416.16104	0.7
417.16483	0.9
418.17535	2.7
426.13840	0.9
428.15958	4.4
429.16580	0.6
430.17624	1.8
432.19360	0.8
438.14383	6.0
439.14645	0.6
440.16058	0.6
442.17746	1.6
444.14627	1.1
444.19437	1.6
445.16599	0.9
446.17059	13.2
447.17429	0.9
448.18512	0.6
456.15524	11.4
457.15994	0.7
458.17093	5.7
460.18481	2.5
462.20230	1.7
463.17120	1.0
464.18677	0.7
468.14923	0.9
470.17468	0.8
472.18198	0.8
474.20355	1.4
476.18076	9.8
477.18994	1.1
478.19864	6.1
486.16452	5.0
488.18085	6.8
490.19641	4.1
491.20441	1.1
492.21170	0.9
504.17191	4.0
508.20782	2.5
518.19141	9.1
519.19855	6.0
520.20679	1.7
522.22595	1.3
536.20264	50.2
537.20636	3.0
550.21869	14.5
551.22552	8.6
563.22998	0.7
591.22168	1.4
595.25305	0.7
608.22577	0.9
609.23431	8.2
623.25372	4.3
638.24103	0.6
640.25433	0.6
641.26019	44.8
642.26501	1.8
644.22229	0.7
649.21558	0.7
662.23016	1.3
664.24921	1.0
666.22919	0.8
680.24487	14.7
681.25269	7.5
682.26019	0.9
698.25159	3.6
699.26318	1.8
712.27167	1.6
713.27850	8.2
730.26398	0.6
771.28601	2.8
802.30664	2.8
803.31232	6.2
810.27722	1.4
811.27759	2.7
814.30884	0.9
824.28308	1.0
825.29761	0.6
842.29755	26.9
843.30493	44.0
844.31165	3.2
874.32318	13.2
875.33112	100.0
876.33466	4.9
965.36340	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	11.1
70.06583	4.2
70.21642	0.8
71.05000	1.1
71.59223	0.9
73.02914	2.7
79.05496	0.8
80.04990	1.0
81.03413	5.5
81.07054	1.2
84.04485	0.9
85.02900	14.5
87.04469	1.2
91.05482	2.4
93.05792	1.8
93.07027	1.2
94.06564	3.9
94.31203	0.8
94.32813	0.8
95.08604	1.1
97.02886	7.4
99.04462	3.0
107.04959	1.1
108.08103	15.4
109.02869	2.9
119.04951	1.1
120.08108	2.7
122.06026	3.3
127.03892	3.2
136.07565	20.7
136.08545	1.5
137.05984	1.6
147.04405	1.5
148.07562	2.9
150.09091	2.0
152.07047	1.4
162.05460	1.0
162.09145	1.1
163.03859	0.8
164.07018	3.8
166.08632	1.6
167.07056	1.8
173.06122	0.8
174.09039	1.0
177.05463	1.8
204.10138	1.6
207.06528	3.3
225.10344	1.1
235.08641	1.8
236.09462	1.2
237.10278	2.4
239.08459	1.0
239.11716	1.4
247.08672	1.8
248.09433	2.6
249.10214	8.7
250.11093	1.0
251.08173	1.6
251.11734	1.7
253.09769	1.8
261.10248	3.2
263.08142	1.2
263.11771	1.4
264.08896	2.0
265.09708	7.1
266.10538	1.6
267.11264	2.0
276.08954	2.8
277.09665	12.5
278.10464	3.2
279.07892	2.1
279.11279	7.0
281.09531	1.4
281.12897	2.1
289.09778	1.8
291.08109	1.4
291.11215	4.0
292.11893	1.3
293.09149	4.4
293.12845	3.9
295.10724	2.5
298.13306	1.1
304.08481	1.3
305.09222	7.6
306.09744	1.6
307.10730	7.5
309.12289	1.7
311.10303	1.2
314.13031	1.2
315.04974	1.0
315.13531	1.2
319.10733	11.2
321.08725	2.2
321.12369	1.6
323.10345	2.4
325.11923	1.8
326.12769	2.4
326.16449	1.1
327.14059	1.4
328.14545	1.9
333.08826	4.4
335.10083	1.3
337.11996	2.0
338.12933	3.3
339.09885	2.2
339.13519	2.0
340.10876	1.9
340.14462	4.4
341.11761	1.5
341.15536	1.1
342.16052	2.8
347.10223	3.3
351.09683	5.5
352.14697	1.8
353.11270	3.8
354.12271	5.7
354.16214	3.2
355.13135	3.1
356.14008	4.2
358.15314	1.5
364.14490	2.2
365.11255	9.0
365.15466	1.1
366.12128	4.6
367.13141	6.3
368.09985	1.3
368.13998	10.1
369.14771	3.5
370.15561	6.9
372.17233	1.2
379.12967	2.3
380.09763	1.0
380.13910	4.8
381.14801	2.4
382.11273	5.4
382.15958	7.9
383.12540	3.7
383.16702	1.5
384.12665	3.9
384.17145	2.5
386.14798	1.5
392.14059	1.2
394.11783	2.5
394.15958	1.8
395.12637	4.9
396.13318	13.2
396.17218	1.1
397.13995	3.2
398.15002	9.1
400.17114	4.8
402.17966	0.9
408.13321	3.4
409.14215	2.5
410.10577	1.0
410.15051	12.1
411.11496	1.6
411.16129	2.6
412.11819	1.3
412.16983	6.5
414.13876	2.0
414.18652	1.7
416.15643	1.6
422.15292	1.2
424.12320	5.3
426.13873	5.9
427.15024	1.7
428.16083	9.5
429.16879	2.4
430.17926	1.9
438.14438	4.9
440.16205	5.5
442.13620	2.6
442.18445	1.7
444.19153	3.5
452.11749	1.2
452.16385	1.1
454.13446	1.3
456.15393	8.6
457.16553	1.8
458.17175	5.8
459.17975	1.3
466.13864	1.6
468.15512	0.9
469.12637	1.3
470.12433	1.6
470.17908	1.9
472.14194	1.4
472.18723	3.1
473.19431	1.0
474.16602	2.5
484.14990	6.9
485.15768	1.5
486.16693	2.8
487.17355	1.7
488.18207	5.9
490.18893	1.0
498.16467	3.4
500.18573	4.9
501.19122	1.7
502.15472	9.7
503.21069	4.7
505.22351	2.0
515.20538	2.4
516.17584	11.7
533.21460	2.1
534.18561	3.2
545.21844	1.3
546.18823	1.5
548.20319	2.3
561.21320	3.0
563.22699	1.7
573.21381	1.9
579.22394	1.7
589.20386	3.5
591.22638	3.9
606.24042	1.2
607.21844	22.3
620.22607	1.0
646.19940	4.9
664.21411	10.5
678.22931	5.2
679.23578	6.1
680.24127	2.1
692.21075	1.4
696.23676	7.9
710.25281	6.9
725.27539	2.0
751.26294	8.2
764.25861	1.8
769.27069	51.3
770.27100	1.0
772.23376	1.4
790.23999	4.9
808.10999	1.6
808.25464	26.3
809.26294	8.4
840.28131	100.0
841.28906	32.9
842.29211	4.5
842.65948	1.0
872.30615	9.6
873.29968	1.0
874.29962	1.0
887.31470	0.9
913.30731	1.6
931.32263	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	986.6045
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	7.9
69.07067	28.2
69.92286	5.2
71.04991	5.1
73.02904	4.0
77.03931	1.5
79.05492	72.2
81.03419	7.6
81.07055	86.8
83.04977	6.3
83.08612	14.1
85.02901	15.5
85.06536	3.5
90.72337	0.9
91.03964	6.4
91.05480	56.8
92.05772	0.9
93.07042	61.8
95.04435	1.1
95.04972	10.8
95.08604	59.9
97.02893	12.5
97.06522	9.6
97.10172	15.3
99.04456	2.0
99.08089	2.5
103.05475	2.2
105.04495	2.2
105.07034	49.7
107.04959	9.2
107.08593	51.4
109.02886	2.6
109.06517	9.8
109.10157	24.8
111.04440	0.9
111.08036	2.9
111.79701	0.9
113.09608	1.1
115.05442	2.6
117.07020	18.5
119.08584	39.3
121.06490	3.4
121.09309	1.7
121.10142	27.2
123.08035	3.6
123.11715	7.5
125.09620	12.3
127.03949	5.6
128.06216	2.3
129.05490	1.1
129.06998	7.0
130.07787	1.2
131.07071	1.2
131.08563	26.1
133.06435	1.7
133.10130	26.7
134.19788	1.0
135.08093	5.5
135.11688	16.1
137.09631	3.5
137.13258	2.1
141.06995	2.8
142.07764	2.2
143.08543	7.4
145.04956	3.0
145.06404	1.7
145.10118	24.1
147.08014	1.2
147.11696	21.6
149.09621	12.8
149.13246	11.0
151.11203	2.8
153.09065	1.9
155.08577	3.3
156.09317	1.0
157.10121	7.3
159.07986	1.1
159.11688	16.7
161.09608	1.5
161.13243	9.8
163.06061	2.7
163.11179	6.9
163.14828	4.7
165.12747	2.0
168.96460	1.0
169.10133	4.5
171.10320	1.2
171.11670	6.0
173.11818	2.2
173.13274	9.8
175.11214	1.6
175.14807	3.5
177.12775	1.9
179.14323	2.9
181.12297	1.0
183.11650	3.4
185.13228	5.7
187.11285	1.3
187.14806	3.6
189.11215	7.0
189.12732	1.4
195.11671	1.2
195.13835	1.2
197.13208	3.0
199.14803	2.3
201.16377	2.5
203.14270	2.4
211.14795	1.9
213.16489	1.6
215.17882	1.3
217.15836	1.0
219.17436	5.1
227.12785	21.3
229.14325	4.9
229.19496	3.6
237.16310	2.1
239.17934	3.6
243.21100	3.2
247.20575	4.0
253.14449	1.0
253.17769	1.0
255.15865	2.3
257.19028	12.6
259.11694	0.9
259.20624	3.9
261.22107	11.3
267.15887	5.5
269.17462	7.3
271.10312	1.0
273.18457	1.5
275.20062	57.6
276.20483	0.9
277.21707	1.4
293.20917	5.3
297.17523	1.1
299.23465	1.5
309.20798	1.3
317.24722	2.1
331.22754	3.3
333.24106	4.3
335.25800	100.0
336.26233	2.2
339.27063	0.9
349.23737	65.5
350.24106	1.7
351.25491	2.9
367.24835	1.5
367.29916	1.2
429.29913	1.1
431.31549	1.6
487.34000	1.4
489.35748	4.3
505.35120	3.9
513.39777	1.4
515.37115	5.2
517.40094	1.7
529.38989	13.4
530.38330	1.2
535.41168	2.1
545.38165	1.8
555.40387	2.2
569.42291	6.3
591.44049	1.4
599.46454	1.0
609.45105	100.0
610.45300	3.7
627.46143	15.8
651.46051	1.1
677.42200	0.9
771.50378	1.9
987.58313	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	22.5
69.07084	3.9
69.52731	6.8
70.07654	0.8
71.01334	3.3
71.04992	3.9
73.02911	17.6
75.04459	1.1
79.05050	1.2
79.05488	15.5
81.02977	1.4
81.03416	18.0
81.07050	24.1
83.01332	1.0
83.04969	4.0
83.08601	2.6
85.02901	100.0
87.04446	1.9
91.03950	51.8
91.05473	10.9
93.07040	19.3
93.82070	0.7
95.04966	4.4
95.08605	19.1
97.02883	63.5
97.06536	1.8
97.10154	1.3
99.04453	11.0
101.02349	3.2
103.03944	9.5
105.07017	8.8
107.04962	1.0
107.08591	8.9
109.02863	9.7
109.06499	1.3
109.10146	9.1
111.04461	3.9
115.03894	5.5
117.05481	2.1
117.07005	4.5
119.08557	6.8
119.72344	0.7
121.06482	0.8
121.10136	8.8
123.11700	3.2
125.05950	1.3
127.03909	38.8
128.06197	1.0
129.05450	4.7
129.06992	2.1
131.08565	7.5
133.06546	1.1
133.10120	6.4
134.80489	0.8
135.11688	7.6
137.05954	1.5
137.09637	1.2
137.13239	1.0
141.05426	0.9
143.08534	2.5
145.04951	38.9
145.10080	6.0
147.06392	0.8
147.08040	1.0
147.11700	5.2
149.09534	1.0
149.13272	5.3
151.11186	1.3
157.10086	2.6
159.06496	1.6
159.11652	5.2
161.06131	0.9
161.13237	3.5
163.06007	39.1
163.14786	1.8
168.06505	0.9
169.10072	1.3
171.06488	1.7
171.11707	2.3
173.04431	2.0
173.13257	4.4
175.11201	0.8
175.14842	1.4
177.16351	1.0
179.14227	0.7
183.06552	6.5
183.07939	1.1
183.11652	1.1
185.13278	2.2
187.14818	2.7
191.14308	0.9
197.13147	1.1
199.06001	0.9
199.14783	1.1
201.07539	6.3
201.16423	0.8
204.08572	0.8
219.08508	1.2
223.14796	0.9
241.07034	1.7
241.19588	0.9
243.21060	5.0
259.20419	2.6
261.22147	16.1
271.20374	1.1
273.22116	1.2
277.21542	1.3
279.23111	1.2
285.21985	1.6
289.21591	1.3
301.21692	1.0
303.23233	2.5
315.23196	2.0
317.24896	1.4
324.80200	1.0
327.23169	2.3
333.24301	1.9
335.25775	40.1
336.26312	1.1
337.27707	0.8
341.24762	1.9
345.24072	1.1
351.23227	2.0
353.26752	1.9
363.25360	4.1
369.24182	4.8
377.26843	4.8
387.25189	3.0
389.27017	1.3
405.26346	2.9
419.27750	1.8
425.26682	1.1
431.27545	1.2
443.27960	7.3
461.29117	7.6
479.29993	12.2
497.31174	6.1
763.72589	1.1
983.54700	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03404	0.8
69.07027	0.2
70.06590	1.2
70.94964	0.2
70.95287	0.3
72.08133	0.2
73.02895	0.2
79.05461	0.6
79.05903	0.2
80.05004	0.3
81.03409	1.1
82.06565	0.3
84.08128	0.4
85.02894	1.5
86.09679	0.3
89.03906	0.5
91.05467	0.8
92.05009	0.2
93.05786	0.2
93.07017	1.0
94.06564	2.4
95.04926	0.3
95.07335	0.9
96.04481	0.3
96.08122	3.0
97.02864	0.6
97.06497	0.3
103.05466	0.3
106.06537	0.4
107.04912	0.2
107.07275	0.3
108.04453	0.7
108.08108	2.8
109.02856	0.5
110.06000	0.3
110.08987	0.3
110.09671	3.9
116.04951	1.4
118.06496	0.3
119.69259	0.2
120.04467	0.5
120.08096	3.3
122.06017	4.6
122.09650	0.3
124.06796	0.3
124.07578	3.1
127.03900	0.4
129.06989	0.3
129.10228	0.2
130.06493	0.3
131.08510	0.2
132.04424	0.3
132.08060	0.3
133.05223	0.3
134.06000	0.9
135.06816	0.3
136.07561	6.0
137.08281	0.3
138.09128	6.4
143.08501	0.3
144.04431	3.7
144.07979	0.4
145.05072	0.3
145.10069	0.3
146.05983	2.0
147.04381	0.3
148.07535	1.6
150.05501	1.4
150.09122	0.7
151.03891	0.2
152.07080	1.0
153.06929	0.2
154.08614	0.2
155.07378	0.5
155.08556	0.6
157.10069	0.4
158.06017	0.3
158.09584	0.3
160.03912	1.0
160.07573	0.5
161.07042	0.4
162.05481	2.3
162.09164	0.3
163.03944	0.3
164.07080	0.4
166.08626	10.2
167.07109	0.3
170.09637	2.3
171.09242	0.3
172.03920	24.9
172.07568	0.7
172.09856	0.4
172.11183	0.9
173.04518	0.3
173.08351	0.3
174.05515	0.8
174.09099	0.8
175.08667	1.0
176.06955	0.2
177.05357	0.3
178.04973	0.3
180.06529	0.3
180.08014	0.2
181.06404	0.2
182.09717	0.5
183.06711	0.4
184.07503	0.5
184.11177	0.6
185.08301	0.3
186.09090	0.5
187.08694	0.4
187.12282	3.0
188.07007	0.3
188.10762	0.4
189.10184	0.2
190.03365	0.4
190.04990	5.9
192.06554	0.6
194.08093	0.4
196.07475	0.3
197.08383	0.5
197.10735	0.5
198.09132	17.8
200.09117	1.3
200.10757	1.0
201.10234	0.2
202.08620	0.4
204.06540	38.8
205.06870	0.7
206.08046	0.4
207.06511	0.4
209.10664	0.4
210.09123	0.3
211.06602	0.2
211.08521	0.3
212.07500	0.2
212.10788	4.0
213.10265	0.6
214.08676	0.3
214.10715	0.2
215.11775	14.7
216.10161	0.3
223.08701	0.2
223.12242	0.3
225.10182	1.3
225.33517	0.2
226.08630	5.3
227.08131	0.7
227.11729	2.2
228.06839	0.2
228.08931	0.8
229.09694	0.6
229.13354	0.8
230.10426	0.6
231.11266	0.8
235.08667	0.3
236.09317	0.4
237.10190	0.7
239.11818	1.0
240.10411	2.3
241.09763	1.3
241.13388	1.3
242.10446	0.8
243.11267	81.8
244.11601	1.5
249.10249	1.1
250.11031	0.4
251.08202	0.3
251.11841	1.0
253.09729	1.0
253.13568	0.3
255.11278	8.4
256.11865	0.7
257.12839	4.6
261.10242	0.2
263.08163	0.2
264.08676	0.5
265.09592	1.0
267.11243	1.1
269.09268	1.0
269.12961	0.3
271.14172	0.3
277.09668	0.7
278.10568	0.3
279.07980	0.4
279.11237	2.2
280.11783	0.2
281.09232	0.4
281.12689	0.3
283.10724	1.2
284.11514	0.6
285.12308	82.2
286.12598	1.8
293.09198	0.4
295.10751	0.7
296.11398	0.3
296.49973	0.2
297.09277	0.3
297.12143	1.4
298.12973	0.5
299.13873	0.5
301.11804	8.1
302.12491	0.5
303.13358	100.0
304.13724	2.4
305.09277	0.5
307.10693	1.8
308.11545	0.2
311.10242	0.5
313.11969	0.4
315.09879	0.4
323.10010	0.5
325.11777	6.2
326.12372	0.3
327.13376	0.6
329.14941	0.6
333.08823	0.3
334.09006	0.3
337.11450	0.2
338.13898	0.2
339.09485	0.3
339.13541	0.6
341.15237	0.2
343.12924	2.0
351.09674	2.4
355.13385	0.3
357.14413	9.9
358.15198	1.6
359.16028	1.8
361.10986	0.3
367.14276	0.4
371.12552	1.1
383.12433	0.7
400.16446	0.6
410.14969	0.4
412.16507	0.4
416.15891	0.5
418.17563	1.3
428.15811	0.4
429.14838	0.4
430.17654	0.7
438.14465	0.3
444.15781	0.3
446.16931	0.2
456.15527	0.7
462.16614	2.2
470.17050	1.7
474.16498	1.6
476.18118	3.7
487.17169	2.0
488.18002	0.8
494.19177	3.0
504.17551	0.4
505.18350	0.7
506.19446	1.1
519.19672	0.8
536.20264	7.6
537.20441	1.0
583.25519	4.5
595.26025	0.3
599.24976	1.8
609.23199	1.0
623.24536	0.7
627.24457	20.4
628.24249	1.2
641.26001	14.8
642.26208	0.5
659.16113	0.3
659.27094	6.1
660.27368	0.3
667.23273	0.3
698.25269	0.7
699.25635	0.3
803.31226	2.4
821.95996	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	1.5
69.30764	2.0
69.31187	0.8
70.06573	0.9
71.04977	0.3
79.05489	0.8
80.04999	0.6
81.03416	1.3
81.05801	0.3
81.07044	0.5
81.99680	0.3
84.04482	0.3
84.08105	0.4
85.02897	1.8
86.09705	0.3
89.03917	0.6
91.05484	1.0
93.05775	0.3
93.07027	1.7
94.06567	2.6
95.04958	0.6
95.07351	1.6
96.04504	0.4
96.08121	3.2
96.49464	0.3
97.02895	1.2
97.06535	0.8
103.05490	0.4
105.07050	0.4
106.06528	0.8
107.07359	0.5
108.04473	0.6
108.08101	3.7
108.34370	0.3
109.02853	0.5
110.06030	0.3
110.09676	6.9
110.10375	0.6
116.04959	2.6
118.06547	0.3
119.77199	0.3
120.04469	0.8
120.08117	5.0
122.06033	5.0
122.09673	0.6
124.07596	2.7
125.78769	0.3
126.79083	0.3
127.03930	0.7
129.07014	0.3
129.10210	0.3
132.04460	0.4
132.08052	0.3
134.05978	0.8
135.06755	0.3
136.07574	7.4
137.05998	0.4
137.08324	0.4
138.09128	8.9
144.04433	7.1
144.08130	0.5
145.05171	0.3
146.05984	3.2
146.06956	0.4
146.09618	0.4
146.39153	0.3
148.07576	2.5
149.05923	0.3
150.05495	1.2
150.09135	0.9
152.07076	0.7
155.08449	0.3
157.08928	0.3
158.06096	0.3
160.03941	1.1
160.07573	0.5
161.07143	0.4
162.05502	4.1
163.03836	0.3
164.07085	0.7
166.08630	15.9
167.07178	0.7
169.08875	0.3
170.09665	2.0
171.07878	0.3
172.03928	52.5
172.11223	0.7
174.05486	1.8
174.09148	0.8
175.03891	0.5
175.08615	0.9
178.04904	0.4
178.08562	0.3
180.08124	0.4
180.80728	0.3
183.06702	0.6
184.11249	0.3
185.08394	0.4
186.09160	0.6
187.08508	0.4
187.12305	2.9
189.10191	0.4
190.04974	10.9
192.06529	0.7
194.08044	0.6
196.07657	0.3
197.08395	0.4
197.10847	0.3
198.09140	17.4
200.09398	1.2
200.10751	1.0
204.06554	84.2
205.06909	1.2
206.08131	0.8
207.06572	0.4
210.09151	0.6
211.08618	0.5
212.09138	0.3
212.10744	3.7
212.37167	0.3
213.10146	0.5
214.08722	0.5
215.11781	15.6
222.07561	0.8
223.08818	0.4
223.12227	0.4
225.10234	1.1
226.08693	5.2
226.10854	0.3
227.08188	0.5
227.11783	2.3
228.08925	0.8
229.09732	0.9
229.13344	1.2
231.11311	0.9
236.09459	0.4
237.10228	0.6
239.11815	1.0
240.10382	2.6
241.09793	1.2
241.13319	1.5
242.10329	0.6
243.11281	83.9
244.11658	1.1
249.10089	0.7
251.11740	0.6
255.11299	8.6
256.11835	0.4
257.12845	4.6
265.09705	0.9
266.10471	0.3
267.11389	0.8
268.09784	0.4
269.09189	2.2
269.12384	0.4
279.11404	1.5
283.10660	1.3
285.12326	80.4
286.12634	1.4
293.09195	0.5
297.12207	1.5
298.12997	0.8
299.13852	0.5
301.11804	8.6
303.13376	100.0
304.13766	1.3
307.10779	0.9
313.12018	0.5
315.09723	0.7
321.08511	0.3
325.11813	6.6
327.13437	0.7
329.14948	1.7
334.09052	1.4
339.13370	1.1
341.14700	0.4
343.12927	2.4
346.15521	0.4
357.14435	26.6
358.15250	2.0
359.16003	3.0
363.09738	0.7
366.11902	0.7
370.15582	0.6
381.10904	0.3
386.15091	0.4
400.16547	0.8
416.15964	1.1
417.16150	0.4
418.17691	1.4
428.16272	1.5
430.17484	1.1
434.17072	0.5
444.15695	0.6
446.17105	0.6
459.17914	0.4
462.16348	2.3
469.15906	0.6
474.16690	2.0
476.18256	0.4
487.17096	3.5
494.19205	4.2
506.19464	1.6
519.19696	3.0
524.20343	0.4
538.21472	0.6
546.49854	0.3
575.48016	0.4
581.24084	0.6
583.16345	0.5
583.25513	7.8
584.25653	0.4
599.24994	3.5
609.23224	1.3
627.24469	37.9
628.24420	0.6
641.25720	1.6
649.22491	0.4
659.27039	10.6
660.26929	0.3
681.24335	0.5
701.66602	0.4
711.11780	0.3
789.29266	1.0
861.31305	0.5
907.17474	0.3
983.35590	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99802	0.3
69.03431	1.0
70.06581	0.2
71.04994	3.2
71.50449	0.1
71.59098	0.1
71.59535	0.2
73.02914	0.3
75.04489	0.1
77.03920	0.3
81.03417	2.8
83.04989	0.3
85.02904	4.7
89.03919	0.3
91.05481	11.2
92.45018	0.1
93.03411	0.2
95.04971	0.3
97.02901	0.6
99.04462	0.4
101.52625	0.1
103.05476	0.3
105.03404	0.3
107.04951	0.2
108.05806	0.2
109.02871	1.3
111.00801	0.4
111.04435	0.3
118.04152	0.3
119.04943	19.8
120.05273	0.2
121.02882	0.4
122.03707	0.1
123.04444	0.1
127.03923	1.7
128.43202	0.1
129.03386	0.4
129.05479	0.6
131.04922	0.2
131.94298	0.1
132.02071	1.0
133.02852	0.2
135.04442	0.4
136.05264	0.3
137.02338	4.3
137.03339	0.2
142.83412	0.1
145.02855	0.4
146.03610	0.1
147.04408	18.3
148.04733	0.2
149.02362	0.9
153.01826	1.5
153.05457	0.1
157.03970	1.6
161.06029	0.2
163.03918	0.7
164.04668	0.5
165.01855	0.8
166.02734	0.1
166.61038	0.1
167.07059	0.2
171.02959	0.3
173.06003	0.3
175.03906	35.9
176.04308	0.4
177.05499	0.1
178.02574	0.2
179.07037	1.3
183.02847	0.2
183.04343	0.2
187.03897	0.3
191.03555	0.1
192.04204	0.5
201.05450	0.5
205.05063	0.2
207.06525	100.0
208.06860	0.9
215.03300	0.2
225.07545	0.5
229.05005	1.7
247.06035	0.4
257.04465	1.7
274.04630	0.3
285.04022	0.5
303.04993	53.4
304.05270	0.8
309.09845	0.2
315.04776	0.2
345.06158	0.6
351.10742	5.3
369.11816	9.6
463.96704	0.1
465.10349	0.3
671.16040	2.3
760.31384	0.1
799.40814	0.1
952.82123	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	983.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	1.1
69.07056	0.3
70.06573	0.8
70.81703	0.6
77.33190	0.2
78.36565	0.2
78.67840	0.2
79.05483	0.6
80.04997	0.2
81.03414	1.2
82.03003	0.2
82.06557	0.6
84.08125	0.3
85.02900	1.7
89.03907	0.7
91.05457	0.9
92.04972	0.2
93.07027	0.9
94.06564	2.0
95.04929	0.3
95.07340	1.2
96.08122	2.2
97.02876	0.7
97.06528	0.3
100.01073	0.2
103.05473	0.3
105.07009	0.3
106.06551	0.4
108.04469	0.6
108.08112	2.4
109.02888	0.4
110.09679	4.2
116.04266	0.3
116.04960	1.9
119.04945	0.4
120.04446	0.6
120.08110	3.3
121.06519	0.3
122.06021	4.1
122.09631	0.5
124.07605	2.2
127.03940	0.4
129.13483	0.2
132.04411	0.2
132.08067	0.4
134.05997	0.7
135.06813	0.2
136.07573	6.5
137.05930	0.3
138.08109	0.4
138.09132	6.4
139.09496	0.3
144.03383	0.4
144.04446	5.1
144.08124	0.2
145.02910	0.3
145.05070	0.4
146.06027	1.9
148.07578	2.0
149.05936	0.2
150.05478	0.9
150.09109	1.0
152.07060	0.8
153.06912	0.3
154.08649	0.3
155.07259	0.4
155.08461	0.5
158.05989	0.3
158.09599	0.4
160.03906	1.0
160.07559	0.5
161.07103	0.4
162.05482	3.1
163.03871	0.4
164.07097	0.4
165.60779	0.2
166.08641	11.4
167.07071	0.3
169.08870	0.3
170.09607	2.3
172.03929	33.2
172.07539	0.7
172.11226	0.7
173.08319	0.3
174.05515	1.0
174.09056	0.5
175.03918	0.2
175.08662	0.7
177.05376	0.3
178.08595	0.3
180.06509	0.4
182.09720	0.3
183.06569	0.2
184.07507	0.3
184.11206	0.3
186.05437	0.4
186.09113	0.5
187.12285	2.8
188.10622	0.3
190.04984	6.3
192.06583	0.7
194.08118	0.6
197.08438	0.2
197.10785	0.3
198.09135	15.5
199.09717	0.4
199.12292	0.4
200.09143	1.4
200.10768	0.9
201.10263	0.3
201.13943	0.3
202.08504	0.4
204.06555	56.9
205.06932	1.0
206.08148	0.5
207.06560	0.3
210.08984	0.5
211.08655	0.3
211.12355	0.2
212.10797	3.5
213.06508	0.3
213.10214	0.5
215.11790	13.3
216.06691	0.3
216.12061	0.3
222.07635	0.4
223.08658	0.3
225.10106	1.4
226.08640	4.9
227.08197	0.8
227.11812	2.1
228.08914	0.9
229.09717	0.7
229.13319	0.7
231.11205	0.9
236.09485	0.4
237.10223	0.5
239.11707	0.7
240.10445	2.1
241.09698	1.2
241.13396	1.5
242.08156	0.3
242.10356	1.1
243.11281	77.6
244.11647	1.5
246.36160	0.2
251.08179	0.4
251.11697	0.8
252.10063	0.3
253.09865	0.4
253.13292	0.3
255.11282	9.3
256.11902	0.6
257.12848	4.9
265.09735	0.6
267.11255	0.6
269.09180	0.7
269.12863	0.4
277.09674	0.4
278.10446	0.4
279.11401	1.1
281.12692	0.2
283.10709	1.1
284.11591	0.4
285.12320	78.9
286.12717	1.8
287.14066	0.3
293.09299	0.5
297.12405	1.1
298.13120	0.7
301.11826	9.2
302.12433	0.3
303.13376	100.0
304.13727	2.1
307.10724	0.6
313.11703	0.5
315.09717	0.5
325.11807	5.1
326.12943	0.2
327.13373	0.5
329.14874	0.7
334.09259	0.8
339.13416	1.1
341.14993	0.4
343.12823	1.4
355.13055	0.3
357.14459	17.4
358.15311	1.2
359.16064	2.8
366.12408	0.3
367.12521	0.3
386.15036	0.3
388.16330	0.3
400.16757	0.3
416.16025	0.7
418.17444	1.1
428.16046	0.7
430.17596	0.6
444.15671	0.4
446.16849	0.4
456.15195	0.6
462.16599	1.8
474.16617	1.6
476.18152	0.5
487.17209	2.0
488.17319	0.3
494.19202	3.1
506.19095	1.4
519.19598	1.6
522.18658	0.4
524.20111	0.4
536.20276	0.4
583.25574	5.2
584.25555	0.3
599.24933	1.9
609.23724	1.2
612.26270	0.3
627.24481	27.2
628.24762	1.3
641.26331	1.5
659.27124	10.2
660.27600	0.3
666.22382	0.3
698.26147	0.3
789.29047	0.9
828.27954	0.5
861.31653	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05477	1.2
69.03418	3.9
69.07056	1.4
69.89402	2.3
69.89795	2.9
70.06595	5.1
70.06913	1.0
73.66321	0.9
75.09697	0.8
79.05522	1.1
81.03412	2.4
81.07050	2.0
82.06586	1.4
83.04956	1.3
85.02895	6.3
86.09705	1.5
88.53340	1.0
89.03893	1.3
89.45813	1.1
91.05475	2.1
93.07025	3.1
94.06557	4.5
95.04929	1.3
96.08142	4.8
97.02878	1.5
103.05479	1.0
105.07002	1.2
106.06498	1.2
108.08108	7.1
109.02866	1.7
110.09711	6.2
113.91856	0.9
116.04946	2.7
120.04486	2.7
120.08114	6.8
122.06004	8.2
124.07581	2.3
127.03922	1.6
133.02800	1.0
134.06003	1.7
136.07550	12.1
137.05984	2.1
138.09138	8.5
144.04428	6.4
146.06036	5.0
147.04410	1.4
148.07568	4.1
150.05453	1.2
150.09117	1.1
152.07014	1.3
160.03908	2.0
162.05492	4.8
163.04004	1.1
164.07089	2.0
166.08636	15.2
167.07050	2.3
172.03934	53.0
174.05515	1.7
176.07014	2.3
185.10780	1.6
186.09175	1.3
190.05023	11.3
197.10719	1.5
198.09123	1.4
199.12329	2.4
201.10300	1.5
204.06561	100.0
211.08640	2.9
213.10193	2.7
214.11058	1.5
215.11804	1.5
224.09320	1.1
225.10237	8.5
226.10893	1.6
227.08089	2.7
227.11763	11.1
229.13339	2.3
235.08688	1.1
236.09500	1.3
237.10228	3.0
238.10847	1.3
239.11774	4.4
241.09680	4.4
241.13344	2.5
242.10448	7.3
243.11349	5.9
245.12938	1.2
249.10269	1.5
251.11929	1.6
253.09723	4.6
255.11241	2.8
256.12076	3.2
257.12875	21.6
264.08911	2.2
265.09753	1.5
267.11310	3.7
269.12805	10.3
271.10730	8.8
273.12357	2.4
279.11356	2.7
281.12848	1.4
283.10794	3.8
284.11624	4.9
285.12347	8.2
286.12912	1.4
287.13904	19.1
295.10587	1.3
297.12329	8.4
299.13940	2.6
302.12924	1.1
303.05103	1.3
305.09106	1.4
307.10809	2.3
309.12173	1.1
312.15005	1.9
314.12732	1.3
317.14911	4.7
323.10159	7.0
325.11856	12.5
326.16339	1.2
327.13492	3.3
328.10733	1.5
328.14291	2.4
329.11554	1.4
329.15204	2.6
330.16211	1.2
331.16534	1.3
339.13589	2.0
340.14453	1.2
341.15408	1.3
342.12274	5.8
342.15869	1.2
343.12961	4.4
355.13309	1.6
356.13721	5.6
357.14426	42.0
358.15295	5.0
359.16022	1.6
369.15088	1.1
370.11566	1.3
370.15659	3.7
380.13821	1.8
382.11829	2.3
383.12247	2.0
384.13132	5.2
385.13953	2.7
386.18607	2.9
390.18137	2.8
392.02975	1.1
397.14722	1.6
398.14963	13.6
399.15717	22.1
400.16315	1.3
402.18204	1.2
403.18649	6.6
404.15985	5.9
412.16266	1.7
414.18100	3.2
416.15994	15.0
422.16653	2.9
428.16083	3.3
430.17374	4.1
440.15976	5.6
446.17319	4.9
449.19208	50.4
458.11160	2.0
458.17081	22.8
478.19574	3.0
487.17072	4.4
490.19684	11.8
519.19489	1.6
569.24036	5.3
583.25543	2.1
593.23633	3.1
611.24976	76.7
612.24969	2.2
625.26514	1.6
642.26428	2.0
643.27612	98.9
644.27869	2.9
655.92297	1.2
773.30273	15.6
805.32343	4.1
935.36658	1.3
967.34662	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	967.382
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05447	0.9
69.03359	1.8
69.25840	0.4
70.06516	2.3
73.02848	0.4
79.05410	1.3
80.04945	0.6
81.03339	1.3
81.06978	0.6
82.06518	0.8
84.04451	0.4
84.08072	0.6
85.02821	3.2
86.09630	0.8
89.03839	0.7
90.47444	0.4
91.05399	1.4
93.06946	1.2
94.06564	4.4
95.07265	1.6
96.08122	4.8
96.08685	0.8
97.02801	1.8
97.06455	0.4
99.04392	0.5
99.64959	0.4
103.05392	0.8
105.06961	0.4
106.06478	1.3
108.04476	2.3
108.08117	8.4
109.02787	1.3
110.05984	0.5
110.09679	7.4
116.04874	1.6
118.06503	0.7
120.04465	3.0
120.08115	5.6
121.06381	0.4
122.06031	4.6
122.09557	1.4
124.07601	5.0
126.47205	0.5
127.03842	0.8
129.13478	0.4
132.04338	0.7
132.08096	0.6
134.06013	2.7
135.04378	0.4
136.07579	10.3
137.05919	0.7
138.05470	0.5
138.09138	9.2
141.23209	0.4
144.04456	3.2
144.08064	0.4
145.04878	0.4
146.06004	6.6
147.04297	0.5
148.07581	3.9
150.09035	1.2
152.07037	1.8
158.09564	0.4
159.09082	0.6
160.03909	3.2
161.49577	0.4
162.05510	3.0
164.06952	1.6
166.08643	16.1
167.07056	1.1
172.03934	22.6
172.07475	0.8
173.12869	0.5
174.05524	2.2
176.07098	2.4
177.05368	0.7
178.04912	0.5
182.09651	0.7
183.09204	0.9
184.09863	1.0
186.05455	0.5
186.09111	0.8
187.08574	0.5
188.07001	0.5
190.04994	16.1
195.09113	0.4
196.09746	0.6
197.07082	0.5
197.10835	2.4
198.09158	0.8
199.08553	1.0
199.12375	1.9
204.06558	38.8
205.04732	0.4
205.06740	0.7
209.10660	1.1
210.09099	1.7
210.11244	0.7
211.08705	2.5
211.12091	0.8
212.09387	2.3
213.10185	0.9
214.10968	0.6
219.42189	0.4
223.08633	1.0
223.12225	1.0
224.09294	1.5
225.10223	8.1
226.10939	1.6
227.11786	13.6
229.13338	0.6
235.08641	0.5
236.09439	1.6
237.10204	3.6
238.10953	1.3
239.11833	3.7
241.09575	1.5
241.13345	0.9
243.11313	0.5
245.12825	1.2
249.10239	2.5
250.10991	0.6
251.08099	0.7
251.11852	3.3
252.08853	1.0
252.12505	0.5
253.09689	5.3
253.13454	0.9
254.10544	0.5
255.11292	2.1
257.12756	0.9
261.10123	0.5
263.08188	1.3
263.11624	0.6
264.08829	2.5
265.09622	1.8
265.13315	0.5
266.10443	1.0
267.11288	2.6
269.09851	0.8
269.12863	14.9
271.08060	0.7
271.10767	8.9
273.12448	2.7
277.09613	2.7
278.10376	1.0
279.11282	4.7
280.12079	0.7
281.09198	1.3
281.12793	2.3
283.10733	4.9
284.11511	5.5
285.12369	6.1
286.12943	1.6
287.13904	13.9
289.13312	0.6
291.11209	0.8
293.09042	0.6
293.12512	0.8
294.09897	0.6
295.10666	2.6
296.11493	0.8
297.12369	9.3
298.13348	0.6
299.13977	3.8
300.15015	0.5
301.12903	0.5
302.12662	0.9
305.09161	0.7
307.10556	2.3
308.11102	0.7
309.12228	1.5
311.10291	1.2
311.13983	0.9
312.14932	1.8
313.12613	1.6
314.13037	2.3
315.13608	1.4
316.10953	1.1
316.14365	2.5
317.14951	0.6
318.15970	0.5
321.08789	0.9
321.12320	1.3
323.10269	6.9
323.13956	0.8
325.11810	15.6
326.12891	0.7
326.16476	1.6
327.13400	3.1
327.17285	1.2
328.11374	2.7
328.14041	3.0
329.11450	0.8
329.15125	1.3
330.12350	1.5
330.16025	2.5
331.12830	0.5
331.17023	1.8
334.09198	0.8
337.11710	0.9
339.13461	1.8
340.14490	1.1
341.11404	2.0
341.15579	0.5
342.12372	6.7
342.16028	1.0
343.13013	8.8
343.16943	0.5
344.13837	1.8
344.17679	1.1
352.14471	0.6
354.12164	0.8
354.15955	1.5
355.13049	1.8
355.17175	0.6
356.13904	6.3
357.14456	22.7
358.15479	4.7
360.17230	0.5
365.11237	0.6
366.12131	0.5
366.16260	0.5
367.12842	1.2
367.17068	0.7
368.14017	0.7
369.15103	1.1
370.11688	0.9
370.15622	5.5
371.16046	1.7
372.16937	1.9
374.18848	0.5
376.16281	0.8
378.18121	1.1
380.13953	1.2
382.11841	3.4
383.12592	2.2
384.13300	5.5
384.17398	0.8
385.14005	2.7
386.14142	2.1
386.19208	3.3
387.15125	0.8
388.16611	0.7
390.18176	3.5
394.15488	0.8
395.15573	0.6
396.13129	0.7
397.14917	1.4
398.14999	22.4
399.15787	28.6
400.16617	2.2
401.13184	0.6
402.18176	1.1
404.16068	6.0
412.16684	3.0
413.17484	0.5
414.18292	4.4
415.16025	0.6
416.16037	16.6
417.16400	1.3
418.17572	0.7
422.17273	2.4
428.15903	4.5
430.17712	3.0
431.18457	0.8
440.16049	8.1
446.17120	7.3
447.17947	0.6
448.18472	0.6
449.19711	0.5
458.17130	30.8
459.17526	0.9
472.18796	0.8
476.17850	0.6
478.19818	2.8
487.17133	9.5
490.19684	9.9
501.19205	0.5
505.18301	0.9
519.19397	2.1
520.21429	0.5
522.22614	0.8
523.23279	0.7
525.25531	0.6
539.26331	0.9
541.24579	1.1
551.22815	0.8
552.23981	0.5
565.24420	1.6
567.26117	1.6
569.23932	4.6
583.25555	1.3
593.23846	3.7
602.21252	0.7
608.22357	0.8
610.23895	1.0
611.25006	100.0
612.25330	1.7
620.22375	2.3
625.26447	0.8
642.26404	0.6
643.27643	38.8
644.27869	0.7
729.30890	0.7
731.29364	0.5
737.28223	1.6
745.30682	0.9
755.29279	3.2
773.30255	52.3
774.30646	1.3
787.31421	0.6
805.32880	10.1
812.28809	0.7
899.34418	0.5
917.34418	0.8
927.66272	0.4
935.35773	2.6
967.35303	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	0.8
69.03433	2.8
70.06595	2.3
71.13182	0.9
72.08177	0.5
73.02928	0.4
76.06734	0.5
79.05486	1.3
80.05004	0.7
81.03407	2.3
81.05803	0.4
81.07085	0.6
82.06573	0.5
84.08181	0.9
85.02910	4.4
86.09729	0.7
88.04017	0.4
89.03910	0.5
91.05478	1.8
92.04990	0.7
93.05785	1.0
93.07058	2.5
93.51994	0.4
94.06565	5.3
95.04980	0.9
95.07347	1.9
95.08582	0.4
96.08130	5.2
97.02895	2.9
99.04449	0.9
103.05499	0.5
105.07028	0.5
106.06579	1.2
107.07357	1.1
108.04482	2.2
108.08121	7.8
109.02904	1.3
110.09681	7.1
114.94282	0.4
116.04988	2.1
116.07072	0.7
118.06555	0.6
119.04946	0.5
120.04488	3.6
120.08112	7.1
121.06533	0.6
122.06026	4.9
122.09663	1.8
124.07602	5.6
127.03930	1.8
129.10233	0.4
130.06575	0.4
130.50047	0.3
134.06024	2.1
136.07581	9.7
137.06001	0.6
138.05530	0.9
138.09140	10.5
144.04451	4.3
144.07996	0.5
145.02914	0.6
146.06021	5.8
147.04448	0.6
148.07571	3.8
150.05525	0.6
150.09119	2.3
151.03885	0.4
152.07051	2.1
158.09715	0.6
160.03958	2.8
160.07634	0.5
162.05516	2.9
163.03937	0.5
164.07042	2.1
166.08643	17.8
167.07210	0.5
172.03937	23.9
172.07646	1.2
174.05574	2.2
175.03918	0.6
176.07100	2.8
177.05490	0.7
178.05040	0.7
182.09703	0.8
183.09126	0.5
184.09933	0.4
186.05603	0.7
186.09210	0.5
188.07141	0.6
190.04987	17.7
191.05397	0.6
192.06606	0.6
194.08167	0.5
195.09254	0.6
196.09906	0.9
197.10786	1.4
198.09282	0.6
198.11555	0.4
199.08707	0.8
199.12337	1.8
201.10336	0.4
204.06566	39.1
207.06558	1.0
209.10789	1.5
210.09169	1.7
210.11378	0.6
211.08630	2.6
211.12242	0.7
212.09334	2.2
213.10307	1.2
221.10678	0.9
223.08690	1.4
223.12354	0.9
224.09497	1.6
225.10229	7.6
225.12358	0.5
226.11000	1.1
227.11787	13.5
229.13416	1.0
230.11674	0.4
235.08731	1.3
235.12524	0.4
236.09445	2.3
237.10242	3.9
238.10968	1.8
239.11740	4.3
240.12685	0.4
241.09755	1.6
241.13300	1.8
243.11325	0.5
245.12920	1.1
247.08757	0.4
248.09467	0.5
249.10246	2.3
250.11090	1.0
251.08189	1.0
251.11862	3.0
252.12715	0.6
253.09744	4.9
253.13359	0.9
254.10445	0.7
255.11348	2.0
257.12820	0.5
261.10233	0.7
263.08258	1.0
263.11899	1.9
264.08890	3.5
265.09778	3.3
266.10489	1.2
267.11316	2.6
268.08524	0.6
269.09763	0.8
269.12848	13.4
271.10748	7.9
273.12338	3.6
277.09784	2.2
278.10339	0.9
279.11258	5.8
280.12112	0.5
281.09326	0.9
281.12903	1.6
283.10767	5.5
284.11530	4.3
285.12411	4.9
286.13306	1.0
287.13925	13.1
288.11597	0.5
289.09885	0.4
289.13358	0.9
291.11343	1.1
293.09247	1.5
293.12744	0.7
294.10104	0.7
295.10742	2.4
296.11761	0.7
297.12350	8.7
299.14075	3.8
300.11926	0.5
300.15216	0.6
301.12408	0.6
302.13055	0.9
303.05222	0.5
305.09384	0.4
307.10846	2.7
309.12415	1.7
311.10541	0.9
311.14352	0.9
312.15298	1.7
313.12485	1.5
314.13156	1.7
315.13702	1.6
315.17093	0.4
316.10956	0.9
316.14499	1.5
321.08917	0.7
321.12329	0.9
323.10220	6.0
324.11392	0.4
325.11813	18.3
326.12869	1.2
326.16605	1.7
327.13602	3.1
327.17380	1.2
328.10901	2.6
328.14584	2.2
329.11734	0.8
329.15207	1.7
330.12448	1.1
330.16138	2.0
331.13455	0.5
331.16867	1.8
334.09244	1.0
335.10333	1.0
336.11026	0.5
337.11658	1.7
338.12982	0.5
339.13876	1.8
340.10980	0.5
340.14569	1.3
341.11389	1.9
342.12393	6.6
342.16205	1.5
343.12991	8.1
344.13983	1.3
344.17804	0.6
345.14471	0.5
352.14423	0.9
353.11917	0.7
354.12381	0.9
354.16385	0.8
355.13596	1.5
355.17267	0.8
356.13940	6.1
356.17786	0.8
357.14493	22.7
358.15646	3.7
360.17130	0.4
365.11349	0.7
366.16165	0.8
367.13290	1.2
368.13998	0.9
369.10980	0.5
369.15079	1.4
370.11591	0.7
370.15530	4.4
371.16232	1.3
372.17117	1.6
374.18719	0.6
378.18057	1.5
380.13904	0.9
382.11707	3.2
382.16159	0.4
383.12589	2.8
384.13190	4.5
384.16666	0.7
385.14108	3.0
386.14505	1.9
386.19022	2.9
388.16605	1.0
390.18069	3.7
394.15741	1.2
396.17383	0.6
397.14670	0.6
398.14990	18.0
399.15787	26.6
400.16498	2.3
401.13535	0.5
402.18307	1.6
404.15924	5.2
404.20380	0.4
406.17911	0.5
410.14929	0.6
412.16602	2.5
414.18250	4.1
416.16022	15.9
417.16577	1.0
418.17636	0.5
422.17014	2.0
423.14044	0.4
428.15982	4.4
430.17682	3.5
440.16031	7.9
441.14572	0.7
446.17145	7.7
447.17783	0.5
448.18329	0.7
458.17114	25.4
459.17914	0.7
460.18863	1.1
465.41205	0.4
469.16068	1.0
472.18555	1.0
476.18027	0.6
478.19760	2.8
487.17126	8.4
488.18051	0.5
490.19696	10.0
505.18283	0.8
506.19214	0.7
519.19983	1.3
520.21039	1.0
522.22241	2.7
538.21820	0.7
539.26941	0.7
541.24408	1.3
547.23029	0.5
551.22888	0.9
565.24524	1.0
567.26587	0.8
569.23914	4.7
575.22852	0.6
583.25519	1.5
593.23761	3.8
602.21069	0.9
608.22540	0.6
611.25012	100.0
612.25250	2.2
620.22565	1.4
625.26337	0.6
626.25104	1.3
643.27679	29.3
644.27435	0.7
650.23523	0.8
684.27899	0.7
727.29645	0.5
729.30261	0.7
737.28418	1.1
745.30383	1.0
755.29395	3.0
773.30237	35.4
774.30792	0.9
787.30377	0.6
788.29681	0.5
805.32861	5.9
812.28241	2.1
813.28754	1.0
844.30829	1.2
845.31238	0.5
917.33978	0.7
935.35797	3.7
940.75171	0.4
967.37848	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	0.6
69.03432	2.8
69.70235	1.5
69.70650	0.8
70.06587	0.9
79.05482	1.2
80.05002	0.6
81.03419	1.6
81.07057	0.5
82.06588	0.8
85.02899	5.0
89.03923	0.8
91.05447	0.9
92.05003	0.6
93.05797	0.6
93.07040	1.5
94.06557	4.2
95.04964	0.9
95.07351	1.4
96.08120	5.1
97.02896	2.0
99.04440	0.9
103.05489	0.5
105.07034	0.4
106.06572	1.7
107.07358	0.7
108.04472	2.2
108.08109	8.8
109.02884	0.7
110.09676	7.2
110.10371	0.6
116.04985	1.5
118.06521	0.6
120.04449	3.6
120.08104	6.2
120.36933	0.3
120.73961	0.3
122.06034	5.8
122.06897	0.6
122.09674	0.9
124.07584	5.3
127.03880	0.9
131.08681	0.3
132.08144	0.4
134.06013	3.1
136.07574	9.5
137.08244	0.5
138.09129	11.0
144.04443	3.9
146.06001	6.3
148.07565	3.8
150.05559	0.6
150.09119	1.9
152.07104	1.6
158.09758	0.4
159.09215	0.4
160.03918	3.4
162.05524	3.9
164.07045	2.3
166.08633	18.2
167.07278	0.6
167.08864	0.3
170.09732	0.4
172.03926	24.2
172.07608	0.7
173.04349	0.4
174.05516	2.3
174.09167	0.6
176.07060	3.5
178.04988	1.1
180.06491	0.4
182.09692	0.5
183.09206	0.8
184.09921	0.8
186.05556	0.4
188.07001	0.5
190.04990	20.1
192.06601	0.5
194.09673	0.6
195.09213	0.5
196.10013	0.5
197.10828	1.7
198.07816	0.4
198.11511	0.5
199.12343	1.7
200.07092	0.4
204.06549	43.1
205.06836	0.9
209.10776	1.4
210.09221	1.3
210.11342	0.7
211.08623	2.6
211.12231	0.6
212.09268	2.1
213.10251	1.1
215.11905	0.4
221.10684	0.9
222.07628	0.6
223.08694	0.9
223.12317	0.6
223.24664	0.4
224.09497	1.4
225.06712	0.4
225.10220	8.5
226.10909	1.1
227.11780	12.4
229.13472	0.7
233.10861	0.6
235.08633	0.7
236.09489	1.4
237.10236	3.4
238.11055	1.7
239.11777	4.2
241.09741	2.0
241.13470	1.6
243.11334	1.2
245.12846	1.1
249.10196	2.0
250.10941	1.2
251.08221	0.7
251.11774	3.9
252.08792	0.8
252.12709	0.5
253.09677	7.1
253.12428	0.5
253.13509	0.6
254.10410	0.6
255.11243	1.9
257.12946	0.7
263.08194	1.2
263.11786	0.5
264.08893	3.4
265.09723	2.6
266.10635	1.4
266.65601	0.4
267.11337	3.2
268.12012	0.5
269.09808	0.7
269.12827	14.5
270.13260	0.5
271.10767	10.0
271.13806	0.8
273.12335	2.9
277.09677	2.5
278.10486	0.7
279.11264	5.5
280.11893	0.6
281.09390	0.8
281.12836	1.7
283.10764	6.7
284.11578	4.8
285.12302	5.8
286.13184	1.6
287.13901	14.3
291.11133	0.9
293.09274	0.9
293.12814	0.5
294.10114	0.6
295.10873	1.7
296.11462	0.7
297.12350	9.3
298.10623	0.6
298.13571	0.5
299.14078	3.4
300.12018	0.5
302.13223	0.8
305.09280	0.6
307.10718	2.7
309.12405	1.2
310.13016	0.5
311.10425	0.4
311.14230	0.7
312.15118	0.9
313.12921	1.3
314.13080	2.7
314.16360	0.7
315.13748	1.8
316.10901	1.0
316.14532	1.5
317.15146	0.8
318.16205	0.6
319.10779	0.4
321.08841	0.8
321.12399	1.0
323.10239	7.7
323.13956	0.5
324.11011	0.6
325.11813	21.2
326.12909	0.7
326.16544	1.3
327.13614	4.1
327.17401	1.0
328.10858	3.6
328.14496	2.9
329.11740	0.5
329.15268	1.5
330.12424	0.9
330.16049	2.2
331.13327	0.8
331.16888	2.5
334.09314	1.6
337.11752	0.8
338.12985	0.5
339.13522	1.5
340.14893	0.9
341.11838	1.3
341.15500	0.7
342.12357	7.1
342.16074	1.1
343.13000	8.9
344.13986	1.1
344.17667	0.9
348.13617	0.4
352.14612	0.9
353.12674	0.8
354.12564	1.2
354.16098	1.2
355.13553	1.6
355.17389	0.5
356.13895	6.9
356.17850	0.6
357.14459	26.4
358.15305	5.5
359.16376	0.5
365.11163	0.9
366.12000	0.7
366.16125	1.1
367.13156	0.5
368.09991	0.6
368.14044	1.1
369.10913	0.6
369.15253	0.7
370.11615	0.7
370.15588	5.8
371.16202	2.1
372.13013	0.5
372.17111	1.6
374.18985	0.8
375.15793	0.5
376.16296	0.6
378.18326	1.9
380.13971	1.4
382.11847	4.2
383.12454	3.0
384.13275	6.4
384.17316	0.7
385.13980	2.9
386.14352	2.2
386.19101	3.3
387.15833	0.5
388.16769	0.7
390.18143	4.2
394.15561	1.2
395.13950	0.6
396.12927	0.6
396.17450	0.8
397.14191	0.9
398.10678	0.4
398.14996	22.4
399.15768	31.4
400.16718	1.8
401.13535	0.7
402.18079	1.7
404.16000	7.4
412.16522	2.3
414.18121	5.9
416.16046	19.5
417.16632	1.2
422.17200	2.3
428.16083	4.8
430.17627	3.4
431.18542	0.8
434.17532	0.5
440.16037	9.5
446.17105	8.6
447.17880	0.5
448.18939	0.5
456.15735	0.7
458.17096	30.5
459.17694	1.3
460.18607	0.6
469.15945	1.2
472.19171	0.9
478.19714	2.7
487.17068	11.7
488.17944	0.6
490.19714	12.0
505.17395	0.8
519.19415	2.4
523.23285	1.1
533.21863	0.7
539.26385	0.9
541.24695	1.2
549.24866	0.5
551.22925	1.3
565.24634	1.6
567.25983	1.1
569.24017	4.2
575.22644	0.5
583.25287	1.6
593.23944	3.9
608.22595	0.6
610.24445	1.1
611.24969	100.0
612.25500	1.5
613.20935	0.5
620.21893	1.0
621.22510	0.5
625.25696	0.6
631.20422	0.5
642.26978	0.4
643.27576	39.2
644.27649	0.7
649.21838	1.0
737.27777	1.1
745.30426	1.2
755.29425	2.2
773.30206	46.7
774.30792	0.8
805.32831	11.2
813.28284	0.6
843.28943	0.6
844.30914	0.9
899.33698	0.7
935.35211	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	967.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	0.5
69.03433	3.2
73.02927	0.7
79.05487	0.9
80.05005	0.9
81.03420	1.5
82.06572	0.9
85.02899	4.2
91.05483	0.9
92.04999	0.6
93.05804	1.1
93.07047	1.7
94.06572	4.9
95.04966	0.7
95.07351	1.6
96.08131	5.7
97.02896	1.8
99.04437	0.7
99.18040	0.4
103.05460	0.6
106.06564	1.6
108.04473	2.8
108.08119	8.8
108.08860	0.5
109.02884	1.0
109.08901	0.4
110.09684	7.3
116.04993	2.0
118.06583	0.7
120.04449	4.4
120.07297	0.3
120.08105	7.2
122.06020	5.6
122.09664	1.1
124.07594	5.4
126.85153	0.3
127.03932	1.0
132.04407	0.5
132.08124	0.6
134.06020	2.7
136.07573	11.3
138.05492	0.5
138.09132	10.5
144.04443	3.6
144.08154	0.4
145.05029	0.5
146.05994	6.2
148.07573	4.6
150.05545	0.8
150.09166	2.1
152.07047	1.8
160.03984	2.8
160.07504	0.5
162.05501	4.3
164.07123	1.7
166.08638	18.3
167.07310	0.4
172.03929	22.5
174.05463	2.3
174.09109	0.6
176.07069	3.3
182.08308	0.7
182.09756	1.2
184.09918	0.7
186.05461	0.8
186.09132	0.8
187.08865	0.4
188.07042	0.5
190.04987	19.6
192.06641	0.4
194.08220	0.5
195.09117	0.5
196.07661	0.7
196.09846	0.5
197.07204	0.5
197.10718	1.9
198.07802	0.5
198.11497	0.4
199.08728	0.9
199.12318	1.7
204.06557	37.6
209.10803	0.9
210.09198	1.7
210.11372	0.8
211.08652	3.5
211.12309	1.1
212.07210	0.5
212.09509	1.7
213.10353	1.1
221.10680	0.6
222.07417	0.4
223.08739	1.1
223.12366	0.9
224.09515	1.6
225.10201	8.0
226.11018	1.1
227.08372	0.6
227.11775	14.2
235.08733	1.2
236.09508	1.7
237.10184	3.6
238.07404	0.6
238.11139	1.4
239.11801	4.3
240.09015	0.6
241.09734	1.6
241.13394	1.0
243.11322	1.0
245.12907	0.9
249.10258	2.6
250.11105	1.2
251.08217	0.8
251.11803	3.3
252.08789	0.8
253.09723	6.3
253.13380	1.2
255.11244	2.3
257.12833	0.8
261.10300	0.9
262.08624	0.8
262.11151	0.9
263.08084	0.9
263.11902	1.4
264.08954	3.4
265.09799	2.0
266.10507	1.0
267.11221	3.0
268.08295	0.4
269.12839	15.2
270.10144	0.5
271.10764	9.8
271.13815	0.7
273.12381	3.5
277.09793	2.3
278.10446	1.0
279.11279	6.2
280.11847	0.5
281.09283	1.1
281.12912	1.9
282.10165	0.6
283.10767	6.1
284.11536	5.2
285.12314	5.9
286.13196	1.6
287.13882	13.5
289.09665	0.5
289.13300	0.6
291.11453	1.0
293.09393	0.9
293.12848	0.7
295.10706	2.7
296.11719	0.6
297.12326	10.6
299.11090	0.5
299.14029	4.4
300.11493	0.7
301.12491	0.6
302.12897	0.8
302.16611	0.4
303.13791	0.5
305.09402	0.6
307.10687	3.0
309.12503	1.3
311.10382	0.8
311.14230	0.8
312.15027	1.5
313.11807	2.1
314.12946	2.0
315.05066	1.1
315.13843	1.3
316.11166	0.7
316.14511	1.8
317.15292	0.8
319.10760	0.9
321.08752	0.8
321.12466	0.8
323.10248	7.3
323.13907	0.6
325.11795	19.4
326.13129	0.9
326.16507	1.6
327.13651	3.2
327.17438	1.2
328.10855	2.5
328.14511	2.9
329.11691	0.7
329.15308	1.2
330.12595	0.7
330.15839	2.3
331.16907	1.8
334.09302	1.5
335.10345	0.8
337.11914	1.7
338.13126	0.5
339.13943	1.9
340.11252	0.7
340.15015	0.8
341.11615	2.0
341.15662	0.5
342.12485	5.7
342.16135	1.5
343.12997	8.3
344.13953	1.8
344.17639	0.9
352.14627	1.0
353.12219	0.6
354.12341	1.0
354.16324	0.9
355.13080	2.1
355.17596	0.6
356.13858	6.0
356.17249	0.5
357.14493	21.5
358.15506	4.3
359.16763	0.5
365.11295	1.0
366.16058	0.9
367.13232	1.4
368.13980	0.8
369.10910	0.5
369.15253	0.8
370.11719	1.3
370.15625	5.9
371.16681	1.9
372.17242	1.1
374.14890	0.6
376.16470	0.5
378.18076	1.8
380.13950	1.3
382.11673	3.7
383.12531	2.6
384.13168	5.0
384.17337	1.0
385.14014	2.8
386.14273	2.0
386.19092	3.3
387.15469	0.5
388.16769	1.2
390.18082	4.3
394.15607	1.6
396.17255	0.5
397.15140	1.5
398.14996	21.1
399.15793	31.2
400.16580	3.0
401.13364	0.5
402.18182	2.2
404.15988	7.4
412.16431	2.5
414.18179	4.7
415.15967	0.8
416.16031	18.7
417.16599	1.6
418.17224	0.5
422.17010	2.7
428.15961	4.2
430.17816	3.6
431.18494	0.7
440.16025	8.3
441.15240	0.9
446.17111	8.5
447.17792	0.5
448.18600	0.6
458.17099	28.8
459.17340	1.0
460.18793	0.9
469.16061	1.6
472.18646	1.0
478.19528	2.4
487.17084	10.3
487.23767	0.7
488.18387	0.7
490.19742	9.9
506.19476	0.9
519.19684	1.2
520.20612	1.2
522.22382	2.5
523.23419	0.9
539.26874	0.7
541.24542	1.7
543.25531	0.4
551.23315	0.8
561.11560	0.5
565.24194	1.5
567.26141	1.1
569.23907	4.3
575.22937	0.6
583.25763	0.9
593.24066	4.4
594.22803	0.6
608.22382	0.6
611.24994	100.0
612.25330	3.1
620.21704	0.5
625.26575	0.5
626.24792	1.4
643.27600	25.1
644.28033	0.7
649.22211	0.9
684.27283	0.5
731.29297	0.8
737.28143	1.1
745.30432	1.0
755.28918	1.3
773.30243	36.5
774.30359	0.8
805.32874	6.2
812.29089	3.3
813.29504	1.0
844.31256	0.6
899.33124	0.7
935.35327	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	967.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	1.9
69.03434	3.5
69.07053	0.9
70.06586	3.2
71.04995	1.1
71.19371	1.2
73.02908	0.8
74.02438	0.8
79.05508	1.1
81.03423	4.1
81.07065	1.0
85.02908	5.4
86.09719	0.9
87.04490	0.6
91.05447	2.7
93.07056	1.6
94.06564	3.9
95.04976	1.8
95.07386	1.0
96.08134	3.3
97.02898	2.4
99.05581	1.6
103.05464	1.3
105.07056	1.2
107.04963	0.8
107.07329	0.6
108.08111	6.8
109.02892	1.4
110.09676	7.1
113.87846	0.8
118.05041	0.6
119.04958	0.7
120.08097	6.4
121.06472	0.6
122.06024	8.3
122.09683	1.8
123.06808	0.6
124.07623	0.8
127.03893	1.3
133.06534	0.7
134.06003	1.0
135.04434	0.7
136.07568	9.6
137.06026	0.8
138.09135	10.0
145.02875	0.7
146.04453	2.8
146.06117	0.6
147.04494	1.4
148.07585	3.9
149.88422	0.6
150.09161	4.2
152.07083	0.6
163.04044	1.2
163.07121	6.6
164.07043	0.9
166.08636	15.3
167.07097	1.8
172.04021	0.7
177.05423	1.1
190.05107	0.9
193.08496	0.6
204.06540	1.5
207.06573	1.3
209.10724	0.7
210.11386	0.7
220.09741	0.6
223.08786	0.7
223.12375	0.8
224.09425	0.9
225.10277	2.0
227.11699	1.4
235.06584	1.0
235.08551	3.7
236.09401	3.8
237.02950	0.7
237.10214	16.6
238.10957	1.4
239.08217	1.4
239.11871	1.6
243.11377	1.1
248.09586	0.7
249.10222	13.2
250.11026	2.5
251.08177	1.6
251.11749	4.7
252.09071	1.4
252.12492	1.5
253.09756	3.8
253.13521	0.7
255.11397	1.6
261.10474	2.0
263.08273	6.1
263.11853	1.9
264.08905	11.1
264.11472	0.8
265.09750	9.8
266.10538	2.1
267.11267	5.7
267.16013	2.4
268.12061	0.9
269.09146	0.9
269.12814	0.9
275.11627	0.7
276.09158	1.0
277.09720	15.8
278.07504	0.9
278.10486	4.4
279.07770	2.5
279.11392	10.7
280.08658	1.1
280.12134	1.8
281.09320	4.5
281.12872	2.2
283.10938	1.9
285.12393	1.3
289.09647	0.8
291.07779	4.6
291.11383	2.2
292.08371	7.2
292.11676	1.2
293.09247	34.8
293.12854	4.3
294.10004	1.8
294.13544	0.8
295.10791	4.3
295.13907	0.9
297.09174	0.7
297.12552	1.7
303.08008	0.7
305.09235	12.2
306.09988	1.8
307.10757	7.8
308.11560	1.2
309.08850	1.8
309.12524	3.2
310.13034	0.8
311.10342	2.7
311.13422	1.3
312.11130	1.1
313.12070	2.5
315.01642	1.0
315.04837	4.2
319.10791	1.8
321.08875	1.0
321.12454	1.6
322.13211	0.9
323.10269	5.5
324.11243	1.1
325.11761	6.5
326.12781	1.6
327.13556	1.4
328.14368	0.8
329.15256	0.7
333.08658	7.5
333.12018	0.7
335.10193	1.3
337.11710	5.1
338.12784	0.8
339.13434	7.5
340.14389	1.4
341.15366	1.0
342.12326	1.0
342.16150	1.0
343.13107	1.2
344.13818	1.0
351.09799	5.4
351.13599	0.9
352.10376	0.9
353.11450	1.9
353.15164	1.8
354.12372	1.6
354.16296	1.0
355.13174	2.3
356.14005	1.6
357.14398	2.7
358.15579	1.1
364.14343	0.8
365.11429	2.5
365.15344	0.9
366.12109	1.1
367.12906	7.4
368.13943	3.3
369.14703	2.1
370.11578	0.9
370.15656	2.0
372.13336	0.9
379.12888	0.8
381.14508	2.5
382.11478	1.1
382.15677	1.4
383.12238	1.3
383.16559	1.2
384.13159	1.5
384.17355	1.2
385.14020	2.0
386.15009	0.9
390.18442	0.8
392.13696	0.8
393.14737	1.0
396.13446	2.0
397.13736	3.7
398.15118	3.1
399.15594	2.7
400.16891	1.0
409.13943	7.9
409.18863	0.6
410.15280	2.9
411.15771	2.0
412.16577	1.7
414.14523	1.0
415.14490	1.2
418.17786	1.7
423.15884	0.8
425.17276	1.8
427.14853	2.8
428.15872	3.2
429.16794	0.8
430.17902	1.0
432.19568	0.7
437.13428	6.8
438.14316	3.4
439.15396	1.2
440.16150	1.7
441.16635	1.4
442.17706	0.8
443.14304	1.1
446.17065	10.6
447.17841	1.0
455.14325	6.8
456.15637	1.9
457.16348	1.1
458.17401	2.5
459.18274	1.5
459.27649	1.9
461.82364	0.6
465.13275	1.3
469.16138	1.4
470.16766	1.0
471.17923	3.0
472.18896	0.7
476.18198	1.5
478.19717	3.3
483.13132	3.9
486.16196	0.9
487.17227	1.8
490.19858	1.4
498.16516	2.4
500.18253	1.0
501.69934	0.6
503.17627	2.3
514.19879	0.9
515.16779	4.9
517.18311	2.7
518.19263	1.7
519.20166	0.9
520.20355	1.0
522.22546	2.2
530.19287	1.4
531.19873	0.9
542.19025	3.8
544.20886	1.0
550.22119	1.0
562.21838	1.8
570.19244	0.8
574.21545	0.9
576.19965	0.9
588.20099	2.3
590.21429	2.2
592.22192	0.9
604.23022	0.8
608.22260	5.7
611.25049	2.3
618.20563	3.0
620.22400	1.3
622.23993	2.0
623.25098	0.9
624.25134	0.8
636.23358	1.9
640.24969	4.0
641.25439	0.9
643.27185	3.2
650.23474	11.4
651.23895	4.7
652.25134	1.0
654.25836	0.7
668.24603	8.7
677.25336	0.7
682.25885	6.9
683.26733	4.5
684.27502	1.6
723.26050	0.9
741.27338	6.1
755.29120	2.7
773.30170	20.9
774.30560	1.0
780.26898	0.8
781.26672	1.5
784.29517	0.8
812.28711	22.5
813.29297	17.0
814.30536	1.6
844.31244	9.4
845.32056	100.0
846.32483	4.4
903.32758	1.5
935.36029	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	965.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	0.9
69.03418	2.3
69.59667	3.8
70.06583	2.4
70.06904	0.5
72.08149	0.5
79.05490	1.2
80.04984	0.8
81.03423	4.3
83.04989	0.6
84.08137	0.8
85.02888	1.8
85.54154	0.5
87.00799	0.6
91.05457	1.4
93.07034	1.0
94.06563	2.5
95.04972	0.9
95.07343	1.1
95.08583	0.6
96.08137	2.4
97.02866	1.7
97.06522	0.8
98.20795	1.2
99.04449	0.6
105.07020	0.9
106.06527	0.8
108.04483	0.8
108.08125	4.9
109.02863	4.0
110.06071	0.5
110.09666	3.0
116.04967	1.3
120.04462	1.1
120.08136	3.9
122.06025	5.2
122.09652	1.0
123.06836	0.7
124.06794	0.5
124.07563	3.0
127.03889	1.8
128.06233	1.0
129.06972	0.9
130.06500	0.5
132.04448	0.5
132.08040	0.7
133.06516	0.7
134.06024	0.7
135.04301	0.6
135.08148	0.5
136.07582	8.0
137.05925	0.9
138.09119	7.1
143.08475	0.5
144.04417	4.1
144.08096	1.3
145.02832	0.9
145.04987	0.5
145.10056	0.8
146.06003	4.1
147.11800	0.6
148.03899	0.7
148.07538	2.4
149.32509	0.6
150.05472	1.7
150.09102	1.6
152.07057	1.2
155.07280	1.0
155.08467	1.1
157.08794	0.7
158.09570	1.0
159.09111	0.5
160.03922	1.1
160.07571	1.3
161.07117	0.7
162.05508	3.6
163.03867	0.7
163.07387	0.5
164.07040	1.3
165.92990	0.5
166.07361	0.7
166.08636	7.4
167.07069	1.1
169.08878	0.5
170.09692	3.2
172.03941	20.7
172.07634	1.3
172.11201	1.2
173.08391	0.6
174.05507	1.7
174.09128	1.4
175.08649	1.1
176.07188	0.6
177.05495	0.9
178.08551	0.5
180.06546	0.7
182.09641	0.6
183.06699	0.6
184.07552	0.7
184.11249	0.8
185.08369	0.9
185.10730	0.6
186.09123	1.6
187.08647	0.6
187.12321	4.1
188.07056	1.0
188.10658	1.7
190.04987	5.9
192.06570	0.6
196.07590	0.6
197.10802	0.8
198.09161	22.0
199.08611	0.5
199.12361	0.7
200.09416	1.8
200.10799	1.7
202.08575	0.8
204.06554	27.2
207.06534	1.0
210.09094	1.8
211.08723	1.0
211.12239	0.5
212.07489	0.6
212.10919	4.5
213.10240	2.3
214.08574	0.6
215.11783	19.1
216.10144	3.1
216.11913	0.5
225.10258	2.6
226.08871	5.6
226.10950	0.9
227.08109	1.5
227.11778	5.5
228.08687	1.1
229.09636	0.8
229.13354	1.5
230.10431	0.7
231.11285	1.2
232.09715	1.7
234.11218	0.6
236.09441	0.9
237.10124	0.9
239.08066	0.8
239.11714	1.3
240.06787	0.6
240.08557	0.8
240.10175	3.0
241.09723	9.0
241.13416	2.1
242.10396	4.1
243.11287	94.4
244.09543	2.3
244.11891	2.4
246.11305	1.8
251.11772	0.6
253.09682	2.0
255.11285	24.1
256.12067	2.9
257.12814	6.2
260.08966	0.8
265.09528	0.8
267.11255	1.6
269.09171	1.5
278.10498	0.5
279.11285	1.2
283.10767	14.3
283.13922	0.8
284.11508	3.8
285.12332	100.0
286.12637	2.5
293.09210	0.6
297.12326	2.3
301.11832	7.6
302.12628	2.6
303.13385	8.6
307.10736	1.1
311.13834	0.8
313.11859	1.3
321.08661	0.7
325.11771	5.2
329.15033	0.8
343.12912	3.5
345.14679	3.1
357.14600	5.1
358.15436	0.7
370.15628	0.7
375.15350	1.7
393.14316	2.7
409.13831	2.1
410.14847	0.8
411.15518	27.2
412.15958	0.7
427.14954	4.7
428.15979	0.9
429.16611	15.4
444.14859	0.8
445.15973	3.9
447.17639	29.9
448.17871	1.0
451.15231	0.6
456.15604	1.0
458.16977	0.8
463.16870	1.1
470.17178	1.1
474.16489	0.7
519.19952	0.7
537.18744	1.2
544.20709	2.9
555.20099	0.8
562.22083	2.8
565.24408	0.7
570.18671	1.0
573.20752	2.6
580.22797	3.1
582.18231	0.8
588.19641	1.1
600.19269	0.7
602.20917	0.9
606.20459	0.9
609.23547	2.7
618.21027	1.0
620.22430	1.7
623.25214	1.0
641.25543	1.2
689.25763	2.2
691.27045	1.6
707.26746	3.9
709.28363	1.6
717.25470	0.8
721.28589	1.2
725.28192	1.0
727.29688	1.1
735.26404	7.6
739.29181	3.1
749.28253	3.3
753.27600	3.3
757.30591	1.3
767.29077	3.8
771.28796	3.0
785.30170	4.3
911.32147	1.0
947.34344	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05462	0.4
69.03425	2.8
69.29444	0.4
69.29851	1.7
70.06560	0.3
70.39142	0.2
71.04927	0.2
73.02879	0.4
79.05449	0.5
80.04974	0.2
81.03414	1.0
81.05740	0.2
81.07000	0.4
85.02897	4.0
91.05412	0.7
93.06975	0.9
94.06557	2.9
95.04916	0.6
95.07355	1.1
95.07815	0.2
96.07566	0.2
96.08121	2.4
97.02887	1.8
98.20753	0.4
103.05402	0.5
107.07275	0.3
108.04394	0.3
108.08108	3.6
109.02814	0.8
110.09676	4.5
117.19151	0.2
118.06516	0.3
120.04416	0.3
120.08102	3.6
122.06023	5.1
122.09612	0.5
124.07532	0.5
127.03828	0.6
134.05957	0.4
136.07579	5.1
137.05925	0.3
138.08154	0.4
138.09131	6.3
144.07974	0.2
145.04951	0.2
147.66289	0.2
148.07552	1.8
150.09065	0.5
152.07039	0.3
161.05966	0.3
166.08633	7.2
167.07111	0.3
172.07545	0.8
173.33734	0.2
191.07016	0.2
197.07024	0.3
198.07851	0.3
199.08659	0.4
209.91266	0.2
211.08643	1.1
213.10175	0.2
220.09883	0.4
221.10686	1.3
223.08592	0.4
225.10037	0.4
233.10881	0.3
234.11595	0.3
235.08609	1.1
236.09381	0.5
237.10167	0.7
239.11792	0.2
247.08621	1.3
248.09474	1.1
249.10226	9.3
250.10921	0.8
251.11705	0.9
253.09772	0.3
258.07172	0.3
261.10226	1.2
262.10907	0.3
263.08179	0.2
263.11725	1.3
265.09717	1.1
265.12982	0.2
267.11273	0.3
269.08975	0.2
275.08057	0.8
277.09689	6.3
278.10394	0.6
279.07733	0.3
279.11081	0.5
283.10818	0.5
285.12427	0.3
289.09628	0.4
291.11200	1.0
293.09213	0.8
295.10782	0.6
297.12543	0.2
299.11719	0.2
303.07629	0.5
307.11008	0.2
308.11520	0.3
309.12332	5.1
310.13239	0.7
311.10583	0.4
311.14200	0.5
312.11212	0.4
312.14926	0.2
313.12930	0.6
314.12878	0.5
315.13895	0.2
319.10739	0.4
321.08618	0.6
321.12271	0.4
322.13330	0.9
323.10831	0.4
323.14255	0.6
324.11819	0.6
324.15393	0.4
325.12726	0.7
326.12949	1.6
327.13770	1.0
328.11047	0.4
328.14386	1.1
330.12445	0.3
335.10483	0.2
336.14886	0.9
337.12149	0.7
337.15829	0.7
338.12952	0.7
338.16595	1.2
339.10370	0.5
339.14456	0.8
340.10739	1.0
340.14468	2.0
341.11514	1.2
341.15326	0.9
342.12347	1.8
342.15988	0.8
343.13229	0.8
344.13779	0.6
349.12308	0.6
350.12949	1.2
351.13956	1.0
352.10507	0.4
352.14816	1.4
353.11343	1.4
354.12234	3.9
354.16083	0.7
355.13058	3.1
356.09949	0.5
356.13861	3.2
356.17667	0.8
357.14371	0.5
358.15396	0.3
364.14429	3.8
365.15781	1.0
366.12201	0.9
366.16028	2.5
367.13168	2.4
368.10342	0.6
368.13986	6.7
369.14786	3.6
370.11758	0.5
370.15475	2.2
371.12494	0.4
371.16562	0.4
377.11636	0.2
378.12134	0.3
379.13202	0.8
380.09821	0.4
380.14014	1.5
381.10846	0.4
381.15100	0.3
382.11670	3.6
382.15582	4.0
383.11737	1.0
383.16724	1.6
384.13583	0.5
384.17130	6.0
385.14111	0.7
385.18369	0.2
386.14969	0.8
388.12891	0.5
392.14020	2.5
393.14392	0.3
394.15775	1.4
395.12585	1.2
396.13416	4.3
396.18082	0.3
397.14197	1.9
398.18777	7.6
400.12103	0.3
400.17017	1.1
401.17496	0.4
402.14609	0.5
403.15167	0.4
404.16174	0.3
408.13382	1.0
410.14978	5.0
411.15512	0.7
412.16483	6.9
413.13483	1.0
414.14429	1.4
415.15134	1.5
416.16107	0.7
417.16574	0.3
420.13269	1.3
426.13553	2.9
426.18719	1.1
428.16022	5.0
429.16666	1.2
430.17737	0.5
438.14471	20.8
439.14880	0.9
441.13260	0.4
442.17572	2.1
444.14069	0.4
444.19882	5.2
445.19373	0.3
446.16873	0.3
452.16159	0.9
456.15530	28.1
457.15714	0.8
458.17062	6.3
470.17178	1.7
476.18140	22.5
477.18478	0.6
488.18149	15.3
489.19226	0.6
504.21347	0.2
535.22742	0.3
545.21906	0.3
547.22961	0.3
563.22778	1.3
581.23901	0.4
591.22302	3.7
594.25403	0.2
595.25500	2.1
609.23407	18.2
610.23755	0.6
613.26477	0.9
623.24945	15.0
624.24860	0.4
641.26007	100.0
642.26465	3.2
683.27277	0.4
753.27618	0.5
771.28369	3.0
785.30383	0.4
803.31281	7.7
965.36053	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.276
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03412	2.4
69.69772	7.2
69.70177	4.6
70.06582	12.0
71.04984	5.7
72.08129	3.4
81.03401	4.2
81.07077	1.8
84.08157	2.5
85.02897	6.3
86.09694	2.1
89.03888	3.5
90.76597	1.6
91.05470	2.3
109.02850	2.3
117.03376	10.3
127.03934	2.4
137.05991	2.3
145.02829	37.4
147.04411	2.2
149.05989	4.7
151.03912	3.2
153.01875	2.7
163.03935	4.4
177.05466	100.0
187.07567	2.1
187.83136	1.8
209.08122	2.1
285.04221	2.1
302.04184	5.8
303.04922	4.6
317.06543	50.0
321.09665	4.6
325.61972	1.9
339.10712	9.8
359.23383	9.4
362.41528	2.2
375.05276	2.1
385.12296	2.3
655.16040	3.1
790.27826	2.0
886.86041	2.2
963.30780	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	964.6202
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	35.7
69.03416	5.2
69.07065	13.4
71.08641	18.3
71.60958	4.4
79.05492	26.0
81.03412	5.7
81.07058	46.2
83.04959	5.5
83.08608	10.1
85.02902	9.3
85.10178	10.7
91.05483	25.0
93.07041	25.5
95.04963	4.2
95.08602	37.0
97.02878	5.0
97.06539	5.1
97.10165	5.1
105.07020	15.2
107.08592	12.5
109.10162	21.7
112.60775	3.2
113.13393	3.4
117.07016	10.2
119.08582	12.4
121.10129	11.8
131.08568	12.6
133.10130	7.0
135.11678	6.6
145.10089	8.9
146.69922	3.6
147.11748	4.7
157.10086	4.7
159.11768	6.4
173.11804	4.7
175.06853	3.3
185.13309	6.4
195.13849	4.4
197.13234	4.4
217.15811	3.9
227.12791	5.8
229.14381	12.6
239.18031	3.8
257.18951	8.3
269.17401	15.0
275.20139	20.5
291.19739	4.8
309.20514	11.1
313.27368	100.0
349.23883	20.9
349.68463	3.9
455.74762	3.7
467.37125	16.1
493.38687	8.0
507.40561	48.9
521.41846	5.9
547.43658	28.9
587.46649	27.9
605.47595	4.5
607.91748	4.5
625.14996	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	963.276
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03412	2.4
69.69772	7.2
69.70177	4.6
70.06582	12.0
71.04984	5.7
72.08129	3.4
81.03401	4.2
81.07077	1.8
84.08157	2.5
85.02897	6.3
86.09694	2.1
89.03888	3.5
90.76597	1.6
91.05470	2.3
109.02850	2.3
117.03376	10.3
127.03934	2.4
137.05991	2.3
145.02829	37.4
147.04411	2.2
149.05989	4.7
151.03912	3.2
153.01875	2.7
163.03935	4.4
177.05466	100.0
187.07567	2.1
187.83136	1.8
209.08122	2.1
285.04221	2.1
302.04184	5.8
303.04922	4.6
317.06543	50.0
321.09665	4.6
325.61972	1.9
339.10712	9.8
359.23383	9.4
362.41528	2.2
375.05276	2.1
385.12296	2.3
655.16040	3.1
790.27826	2.0
886.86041	2.2
963.30780	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	959.5697
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	2.8
69.03430	3.5
69.07027	0.6
71.01369	0.6
71.04989	0.7
71.49237	0.4
73.02917	3.7
78.30969	0.4
79.05495	2.4
81.03426	1.4
81.07043	2.2
85.02897	5.3
91.03937	2.7
91.05477	1.5
93.07050	1.7
95.04974	0.4
95.08625	1.4
97.02890	4.2
98.07308	0.4
99.04421	0.6
101.02353	1.8
105.07065	0.9
107.08623	1.1
109.02895	0.6
109.10166	0.4
115.03890	0.5
119.08594	0.5
121.10154	0.7
127.03920	1.6
133.10161	0.5
185.04202	0.5
203.05309	0.8
218.81329	0.3
243.08499	1.7
243.36292	0.4
347.09415	2.8
347.44666	0.4
363.09116	0.6
365.10754	1.0
371.51385	0.4
405.13605	5.2
435.80606	0.5
519.29346	3.7
545.56622	0.4
681.34540	9.3
797.51544	0.6
882.09216	0.5
959.56934	100.0
960.56842	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	954.6145
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	48.5
69.03426	2.6
69.07068	10.9
70.39091	0.5
71.04974	1.5
71.08627	0.7
71.31295	1.0
73.02921	4.2
75.43750	0.4
77.03915	0.7
79.05489	31.9
81.03395	1.5
81.07054	46.8
83.04950	1.4
83.08616	5.9
85.02902	17.3
85.06518	1.6
91.03954	11.5
91.04899	0.7
91.05476	20.1
93.07039	37.8
95.04957	3.5
95.08602	39.8
96.04528	0.6
97.02887	9.9
97.06518	2.3
97.10166	3.2
99.04432	1.2
99.08102	1.5
105.07024	14.4
107.08590	21.5
109.02916	0.9
109.06535	1.2
109.10153	18.5
111.08068	0.8
111.11725	1.1
113.09664	0.7
115.03925	0.8
117.07006	5.9
119.08568	13.3
121.10136	18.3
123.08046	1.4
123.11703	8.0
125.09644	1.2
127.03921	5.1
129.05576	0.5
129.07025	1.5
131.08557	11.2
133.10127	10.7
135.08011	0.6
135.11693	13.3
137.09601	0.7
137.13240	2.7
141.06984	0.6
143.08542	1.8
144.09354	0.6
145.04938	6.4
145.10121	8.5
146.20357	0.6
147.11661	10.1
149.09660	0.7
149.13260	8.0
151.11159	0.9
151.14793	1.0
155.08624	0.6
157.10104	2.3
159.11694	8.4
161.13232	7.7
163.06027	8.1
163.14796	5.2
165.12732	0.6
166.69635	0.5
171.11659	1.9
173.13278	6.5
175.14862	3.6
177.16341	1.3
181.10043	0.6
183.11664	0.7
185.13274	2.8
187.14767	4.0
189.16406	1.2
191.17865	0.6
199.14778	1.9
201.16428	1.4
209.15463	0.5
213.16418	1.2
215.17929	0.8
223.14874	0.5
227.18228	0.5
231.21109	0.9
231.90469	0.5
233.18866	0.6
239.17909	0.7
241.19562	3.3
243.21082	4.7
245.22578	0.6
257.18951	0.6
259.20560	9.9
261.22119	20.0
263.23682	2.7
273.21982	0.8
277.21710	0.6
279.23248	1.1
285.22253	0.8
299.23563	1.2
315.23184	1.3
317.24887	2.9
333.24194	7.3
335.25781	100.0
336.26080	2.0
337.27377	12.8
355.29858	0.7
405.26135	0.7
429.33026	0.5
451.35880	0.7
454.19012	0.6
489.35577	0.8
521.43341	3.9
539.44623	0.7
543.40302	0.8
595.47198	17.0
596.47198	0.8
613.48224	18.9
614.48004	0.7
668.43469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05474	0.7
69.03410	0.7
70.06590	2.0
70.93058	1.0
71.04963	1.2
72.08153	0.5
77.03909	0.3
79.05459	0.5
80.04969	0.5
81.03397	1.1
84.08130	0.5
85.02881	1.9
86.09671	1.1
89.03875	0.8
91.05456	1.1
93.07015	1.3
94.06555	1.6
95.04922	0.5
95.07338	0.7
95.41164	0.3
96.08128	2.0
97.02867	0.7
97.06496	1.0
98.06044	0.4
103.05422	0.4
106.06528	0.6
108.04450	0.7
108.08117	2.1
110.06026	0.4
110.07127	0.3
110.09658	2.4
111.04412	0.3
116.04956	1.6
120.04417	0.5
120.08087	2.8
122.06020	3.6
124.07572	3.3
127.03918	0.5
129.06964	0.7
133.04947	0.6
134.05980	0.5
136.07570	4.5
136.57460	0.3
137.05992	0.7
138.09135	3.6
143.08545	0.5
144.04414	3.1
144.08000	0.4
145.02820	0.5
145.10095	0.4
146.05957	1.3
148.07555	1.3
149.08351	0.3
150.05463	1.3
150.09174	0.9
152.07013	1.1
155.07280	0.8
155.08528	0.7
157.04988	0.8
157.08888	0.6
158.05922	0.5
158.09686	0.4
160.03932	1.1
160.07570	0.5
161.07147	0.6
162.05511	2.1
163.03929	0.3
163.07336	0.4
164.07083	0.4
166.07248	0.3
166.08618	6.3
167.07117	0.6
169.04990	0.5
169.08800	0.6
170.09648	3.2
172.03923	18.8
172.07494	0.7
172.09920	0.8
172.11221	0.9
174.05453	0.4
174.07808	0.5
174.09169	0.6
175.08641	1.0
176.06978	0.3
177.05396	0.9
180.08157	0.4
183.06723	0.4
184.07518	0.7
184.11139	1.1
186.09129	1.0
187.12300	4.0
188.06984	0.4
188.10719	0.8
189.10268	0.4
190.04977	5.0
194.09641	0.5
196.09663	0.4
196.11275	0.4
197.08385	0.6
198.09138	21.2
199.08624	0.4
200.09151	2.3
200.10834	1.1
201.13878	0.8
204.06546	27.4
207.06508	0.6
209.08286	0.4
209.10558	0.4
210.09296	0.5
211.08548	0.4
212.07175	0.4
212.10771	4.6
213.10251	1.2
215.11790	19.4
216.10353	0.3
222.98972	0.3
225.10242	1.1
226.08661	6.0
226.10739	0.7
227.08235	0.8
227.11726	1.9
228.08818	0.7
229.09637	0.6
229.13350	1.0
231.11330	0.9
234.77777	0.3
236.09381	0.5
237.10246	0.6
239.09369	0.5
239.11772	0.9
240.10445	2.7
240.12471	0.6
241.09714	2.8
241.13313	1.6
242.10422	1.9
243.11275	100.0
244.11629	1.4
251.11821	0.7
253.09744	1.1
255.11293	8.7
256.11969	1.0
257.12808	6.4
264.08896	0.5
265.09726	0.7
267.11267	0.9
269.09164	0.5
269.12677	0.3
277.09698	0.4
279.07901	0.4
279.11188	1.0
281.09201	0.4
283.10754	2.8
284.11670	0.7
285.12314	98.8
286.12741	2.3
293.09137	0.5
297.12219	1.7
301.11765	0.8
303.13391	6.9
307.10809	1.0
311.10251	0.8
313.11630	0.3
325.11835	5.4
326.12717	0.4
338.13174	0.4
339.13132	0.5
343.12921	2.5
346.15433	0.4
357.14478	5.2
358.15350	1.0
371.15991	1.1
389.17123	1.6
399.15482	19.2
400.16342	0.7
412.16583	0.4
415.15250	0.7
416.15704	0.6
417.16547	43.1
418.16876	0.9
428.16138	0.4
433.16003	6.9
434.16824	0.4
435.17615	41.6
436.18286	0.6
444.15359	0.4
470.17410	1.0
472.31900	0.5
473.15372	0.7
476.17746	0.5
487.17096	1.3
519.19574	0.5
550.22119	1.0
555.22479	0.5
562.21625	0.7
581.22778	0.4
588.19623	0.5
594.20844	1.7
597.23407	1.0
606.21014	1.8
608.22345	2.6
609.23499	1.0
620.22400	0.4
623.25061	0.6
626.23792	0.9
641.25372	0.5
652.24530	0.5
677.46899	0.4
687.29968	0.5
713.27747	1.3
715.29614	2.9
723.26807	0.5
731.29016	0.6
741.27185	2.6
755.28906	0.9
759.28497	8.7
773.30090	8.2
791.31000	1.3
935.34595	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5624
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05413	15.2
67.05817	1.7
69.03338	2.6
69.06975	4.5
70.06537	0.4
70.19349	1.0
71.04894	1.0
73.02821	2.5
74.06001	0.4
79.05395	15.0
79.05889	1.2
80.04954	0.7
81.03310	1.3
81.06958	15.6
81.07487	1.2
82.06496	0.6
83.04878	0.9
83.08516	2.5
84.04446	0.3
85.02803	7.9
85.03353	0.7
85.06470	0.6
89.75774	0.2
91.03853	4.0
91.05474	21.6
92.07026	0.7
93.07037	14.2
93.07578	0.8
94.06470	0.6
95.04851	2.6
95.08599	12.1
95.09161	0.7
96.04397	0.7
96.08053	0.3
97.02885	6.3
97.03452	0.3
97.06414	1.1
97.10077	0.8
98.20868	0.3
99.04374	0.7
99.08025	0.7
103.05357	0.9
105.04417	0.6
105.07023	20.7
105.07662	1.1
106.06501	0.4
107.04845	1.0
107.08585	8.1
108.08066	0.5
109.02782	0.8
109.06399	1.2
109.07046	0.3
109.10140	5.5
110.09590	0.3
111.07957	0.9
111.11615	0.3
115.03844	0.4
115.05331	1.6
116.06116	1.3
117.07007	13.6
119.04832	1.2
119.08573	5.9
120.08053	0.6
121.06373	0.9
121.10136	5.9
123.07948	0.8
123.11588	1.0
125.09551	0.5
127.03896	1.8
127.29559	0.3
128.06216	2.5
129.06999	9.2
130.07674	0.7
131.08557	29.4
131.09946	0.8
132.07942	0.5
133.06363	1.2
133.10123	4.1
134.09546	0.3
135.04306	0.4
135.08075	1.7
135.11697	3.2
136.07486	0.3
137.09531	0.5
141.06955	1.3
142.07648	0.9
143.08551	5.4
144.09200	0.3
145.04852	1.0
145.06343	1.0
145.10110	9.9
147.08031	2.3
147.11685	1.4
149.09460	1.0
149.13211	1.4
151.11101	0.4
155.08557	2.2
156.09099	0.3
157.06334	0.3
157.10120	4.5
159.07944	1.1
159.11699	2.3
161.09531	1.1
161.13167	0.8
162.99144	0.3
163.14720	0.4
165.06873	0.3
166.07735	0.3
167.08459	0.9
169.10106	1.3
171.07939	0.5
171.11700	1.6
173.09508	0.4
173.13152	0.9
175.11115	0.4
175.14795	0.4
177.12627	0.5
181.10100	2.7
182.10768	0.3
183.11566	0.7
185.09537	0.3
185.13156	1.0
186.70134	0.3
191.73885	0.3
194.15372	2.9
195.11655	1.4
197.13196	0.7
199.11073	0.3
212.16437	0.5
213.16241	0.8
223.14830	1.7
230.18857	0.4
231.17395	0.7
241.15938	1.4
250.17741	0.4
258.18524	3.2
259.16913	5.0
261.22116	0.9
268.18997	1.1
276.19574	3.1
277.17899	0.4
286.19983	0.8
292.19299	0.3
332.21957	0.4
333.20633	5.8
333.24451	0.3
335.25790	15.6
350.23175	2.9
368.24216	1.2
416.25308	0.4
497.31131	0.5
536.40448	0.3
546.41644	1.8
549.94366	0.3
593.41821	3.3
610.44818	3.0
611.42957	0.6
628.45673	100.0
629.46118	2.1
670.46973	0.6
706.47034	0.6
736.47443	0.7
754.48804	2.1
772.50378	1.7
781.97791	0.4
790.50897	29.2
791.51343	0.5
808.69104	0.3
934.56873	0.4
952.56122	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	952.5626
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	14.7
68.05007	0.3
69.03425	3.0
69.07067	3.8
70.06614	0.4
70.73135	0.5
70.73467	0.6
71.01352	0.5
71.04993	1.0
73.02901	2.6
74.06093	0.4
77.03925	0.4
77.55191	0.3
78.95467	0.2
79.05491	14.7
80.05010	0.8
81.03410	1.4
81.07056	14.9
82.06580	1.1
83.04971	0.8
83.08610	2.5
85.02901	9.4
85.06580	0.4
91.03957	4.1
91.05477	21.8
91.87231	0.3
92.07111	0.3
92.81834	0.3
93.07041	12.9
94.06581	0.7
95.04967	3.2
95.08601	10.9
96.04508	0.8
96.08149	0.6
97.02886	6.8
97.06531	1.0
97.10162	0.8
98.06026	0.3
99.04475	0.6
101.02379	0.6
103.05486	1.5
105.03371	0.3
105.04514	0.4
105.07027	20.1
106.06536	0.4
107.04947	1.3
107.08594	6.2
109.02903	0.8
109.06516	1.2
109.10146	4.4
111.08098	0.7
115.03899	0.4
115.05425	1.7
116.06240	1.2
117.07011	13.7
118.06546	0.4
119.04971	1.3
119.08575	6.1
120.08102	0.8
121.06519	0.9
121.10137	5.1
123.08088	0.7
123.11709	0.9
127.03883	1.4
128.06216	2.4
129.06999	9.3
130.07788	0.7
131.08560	29.7
132.08113	0.4
133.06467	1.4
133.10135	3.6
135.04440	0.4
135.08040	1.4
135.11676	2.5
137.09587	0.5
141.06955	1.5
142.07791	0.9
143.08559	6.7
144.06491	0.4
145.04991	1.1
145.06537	0.8
145.10115	10.0
147.08041	2.7
147.11708	1.2
149.05966	0.3
149.09612	1.3
149.13258	0.9
151.11118	0.4
155.08549	2.4
157.10127	4.5
159.08101	1.2
159.11694	1.6
161.09628	1.0
161.13272	0.7
163.06027	0.6
163.14793	0.4
165.06964	0.3
166.07870	0.5
167.08601	1.1
169.10136	1.0
171.08035	0.4
171.11682	2.2
171.70290	0.3
173.13281	0.7
175.11165	0.3
177.12750	0.4
179.08650	0.3
181.10164	2.2
182.66345	0.3
185.13272	0.5
187.14896	0.7
193.10056	0.3
194.15370	2.6
195.11726	1.3
197.13327	0.7
199.14783	0.3
212.16423	0.6
213.16406	1.3
223.14784	1.6
231.17374	0.4
241.15829	1.4
243.17543	0.3
258.18503	2.9
259.16916	3.9
261.22092	0.5
268.19159	0.8
276.19574	3.7
286.20111	0.5
332.22232	0.7
333.20605	5.6
333.24231	0.5
335.25775	12.0
336.26187	0.6
350.23221	3.8
361.27533	0.3
368.24539	0.6
438.24921	0.5
529.95728	0.3
546.41437	1.4
579.62323	0.3
593.42053	2.9
601.14032	0.4
610.44751	2.4
611.43237	0.7
628.45685	100.0
629.46631	2.0
670.46729	0.7
706.46600	0.6
718.58417	0.4
736.47705	0.7
754.49005	1.5
772.50006	2.1
790.50891	27.6
791.51166	0.8
952.56079	8.7
953.56238	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5802
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	35.5
69.03426	1.4
69.07068	17.0
70.06585	2.1
71.04974	1.8
71.08627	2.7
79.05498	11.7
81.03435	1.6
81.07051	45.7
83.04979	1.1
83.08620	11.1
85.02915	2.5
85.10162	1.2
86.09702	1.7
91.03951	1.5
91.05471	9.4
93.07049	14.9
95.04964	1.6
95.08601	38.0
97.02872	1.6
97.06525	3.7
97.10159	5.2
98.98463	23.8
99.08092	2.6
105.07030	5.5
107.08601	9.0
109.10145	16.4
111.08067	2.5
111.11703	1.3
113.09612	1.5
116.99562	1.0
117.07089	1.2
119.08562	4.2
120.08073	0.9
121.10162	10.4
123.08069	2.2
123.11705	8.3
131.08546	1.4
133.10130	9.2
135.11728	5.6
137.09650	1.2
137.13232	4.1
147.11682	5.2
149.13235	4.2
151.14847	3.3
155.01035	17.2
157.10094	1.0
159.11742	1.3
160.92950	0.9
161.13284	3.8
163.14801	4.1
165.16376	2.3
173.02129	6.0
175.14848	4.4
179.18027	1.7
189.16249	1.0
197.59177	1.1
209.05620	0.8
215.37350	0.8
218.82179	0.9
230.05832	1.2
245.22624	21.3
263.23703	38.5
313.27106	1.5
335.25815	1.8
337.27344	100.0
355.28632	1.4
417.23996	1.5
499.32983	7.7
609.44952	1.4
623.87463	0.9
640.49738	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	61.7
69.03414	7.7
69.07063	16.4
69.29743	27.1
71.04973	2.9
73.02905	6.3
79.05051	4.0
79.05486	52.7
81.03407	4.7
81.07050	69.0
83.04974	6.1
83.08627	11.9
85.02905	20.1
91.03937	9.2
91.05470	75.9
93.06458	4.7
93.07034	60.1
95.04958	11.0
95.08039	3.9
95.08602	48.0
97.02870	12.6
97.06517	6.0
97.10151	9.1
103.05427	4.9
105.07021	56.6
105.07670	4.5
107.04939	4.5
107.08582	25.1
107.70113	2.2
109.06544	12.4
109.10144	13.9
111.08086	4.8
115.05451	7.1
116.06228	4.8
117.07002	38.6
119.08583	35.0
121.06503	9.5
121.10125	17.4
123.08045	9.2
123.11658	3.1
123.72057	2.0
125.09597	3.4
127.03934	5.2
127.99036	2.2
128.06219	22.5
129.07010	25.0
130.07822	10.7
131.08553	76.7
133.06491	14.8
133.10110	20.3
135.08058	6.0
135.11673	8.6
137.09605	4.0
141.06964	9.7
142.07713	4.9
143.08543	81.2
145.04944	4.1
145.06464	4.2
145.10109	70.8
147.08044	18.2
147.11678	9.6
149.09608	4.0
149.13235	4.2
154.07761	3.1
155.08557	13.3
157.10127	21.4
159.08043	5.3
159.11685	21.9
161.09599	13.8
163.11206	5.6
165.07021	4.8
166.07729	2.6
167.08594	5.1
169.10106	16.2
171.11670	20.3
173.09671	5.9
173.13252	4.4
175.11160	7.5
177.12724	9.3
180.09441	2.1
181.10138	12.1
183.11705	9.5
185.09627	3.8
185.13240	7.5
195.11684	20.8
197.13303	2.9
199.11136	4.3
199.14819	4.1
201.12740	4.0
209.13268	2.6
211.14841	3.5
213.12759	3.1
227.17883	5.6
237.16396	27.4
241.14325	5.3
245.19093	6.5
255.17397	38.2
261.22113	4.6
273.18451	91.3
291.19632	3.4
329.21072	11.4
335.25760	100.0
335.39871	2.5
336.26190	2.9
347.22171	54.8
406.65900	2.2
417.22192	4.3
607.43524	96.3
625.44604	10.4
660.09216	3.3
803.12042	2.7
949.49780	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	949.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	34.9
67.05869	1.8
68.54961	0.7
69.03434	5.2
69.07062	10.5
70.20753	2.9
71.04967	2.5
71.08598	0.7
73.02915	3.5
75.16135	0.8
77.03920	0.9
79.05487	28.9
81.03437	1.7
81.07051	39.8
83.04976	1.6
83.08608	6.3
85.02905	9.1
85.06528	1.1
91.03967	4.2
91.05476	33.3
93.07036	30.4
95.04964	6.6
95.08601	28.0
95.09061	0.5
95.09221	0.9
97.02872	4.5
97.06528	4.6
97.10152	2.8
99.04420	1.2
102.28116	0.7
103.05506	1.4
105.04539	0.9
105.07024	28.4
107.04960	2.2
107.08594	14.2
109.02898	1.0
109.06512	8.8
109.10155	9.1
111.08061	2.7
115.05418	4.1
116.06236	2.2
117.07018	17.8
119.08578	16.0
121.06495	5.1
121.10135	11.6
123.08095	4.2
123.11700	2.7
125.05984	1.1
125.09622	1.7
127.03911	1.8
128.06219	7.6
129.06999	12.1
130.07773	5.3
131.07568	1.6
131.08562	32.6
133.06480	6.5
133.10115	12.2
135.08037	2.9
135.11676	6.0
137.09595	2.2
137.18814	0.7
139.11157	1.1
140.73795	0.9
141.07004	4.6
142.07762	2.9
143.08553	34.2
144.09232	0.8
145.04948	1.7
145.06544	1.1
145.10114	33.8
147.08054	6.4
147.11687	5.8
149.09630	2.1
149.13217	2.6
151.07574	1.4
151.11140	1.7
155.08537	3.2
156.09346	1.0
157.10130	10.0
159.08075	3.3
159.11664	13.6
161.09595	9.7
161.13257	2.6
163.11162	2.5
163.14851	0.9
165.06972	1.2
166.07750	0.8
167.08548	2.1
169.10085	6.9
171.08130	1.4
171.11665	7.1
173.09651	2.0
173.13254	3.4
175.11115	5.5
177.12752	6.4
179.08554	1.0
180.09190	1.1
181.10088	5.5
183.11652	4.8
185.09587	1.0
185.13248	3.5
187.11183	1.5
187.14824	1.2
189.12813	1.0
195.11713	9.3
197.13222	1.1
199.11151	2.1
199.14838	1.4
201.12747	1.3
201.82527	0.8
207.11702	1.0
209.13269	2.4
211.14769	1.6
213.12839	2.0
213.16306	1.0
221.51370	0.9
227.17911	3.2
231.13762	1.5
237.16370	10.5
241.14299	1.0
245.18976	3.3
255.14740	1.4
255.17401	14.4
261.22110	3.4
273.18463	45.1
275.19980	0.9
280.77081	0.8
291.19513	1.9
301.21613	0.9
329.21136	5.7
335.25784	100.0
336.26184	1.3
347.22156	27.4
365.23157	1.1
378.33838	0.8
417.22510	1.3
435.23584	1.2
589.41870	1.5
607.43518	60.9
608.43530	1.9
625.44574	7.9
787.49329	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.371
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	1.4
69.03426	4.2
69.58614	2.8
69.59026	2.4
70.06607	3.8
73.02934	1.3
77.03939	1.0
79.05503	2.3
80.05029	1.9
81.03427	8.6
81.05811	0.8
81.07066	1.2
82.06571	0.9
83.04996	1.0
84.08142	1.0
85.02917	5.2
86.09705	1.8
89.03937	0.7
91.05482	3.8
92.05054	0.7
93.05795	2.7
93.07051	4.2
94.06573	10.6
95.04977	2.0
95.07358	2.5
95.08610	1.3
96.08134	4.6
97.02903	3.4
97.06528	1.2
103.05504	1.6
105.07047	0.8
106.06567	1.4
106.52968	0.8
107.07373	2.1
108.04520	2.7
108.08125	16.0
109.02927	3.0
110.06091	0.8
110.09687	8.6
116.04977	1.8
118.06577	2.1
119.05007	1.0
120.04486	4.8
120.08114	11.4
121.06514	0.9
122.06033	9.3
122.09660	4.6
123.04446	1.4
124.07610	5.3
127.03922	2.7
129.06967	0.8
130.06535	0.9
132.08098	1.8
134.06027	4.9
136.07584	16.4
136.08527	0.6
137.05994	1.3
138.09143	14.1
144.04425	4.0
144.08102	1.6
145.02870	1.3
146.04379	0.9
146.04691	0.8
146.06009	15.7
146.07069	1.1
147.04482	1.0
148.07588	9.3
150.09120	3.8
151.03891	1.0
152.07111	1.9
158.06055	0.8
160.03969	4.9
160.07672	1.1
162.05548	4.5
163.07278	1.8
164.07083	2.5
166.08656	13.4
167.07181	3.3
169.07663	0.9
172.03947	13.4
172.07634	2.4
174.05498	6.2
176.07138	3.3
177.05504	1.2
178.04977	0.9
178.08595	1.0
181.05057	1.3
181.09027	0.8
182.08325	0.9
182.09737	1.8
183.09201	1.3
184.09966	1.4
186.05609	1.6
186.09200	1.7
187.08682	1.4
188.07094	1.2
190.05008	18.6
193.05029	0.8
195.09322	1.3
196.09979	1.0
197.10812	3.3
198.07695	1.2
198.11473	1.0
199.08667	1.1
199.12292	5.7
200.07126	0.9
201.10231	0.8
204.06570	9.6
204.08177	0.8
207.06570	1.7
208.09862	0.8
209.10851	1.1
210.09183	2.9
210.11429	1.5
211.08696	4.2
211.12364	2.4
212.09515	3.0
213.10298	1.1
215.06813	0.7
221.10715	1.0
222.11595	0.7
223.08723	2.1
223.12350	1.8
224.09534	2.5
225.10219	13.4
226.08810	1.4
226.11023	2.6
227.11797	32.4
234.11559	1.0
235.08731	1.3
236.09499	2.5
237.10201	6.7
238.11092	3.1
239.11795	7.7
240.12544	1.7
241.09859	1.1
241.13583	3.3
243.11435	0.9
245.12900	1.6
246.11378	1.2
249.10318	3.9
250.11095	1.8
251.08250	2.5
251.11757	4.8
253.09778	7.2
253.13506	2.1
255.11311	5.0
257.12936	1.3
261.10321	1.7
262.11084	1.6
263.08304	3.9
263.11890	1.4
264.09036	3.1
265.09665	5.1
266.10516	1.6
267.11325	6.9
269.12863	11.5
271.10794	11.1
273.12460	3.7
275.11795	1.4
277.09818	4.9
277.13043	0.9
278.10431	1.2
279.11288	11.3
281.09497	1.5
281.12906	2.4
283.10645	3.4
284.11566	1.2
285.12360	4.6
286.13162	1.1
287.14059	2.6
289.09875	0.8
289.13538	0.8
291.11273	2.2
293.09464	1.8
293.12820	1.9
294.10187	1.0
295.10928	3.0
296.11697	1.2
297.12320	8.6
298.13428	0.9
299.14059	4.8
300.11584	1.0
302.13147	1.9
303.11273	1.0
305.09308	1.5
307.10880	3.2
309.12634	1.1
312.15030	1.4
313.12244	2.1
314.13177	2.4
315.14008	2.1
316.14584	2.7
317.15530	0.9
318.16272	1.0
319.10895	1.4
321.12448	2.3
323.10455	1.7
325.11826	11.1
325.15356	1.0
326.12988	1.3
326.16400	0.9
327.13763	3.3
327.17407	1.1
328.10971	2.5
328.14655	2.9
329.11746	1.8
329.15198	3.9
330.12338	2.1
330.16153	4.9
331.13406	1.3
331.16980	2.8
332.17578	1.4
334.09381	0.9
335.14005	1.7
337.12598	1.2
339.13568	2.9
340.14645	1.7
341.11990	1.1
341.15808	0.9
342.12576	10.2
342.16248	2.7
343.13214	7.7
343.16785	1.6
344.14050	3.9
344.17838	1.8
351.13803	1.7
352.14728	1.7
353.12128	1.0
354.12448	2.4
354.16199	2.4
355.13284	3.8
356.13931	8.7
356.17426	0.9
357.14737	6.0
358.15570	9.8
359.16437	1.0
360.17401	1.4
361.15283	0.8
365.15350	1.5
366.16183	1.8
367.12988	1.7
368.14020	1.6
368.17920	1.3
369.14966	2.5
370.11600	1.6
370.15509	6.7
371.16516	2.4
372.13351	1.2
372.17297	4.7
377.15125	1.0
380.14139	2.1
381.14911	1.3
382.11667	5.3
383.12482	4.2
384.13498	3.1
384.17438	2.0
385.14240	2.8
386.14752	5.8
386.19312	1.4
388.16861	2.2
394.15701	2.7
395.16272	3.9
396.13113	1.3
396.17511	1.3
397.14426	2.2
398.14938	25.1
399.15836	19.3
400.16589	6.4
404.16290	1.7
409.14270	0.9
410.15286	1.2
412.16568	4.8
413.17337	4.9
414.18408	2.3
416.15826	5.1
417.16956	1.3
418.17807	0.9
422.15024	1.6
423.15112	1.3
428.16110	2.7
429.16922	1.0
430.17786	2.1
431.18265	3.6
440.15939	5.6
441.16876	2.0
446.17224	1.5
458.16882	4.6
460.19003	1.0
470.17166	1.0
472.18958	1.9
476.17883	1.1
482.17139	1.0
483.17969	1.1
484.18695	1.3
486.20572	1.4
487.16949	1.8
500.18515	2.7
514.20062	1.4
520.20056	0.9
522.21851	1.2
526.20270	1.0
528.20850	1.1
530.19354	1.7
532.20972	1.8
533.65680	0.8
534.22565	2.0
540.21338	1.8
542.19464	2.2
546.22638	1.9
548.19928	3.4
551.23041	1.6
554.19128	3.4
556.20819	1.8
557.21857	2.9
558.22723	1.5
560.20160	5.2
566.20160	2.9
572.20288	4.0
574.22034	0.9
575.23206	0.9
584.20294	5.7
590.21381	8.6
593.24237	3.0
602.21252	22.0
611.25012	1.1
616.22107	1.2
622.24304	0.9
634.23969	2.5
653.26068	2.1
673.26605	1.7
683.29498	0.7
691.27850	2.2
693.29370	3.0
701.25977	2.9
709.28278	2.1
710.25293	1.1
711.30884	1.3
713.28168	2.0
716.24609	1.1
719.27264	12.3
722.26666	1.0
727.29547	4.3
728.24457	2.1
729.29828	0.9
734.25555	1.3
737.28137	15.0
746.25104	1.4
752.26782	2.6
755.29169	49.6
756.29181	1.1
764.26611	8.1
767.70428	0.8
787.31750	3.3
815.31055	1.2
835.32294	1.1
853.32794	2.3
855.35004	1.5
863.31256	2.6
871.34235	3.8
873.36334	3.5
875.33990	2.3
881.32672	11.1
889.34894	6.0
899.33539	7.3
913.36047	0.9
917.34509	100.0
918.34924	3.2
949.36108	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	949.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	3.9
69.61609	4.9
69.62041	5.0
70.06597	6.8
73.02924	1.5
77.94917	1.2
79.05489	2.7
81.03400	6.0
81.05826	1.4
81.07057	1.7
82.06601	1.2
84.08138	2.1
85.02887	5.7
86.09702	2.2
91.05479	4.2
93.07037	2.6
94.06575	6.8
95.04971	1.3
95.07350	1.9
95.08595	1.6
96.08124	5.5
97.02880	3.1
103.05452	1.3
105.07013	1.5
107.04938	1.5
107.07324	2.3
108.04447	2.3
108.08105	14.3
109.02879	3.7
110.09671	8.4
116.05013	1.7
118.06536	1.4
120.04461	4.9
120.08099	9.5
122.06029	8.4
122.09642	4.2
124.07583	4.0
127.03902	2.6
132.04387	1.4
134.06030	3.4
136.07590	13.3
137.05988	2.2
138.09146	11.3
140.54315	1.2
144.04445	2.8
146.06004	12.8
148.07587	7.6
150.09160	2.1
158.09750	1.3
160.03897	3.7
162.05536	4.0
163.03983	1.6
164.07108	1.5
166.08624	11.4
167.07063	3.8
168.08032	1.5
172.03912	10.4
172.07578	1.7
173.45389	1.1
174.05530	5.3
176.07030	2.3
177.05638	1.4
181.04958	1.2
184.10051	1.9
186.05544	1.3
186.09073	1.6
188.07195	1.8
190.04971	15.1
197.10750	4.2
199.12334	3.2
200.07086	1.3
204.06516	7.6
209.08147	1.6
209.10852	1.2
210.09209	1.5
211.08647	3.4
211.12302	3.0
212.09319	1.8
213.10220	1.3
223.08789	1.2
223.12337	2.2
224.09402	2.0
225.10202	12.0
226.10907	2.3
227.11768	25.1
236.09415	2.0
237.10164	5.9
238.11070	2.0
239.11774	6.1
240.12657	1.8
241.09608	1.4
241.13307	2.1
249.10199	4.3
251.11819	5.5
253.09749	7.0
253.13263	2.4
255.11337	5.2
261.10440	1.3
263.08087	4.0
264.09030	2.2
265.09711	5.2
267.11292	6.0
269.12836	10.5
271.10687	7.9
273.12332	3.4
277.09723	4.2
279.11230	8.4
281.12698	2.2
283.10788	2.2
285.12289	4.5
286.13281	2.0
287.13916	2.5
293.12744	1.4
295.10641	2.0
297.12320	6.9
299.13980	3.5
302.12982	2.2
305.09146	1.6
307.10699	1.6
309.12149	1.9
314.12888	2.6
315.13843	2.1
316.10706	1.6
316.14459	3.9
317.15118	1.5
323.10321	2.4
323.13901	1.6
325.11734	7.3
326.12799	2.1
327.13623	2.2
328.14413	3.2
329.11566	1.5
329.15182	3.7
330.12274	2.9
330.15878	3.2
331.16769	3.1
338.17642	1.3
341.15280	1.8
342.12366	7.0
342.15820	2.7
343.13135	4.2
344.13895	4.4
354.12189	2.0
354.15973	3.0
355.13367	4.1
356.13974	8.1
357.14502	5.6
358.15524	11.1
367.12717	1.4
369.14655	1.8
370.15625	5.9
371.16034	2.7
372.17200	1.9
380.13867	1.9
382.11804	3.3
383.12631	1.9
384.17270	2.3
385.14114	3.4
386.14938	4.8
386.19159	1.8
388.16614	1.9
390.18436	1.8
394.15695	1.3
395.16019	4.0
396.13058	1.5
398.14935	23.6
399.15854	15.9
400.16409	6.1
404.16037	2.5
410.14706	2.0
412.16461	3.6
413.17087	5.3
414.18134	2.5
416.16061	5.6
417.16437	1.9
422.15332	2.1
428.15894	2.3
429.16248	1.5
431.18082	2.9
440.15961	6.4
441.16528	2.1
458.17050	3.5
460.18332	1.6
502.18765	1.5
506.17279	1.6
534.22241	1.9
542.19000	1.5
548.20148	2.8
554.18933	2.1
557.21521	2.3
558.22150	2.5
560.20111	5.2
566.20074	2.7
572.19983	2.1
584.20001	4.6
590.21082	6.9
593.23621	3.6
602.21375	21.3
603.21283	1.8
634.23376	1.7
673.25629	1.8
691.27356	3.1
709.28394	2.6
711.30200	1.8
713.28162	2.3
719.26953	8.7
727.29205	3.5
737.28400	11.4
752.25378	2.1
755.29181	41.8
756.29419	1.8
764.26593	8.0
787.31152	4.3
853.31763	1.6
871.33344	3.9
873.35596	5.8
875.32544	2.6
881.32092	13.1
889.34625	6.5
899.32971	5.8
917.34418	100.0
918.33624	5.0
949.36200	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	949.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99786	0.2
69.03420	0.9
69.41508	0.5
69.41944	0.5
70.06297	0.1
70.06593	1.4
70.31874	0.1
70.50248	0.1
71.01363	0.1
71.04987	3.8
71.06928	0.2
72.08147	0.3
73.02908	0.2
75.04477	0.3
78.04696	0.2
79.05503	0.2
81.03412	3.0
83.04966	0.3
84.04491	0.3
84.08171	0.3
85.02898	6.0
86.09689	0.5
87.04450	0.2
89.03909	3.9
89.97240	0.1
91.03933	0.2
91.05470	0.4
93.07059	0.2
95.04955	0.2
97.02878	0.8
99.04454	0.6
99.94792	0.1
103.05458	0.3
105.03393	0.1
106.04146	0.1
107.08560	0.1
109.02854	1.3
111.00793	0.2
111.04462	0.1
116.98631	0.1
117.03371	11.2
119.04926	0.2
120.08081	0.3
121.02831	0.4
121.06515	0.2
121.08383	0.1
124.05084	0.1
127.03907	1.6
129.04564	0.2
129.05452	1.0
133.10115	0.2
134.03601	0.7
135.04424	1.4
135.57271	0.1
136.07579	0.2
137.02327	3.6
137.06000	0.2
145.02834	35.2
146.03082	0.2
147.04410	0.3
147.06505	0.2
149.02341	0.4
149.05969	3.8
153.01819	1.3
161.06007	0.2
163.03899	1.4
165.01863	0.7
166.08678	0.2
171.02905	0.3
173.05957	0.2
177.05455	100.0
178.05785	0.8
183.02820	0.3
186.05470	1.0
187.03842	0.2
191.03320	0.1
195.06480	1.1
201.05510	0.4
205.04849	0.1
207.06548	0.3
215.03384	0.2
219.02771	0.1
229.04980	1.5
245.83528	0.2
247.05937	0.3
257.04459	1.5
261.03812	0.1
274.04794	0.2
285.03940	0.4
303.04968	47.6
304.05145	0.7
315.05038	0.3
321.09644	4.7
339.10721	8.0
345.06015	0.6
369.05972	0.2
465.09995	0.2
641.14807	1.5
948.82019	0.4
949.15509	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5491
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	53.5
69.03397	1.1
69.07063	13.1
69.94856	4.8
71.04977	1.5
71.08614	1.1
72.08179	0.8
74.04411	0.8
75.04474	1.7
76.62125	0.7
79.05489	39.3
81.03413	1.6
81.07052	63.4
83.04970	1.0
83.08620	6.7
85.02900	1.5
85.06536	2.4
85.64526	0.7
86.57730	0.8
91.05474	21.8
93.07037	57.3
95.04955	3.6
95.08600	51.4
97.02893	1.1
97.06531	2.6
97.10165	2.5
98.98457	60.0
99.08080	2.2
105.07021	17.0
107.08588	35.5
109.06495	1.7
109.10146	26.7
109.43193	1.0
111.08085	1.9
113.09638	1.7
115.30699	0.8
116.20084	0.9
116.99500	3.2
117.07000	7.3
119.08573	13.7
121.10136	31.0
123.08093	1.9
123.11692	12.5
125.09603	2.4
127.11235	0.8
129.05510	1.1
131.08553	17.2
133.10135	13.9
135.11693	23.7
137.09613	2.5
137.13261	7.6
139.11124	2.0
140.01015	0.9
145.10117	15.2
147.11681	12.2
149.09610	0.9
149.13245	23.6
149.76581	0.8
151.11157	2.5
151.14774	1.8
153.12752	1.6
155.01019	27.8
157.10022	0.8
159.11670	14.5
161.13234	12.0
163.11201	1.2
163.14807	12.4
165.12662	1.2
173.02116	9.2
173.13252	14.9
175.14836	4.4
177.12715	2.0
177.16388	5.7
179.14320	2.8
182.85054	0.8
187.14818	7.0
191.14281	2.3
201.16370	3.2
205.15851	1.6
215.17937	1.4
217.19456	0.8
219.17398	1.3
220.01628	0.8
233.22656	4.2
243.21068	34.9
261.22119	100.0
262.22610	1.2
263.23428	1.1
279.23175	2.1
299.23788	0.9
312.56436	1.0
317.24768	5.2
335.25781	59.4
353.26865	18.8
415.22461	7.5
497.30765	5.2
513.66272	0.8
579.32092	0.8
644.49005	0.9
739.23315	0.9
827.77979	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	42.4
69.03419	0.7
69.07063	9.5
70.01880	2.7
71.04985	1.6
71.08627	0.9
73.02921	0.9
75.04474	0.9
79.05486	26.0
81.03423	0.7
81.07053	49.4
83.04974	1.2
83.08610	4.4
85.02891	2.0
85.06538	1.5
86.09687	1.0
91.03958	1.0
91.04896	0.7
91.05467	12.9
93.07037	35.3
95.04957	2.6
95.08601	41.0
97.02888	1.3
97.06512	2.5
97.10152	2.0
98.20768	0.8
98.98461	33.3
99.08088	1.8
105.06373	0.9
105.07023	9.8
107.08588	23.0
109.06511	1.1
109.10152	18.9
111.08075	1.4
113.09674	0.7
116.99492	1.5
117.07012	5.5
119.08569	9.8
121.10135	19.8
121.11028	1.0
121.60143	0.6
123.08037	1.2
123.11693	7.5
127.03854	1.2
127.59155	0.5
131.08562	10.6
133.10107	8.1
133.85693	0.6
135.11688	14.7
137.09631	1.1
137.13260	3.2
139.11224	1.1
145.10130	7.0
147.11688	6.1
149.09583	0.6
149.13254	10.4
151.11185	0.9
151.14769	1.4
155.01039	6.5
159.11682	7.3
161.13226	6.6
162.88275	0.6
163.11148	1.0
163.14798	7.0
165.12720	1.3
169.12019	0.7
171.11809	0.8
173.02118	6.0
173.13246	7.5
175.14816	2.4
177.12775	1.2
177.16414	2.8
179.14258	1.0
187.14830	3.8
189.31432	0.7
191.14243	0.6
201.16389	1.8
205.15919	1.1
233.18878	0.7
233.22595	2.5
243.21063	17.2
261.22131	53.8
262.22430	1.1
263.23718	0.7
279.23300	1.1
317.24719	3.1
335.25781	100.0
336.26111	2.3
353.26834	10.3
415.22412	2.4
456.30225	0.6
497.31094	8.5
514.17419	0.7
730.49493	0.7
846.66003	0.6
911.20483	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	938.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	3.6
67.05501	100.0
68.25448	1.6
69.03413	6.3
69.07066	17.9
69.14670	1.4
70.06597	2.1
71.04978	4.3
72.54291	1.6
73.02900	4.5
77.73992	1.3
79.05489	58.5
79.86826	1.4
81.03408	10.0
81.07053	68.3
83.04962	6.3
83.08625	15.3
84.96466	1.4
85.02899	26.1
85.06531	4.3
87.04441	5.3
91.03967	10.3
91.04968	2.0
91.05479	29.5
91.06010	1.2
93.07038	52.0
93.07621	3.1
95.04955	8.9
95.08601	48.8
97.02866	11.8
97.06510	6.3
97.10164	23.4
99.04445	1.8
103.06854	1.5
105.06376	1.8
105.07024	19.2
107.04934	3.4
107.08579	33.0
109.02856	1.8
109.06474	3.6
109.10150	60.7
111.04463	2.3
111.08063	3.9
117.06993	9.6
119.08569	18.7
121.10134	25.3
123.08076	3.1
123.11694	6.0
125.09616	16.7
127.03950	3.2
129.06995	2.5
131.08563	14.9
133.10114	13.5
135.11681	13.9
136.12032	1.4
137.09596	4.0
139.11179	2.8
143.08554	2.8
143.10677	3.0
145.04944	5.6
145.10123	11.1
147.11649	7.7
149.09619	3.6
149.13243	5.9
155.10672	2.3
157.10040	2.5
158.10623	1.5
159.11630	7.4
161.13249	5.5
163.06003	4.1
163.11145	4.2
163.14798	3.8
173.11711	14.0
173.13286	4.8
175.14816	2.5
175.27011	1.6
177.16473	1.6
183.11653	1.8
187.14769	4.0
189.11177	2.7
190.72339	1.3
191.10698	2.2
193.12224	2.5
199.13306	8.0
199.16989	1.9
209.11684	4.4
213.16385	1.6
217.14284	2.6
227.12762	8.6
229.14336	48.9
243.21046	5.6
243.69266	1.6
245.13815	3.5
259.20758	2.5
261.22104	19.2
267.15866	7.4
277.21753	1.7
283.15381	2.5
289.21292	2.1
301.16412	18.4
309.21811	1.9
315.08679	1.4
315.23123	1.8
317.24625	3.7
333.24057	2.3
335.25797	86.0
336.26236	2.3
363.25223	2.0
375.73660	1.5
459.34726	2.2
469.32724	1.7
477.35791	9.3
478.23016	1.6
487.34393	1.6
489.35678	21.3
525.35754	2.0
543.36639	7.4
561.37799	11.2
579.39209	3.6
734.83557	1.6
938.53491	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	0.7
69.03430	1.2
69.07072	0.6
70.06616	1.2
71.04999	0.9
71.18307	0.9
71.18619	0.5
79.05475	0.8
81.03413	1.6
81.07034	0.5
82.06569	0.6
84.08144	0.8
85.02898	1.5
86.09708	0.5
91.05503	0.9
93.05781	0.7
93.07050	1.2
94.06546	3.8
95.04985	0.8
95.07342	1.3
96.08136	3.8
97.02876	1.3
103.05479	0.6
106.06559	1.0
107.07330	0.6
108.04480	1.7
108.08121	7.0
110.06032	0.6
110.09679	5.8
111.50431	0.5
116.04964	1.1
118.06605	0.7
120.04482	2.8
120.08096	5.4
122.06034	4.9
122.09682	0.7
124.07580	3.4
132.04488	0.8
134.06001	2.3
136.07570	7.0
138.05438	0.7
138.09161	7.3
144.04446	3.6
146.06006	3.6
148.07553	3.1
150.09145	1.0
152.07071	1.0
160.03947	3.4
162.05542	2.5
164.07071	1.2
166.08636	8.8
166.09935	0.9
167.07198	0.8
167.09198	0.5
169.97823	0.5
172.03922	15.0
172.07610	1.3
174.05534	1.7
176.07091	1.5
177.05472	0.7
178.05106	0.7
182.09689	0.8
184.09944	1.1
187.20648	0.5
190.04985	9.9
196.10106	0.6
197.10793	1.5
199.12271	3.1
204.06548	24.4
207.06534	0.6
209.10786	0.9
210.09206	1.9
210.11205	0.6
211.08702	2.3
212.09477	1.2
221.10861	0.7
223.08707	1.5
224.09424	1.4
225.10194	6.7
226.10968	0.8
227.11775	22.3
235.08815	0.8
236.09615	1.1
237.10291	3.1
238.11011	1.4
239.11792	1.7
240.86980	0.5
241.09744	1.0
241.13477	0.9
245.12973	0.6
249.10378	2.3
251.11893	2.7
253.09698	5.3
253.13487	0.8
255.11304	1.6
261.10205	1.0
263.08218	2.0
263.11670	1.2
264.08990	1.6
264.71588	0.6
265.09711	4.3
266.10464	0.9
267.11188	3.4
269.12851	7.6
271.10776	9.0
273.12448	2.8
277.09683	2.7
278.10458	0.9
279.11322	4.8
281.12946	0.9
283.10825	1.6
284.11493	0.9
285.12305	3.3
287.13953	2.2
291.11304	0.8
293.09326	0.7
295.10861	0.9
296.11899	0.8
297.12286	6.7
299.14011	1.2
300.22208	0.6
302.13074	0.8
305.09299	1.5
307.10852	1.7
309.12308	0.7
311.11237	0.6
311.14563	0.7
312.15308	0.7
313.12543	0.5
314.13016	1.5
315.13715	1.5
316.11115	0.6
316.14679	1.6
317.15158	0.9
321.12534	0.7
323.10355	2.1
325.11786	9.2
326.12668	0.9
327.13724	1.2
327.17441	1.0
328.11066	1.1
328.14594	1.4
329.11703	0.8
329.15244	1.6
330.12589	0.9
330.16068	2.8
331.13327	0.7
331.16721	2.4
339.13672	1.0
340.14716	0.9
341.11942	1.1
342.12540	3.9
342.16205	1.7
343.13120	5.4
344.14001	1.5
344.17773	0.6
352.14636	1.1
354.12238	0.9
354.16226	1.2
355.13419	1.7
356.13879	4.9
357.14441	12.2
358.15506	5.4
366.16016	0.9
367.13483	0.8
368.14160	0.9
369.14728	1.6
370.11981	0.7
370.15588	4.8
371.16357	1.9
372.17230	1.0
373.17807	0.9
380.14001	1.0
381.13815	0.7
382.11505	2.8
383.12189	2.5
383.16937	0.8
384.13043	3.1
384.17715	1.1
385.14307	2.1
386.14539	3.1
386.18930	1.4
387.16324	0.6
388.16513	0.7
390.18262	1.0
394.15668	1.4
395.14673	0.6
396.17340	0.7
397.14114	1.1
398.14966	20.5
398.19928	1.1
399.15744	23.1
400.16440	3.1
401.17416	1.0
404.16080	1.5
409.13962	1.6
412.16620	2.3
414.18115	1.6
416.15915	4.1
419.18088	14.4
422.15219	1.1
423.15536	0.9
428.16125	1.4
429.16690	1.2
430.17575	2.1
431.18771	0.7
432.18811	0.6
440.15961	5.1
442.17508	0.6
445.16049	0.9
451.14963	0.7
458.17221	3.7
464.21979	1.1
469.16269	0.8
476.21945	0.8
487.17078	3.3
490.19739	4.3
500.22659	0.7
501.19745	1.0
502.19632	3.9
505.22623	0.7
508.20505	1.1
514.19916	1.6
516.21155	1.2
522.22308	1.1
523.23468	1.0
526.19934	1.9
532.20850	1.0
536.20203	2.3
544.20752	6.3
546.22418	0.7
548.20227	1.7
551.22382	0.7
560.20288	2.2
562.21851	1.5
569.24066	0.8
572.20392	1.7
578.21289	16.5
590.21277	37.2
591.21814	1.0
593.23828	0.9
608.21991	0.6
610.24048	2.3
611.24805	0.9
622.23779	9.9
652.24518	0.7
654.26331	2.3
655.26837	0.8
679.27515	1.0
697.28955	1.6
699.30304	1.2
701.28015	2.3
707.26263	0.6
712.31915	0.6
715.29852	2.2
725.28101	8.9
743.29150	100.0
744.29590	4.7
775.31744	11.5
776.32361	1.1
887.33832	1.2
905.34399	12.7
937.37653	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	0.6
67.05495	0.6
69.03428	1.7
69.68070	1.6
69.68507	0.6
70.06578	1.2
71.04989	0.8
77.03940	0.3
79.05495	1.1
80.05038	0.9
81.03423	0.9
81.07056	0.6
82.06579	0.9
84.08158	0.4
85.02888	2.1
86.09697	0.4
86.46501	0.4
89.03918	0.5
91.05481	1.1
92.04992	0.6
93.05765	0.5
93.07035	1.4
94.06561	4.5
95.04999	0.7
95.07370	1.5
95.08588	0.4
96.08125	4.5
97.02886	1.4
97.06550	0.4
102.75629	0.3
106.06588	0.8
107.04964	0.4
107.07327	0.8
108.04484	2.0
108.08115	8.8
109.02876	0.4
110.06049	0.4
110.09679	5.9
115.03945	0.3
116.04971	1.8
118.06535	0.6
120.04469	2.9
120.08102	5.5
121.06464	0.3
122.06026	5.3
122.09672	1.4
124.07597	3.9
127.03925	0.7
130.06509	0.3
132.04491	0.4
133.05023	0.5
133.57542	0.3
133.95808	0.4
134.06004	2.9
136.07570	7.9
137.05997	0.4
138.05513	0.4
138.09137	8.1
144.04407	3.1
146.06021	3.8
148.07556	3.7
150.05507	0.4
150.09126	0.7
152.07101	1.0
155.08595	0.4
158.09628	0.6
160.03958	3.5
160.07565	0.4
162.05495	2.8
163.03909	0.6
164.07074	1.2
165.09128	0.3
166.08630	10.0
167.07176	1.1
172.03929	17.2
174.05513	1.8
174.09235	0.6
176.07066	2.2
177.05455	0.4
178.05019	0.8
182.09698	0.8
183.09134	0.7
184.09933	0.8
186.05536	0.7
187.08725	0.6
190.04984	11.4
193.04936	0.4
195.09210	0.6
196.07637	0.3
196.09853	0.5
197.10718	2.2
198.09219	0.6
198.11595	0.6
199.05162	0.3
199.08659	0.6
199.12317	2.4
201.10202	0.3
204.06551	27.8
207.09393	0.4
209.10771	1.4
210.07538	0.4
210.09198	1.3
211.08635	2.9
211.12309	0.9
212.09232	1.6
213.10252	0.9
221.10863	0.4
223.08665	1.2
223.12279	0.7
224.09309	1.6
225.10216	8.7
226.11050	1.4
227.11777	26.1
228.12350	0.5
229.13376	0.6
235.08775	0.8
236.09409	1.6
237.10190	3.3
238.11058	1.4
239.11775	3.0
240.12567	0.7
241.09813	0.7
241.13478	0.8
243.11375	0.6
245.12880	1.0
248.58238	0.4
249.10268	2.1
250.11009	0.7
250.74579	0.3
251.08272	1.4
251.11787	3.2
252.08923	0.7
252.12677	0.6
253.09695	6.0
253.13528	0.8
254.10480	0.5
255.11293	1.5
257.12891	0.9
261.10394	0.5
262.11221	0.4
263.08154	2.2
263.11505	0.3
264.08966	1.9
265.09711	4.9
266.10507	1.3
267.11243	5.6
269.09775	0.5
269.12830	9.3
271.10764	10.8
271.13776	0.5
273.12320	3.2
277.09741	3.2
278.10376	0.6
279.11249	5.4
280.11703	0.4
281.09537	0.6
281.12924	1.2
283.10733	1.7
284.11603	0.8
285.12335	4.6
286.13278	0.5
287.13916	2.4
289.09955	0.5
289.13400	1.0
293.09232	0.7
294.09961	0.6
295.10703	1.8
297.12302	7.2
298.13376	0.6
299.14053	1.4
301.12540	0.4
302.13104	0.9
303.13547	0.5
305.09290	1.2
305.61224	0.3
307.10742	1.6
309.12411	0.9
311.14438	0.5
312.11926	0.5
312.15170	1.0
313.12524	1.5
314.12854	2.0
315.13690	1.4
316.10748	0.9
316.14532	2.1
317.15250	1.0
318.16025	0.4
319.10992	0.5
321.08942	0.6
321.12570	0.8
323.10046	1.5
325.11804	9.2
326.12918	0.9
326.16626	1.3
327.13690	2.3
327.17340	0.7
328.10889	1.2
328.14536	2.6
329.11581	0.7
329.15176	1.1
330.12344	1.3
330.16113	2.7
331.13480	0.3
331.16934	2.3
338.12787	0.8
339.13580	1.1
340.14478	0.9
341.11954	1.4
341.15750	0.4
342.12466	6.0
342.16180	1.8
343.13049	6.0
344.13940	2.3
344.17673	0.9
345.14636	0.3
351.13800	0.4
352.14429	1.1
353.15710	0.4
354.12585	1.2
354.16113	1.1
355.12949	2.1
356.13931	6.8
356.17697	0.4
357.14478	13.3
358.15451	7.4
359.15976	0.5
360.17279	0.5
366.12161	0.7
366.16245	0.7
367.13449	0.8
368.14023	1.1
369.14688	1.4
370.11697	1.3
370.15634	5.8
371.16577	1.7
372.17291	1.9
373.17566	1.7
374.14651	0.6
378.18048	0.5
380.14081	1.5
381.14664	0.9
382.11823	4.4
383.11688	1.7
383.17017	1.7
384.12988	4.3
384.17313	1.4
385.13745	2.1
386.14575	3.3
386.18921	1.4
387.15732	0.5
388.16687	1.2
390.18179	1.0
394.15585	1.1
395.15591	0.4
396.17551	0.9
397.13809	1.5
398.14993	23.4
399.15741	25.6
400.16623	3.0
401.17224	1.0
402.18216	0.9
403.15195	0.7
404.15958	2.2
409.14026	1.2
410.14929	0.4
412.16534	3.1
413.17358	0.5
414.18228	1.3
415.15524	0.8
416.15948	5.4
417.16696	0.8
418.17413	1.1
419.18103	13.6
420.18835	0.9
422.14978	1.9
423.14835	0.4
427.15283	0.5
428.16196	1.4
429.16666	1.1
430.17661	1.9
431.18646	1.0
432.19318	0.5
440.16003	5.0
445.16312	0.7
446.16919	0.7
448.84250	0.3
451.14877	0.5
455.14548	1.0
458.16949	3.9
459.18097	0.6
462.19629	0.4
464.21902	1.2
469.16083	0.6
471.17688	0.5
472.23044	0.5
476.21909	0.9
486.19766	0.4
487.17172	3.7
488.21780	0.6
490.19672	3.7
498.20444	0.5
500.22580	0.6
501.19827	0.7
502.19760	3.9
503.20731	0.4
504.21140	0.6
508.20950	0.4
510.22296	0.9
514.19562	1.7
516.21533	1.8
518.22937	1.4
519.19360	0.7
520.20221	0.4
522.22314	1.5
523.23145	0.8
526.19879	1.6
532.21100	1.0
533.21899	0.5
536.20093	2.4
544.20813	6.8
548.20135	2.2
551.22833	0.9
560.20258	2.3
562.21924	1.4
569.24255	0.9
572.20306	1.5
573.97559	0.3
578.21246	14.0
579.21655	0.5
580.23090	0.7
590.21295	31.2
591.21478	1.6
592.23138	0.6
593.24451	0.7
608.22528	0.6
609.27405	0.4
610.23804	2.2
622.23877	10.3
625.29700	0.5
627.28192	0.5
655.27496	1.3
671.31116	0.7
679.27643	0.9
697.29004	1.7
699.30048	1.5
701.28387	1.8
715.29327	2.3
725.28198	8.0
742.28900	0.7
743.29144	100.0
744.29590	4.3
752.25763	0.4
770.41736	0.3
775.31793	13.1
776.31757	0.7
859.33728	0.5
869.32111	0.6
877.34833	0.5
887.33392	1.2
905.34442	15.1
906.34985	0.5
937.36627	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5523
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.1
67.05498	62.5
69.03417	4.9
69.07060	15.4
69.62718	1.9
69.63115	5.5
71.04982	3.0
71.08620	1.0
73.02906	3.0
79.05486	45.1
81.03410	80.7
81.07048	63.9
83.04976	6.9
83.08607	22.4
85.02888	8.8
85.06523	2.8
91.03948	5.5
91.05471	36.5
91.05919	0.8
93.07031	52.8
95.04348	1.8
95.04960	30.3
95.08594	45.3
97.02885	7.5
97.06512	4.4
97.10172	7.5
97.68972	0.8
99.08096	1.2
103.05460	0.9
105.07018	28.7
107.04949	8.8
107.08582	30.4
109.02863	1.0
109.06504	5.4
109.10138	24.7
111.04433	2.6
111.08060	7.8
113.05975	0.9
115.05412	1.4
117.06987	9.1
119.04993	1.1
119.06131	1.1
119.08569	25.0
121.06507	4.4
121.09303	1.8
121.10131	28.3
123.04397	2.7
123.08032	3.6
123.11672	6.3
125.09587	4.2
127.03894	3.1
128.06158	0.9
129.06987	9.2
131.05006	1.1
131.08557	21.3
133.06458	2.6
133.10117	16.0
135.08040	1.1
135.11688	15.5
137.09601	2.4
137.13219	2.1
142.07776	2.0
143.08566	3.1
145.04942	1.5
145.10094	11.1
147.04395	1.4
147.07994	5.0
147.11688	16.3
148.62852	0.8
149.09605	7.2
149.13258	8.4
151.14798	0.9
155.08530	2.7
157.10112	11.4
159.11687	10.1
161.09663	1.0
161.13271	6.3
163.05983	5.6
163.11124	3.5
163.14793	4.8
165.12772	2.6
169.10086	1.6
171.10240	0.9
171.11664	2.9
173.09668	1.4
173.13246	6.7
175.11168	8.7
175.14813	2.8
177.12746	1.2
177.16342	1.1
183.11617	1.5
185.13257	3.1
187.14798	3.7
189.11177	3.3
189.12715	1.6
193.12215	23.9
195.11748	1.3
197.13304	1.0
199.14793	1.3
200.72134	0.9
201.16376	2.4
209.23952	0.8
211.13234	2.6
221.15465	0.9
223.13098	1.0
225.16415	1.2
227.12787	7.4
235.13174	2.4
243.15929	1.3
243.21059	6.4
249.14696	4.0
259.13333	1.7
259.20578	1.3
261.22122	23.9
265.14404	0.9
267.15887	99.1
270.30191	0.8
273.14685	2.2
273.22217	0.8
279.23065	1.4
280.15448	0.9
285.22006	1.3
287.19778	1.0
290.37811	0.9
299.23492	1.5
301.14426	1.6
301.25204	8.2
303.23190	1.2
309.16846	4.7
313.27338	4.8
317.24734	3.9
335.25766	100.0
336.26062	1.7
337.27512	1.3
343.22556	1.3
359.25580	1.2
375.18219	0.9
403.24673	1.3
407.32837	0.9
417.31302	1.1
421.25809	3.2
435.27185	2.8
435.32501	4.7
449.28836	2.2
453.33508	9.7
454.29092	1.0
461.28717	1.1
471.34866	4.0
509.35910	2.7
527.37274	76.9
545.38318	73.6
546.39294	1.2
559.39862	2.2
569.38226	10.8
587.38782	1.7
623.39130	2.5
635.39294	4.7
653.39801	3.2
671.40845	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	0.3
67.05501	2.9
69.03427	3.2
69.07082	0.7
71.01375	0.3
71.05003	1.2
71.21687	0.5
72.10937	0.3
73.02515	0.2
73.02912	4.5
74.74291	0.3
79.05492	2.4
80.75379	0.2
81.03426	1.6
81.07050	3.5
83.05005	0.3
83.08607	0.3
85.02902	6.2
87.04501	0.3
91.03956	3.2
91.05478	1.5
93.07062	2.3
93.07593	0.4
95.04993	0.5
95.08601	1.6
97.02890	6.0
97.03499	0.3
99.04471	0.9
101.02376	2.0
103.03958	0.4
105.07059	0.7
107.08629	1.0
109.02892	1.0
109.10169	0.7
115.03959	0.7
119.08631	0.4
121.10158	0.8
123.11746	0.6
127.03885	1.5
131.08595	0.5
133.10115	0.5
135.11665	0.3
139.30646	0.3
145.04964	0.5
145.10141	0.4
149.13304	0.5
151.11249	0.5
159.11795	0.4
159.72701	0.3
185.04253	0.7
203.05363	1.1
243.08241	1.3
259.07889	0.4
267.15799	0.7
285.08096	0.3
298.00403	0.3
305.08661	0.4
323.95724	0.3
333.15411	0.5
335.25766	0.5
347.09497	3.7
351.92722	0.3
363.09134	1.1
365.10449	1.6
405.13654	6.7
405.18500	0.5
421.12903	0.4
485.23660	2.9
519.29266	3.6
533.78687	0.3
647.28827	4.2
681.34491	7.8
682.34644	0.4
763.45807	0.8
925.51251	100.0
926.51501	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	932.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	2.1
69.03440	6.8
70.06586	4.6
71.04990	3.1
72.08140	1.1
73.02908	1.7
79.05498	2.8
80.05035	2.1
81.03424	5.5
81.07071	2.4
82.06577	1.4
84.04521	1.6
85.02901	9.2
85.79562	0.9
86.09693	3.0
87.04480	1.2
91.05481	2.3
93.05772	1.0
93.07034	2.0
94.06551	5.8
95.04949	1.8
95.07313	1.7
95.08643	1.8
96.08141	4.8
97.02908	2.7
99.04482	2.1
103.05463	1.4
105.01836	1.1
105.06998	1.6
106.06572	1.2
107.07333	1.8
107.08501	1.1
108.04494	2.2
108.08116	8.7
109.02875	3.6
109.10170	1.2
110.09692	7.2
117.05728	1.1
117.99075	0.9
118.06496	1.7
119.08576	1.6
120.04469	7.8
120.08102	9.6
122.06024	8.2
122.09670	4.5
124.07610	1.6
126.31542	0.8
127.03899	3.7
129.10231	1.8
132.60324	1.0
133.10091	1.2
134.06030	1.6
136.07567	14.8
137.05965	2.4
138.05504	2.2
138.09131	11.0
141.08800	0.8
145.04939	1.1
146.05977	7.1
148.07544	8.7
150.09131	11.3
152.06950	1.1
156.30421	0.9
160.07594	1.5
163.03886	1.7
164.07095	2.3
166.08647	20.8
167.07065	1.9
168.10284	1.0
172.03955	3.2
172.07619	1.5
174.09113	1.2
177.05453	1.9
178.05029	1.4
186.05447	1.3
188.07062	2.7
190.04950	5.1
190.08699	1.4
193.05028	2.4
194.08171	1.5
197.10905	1.0
198.05516	2.7
200.07048	1.3
204.06554	4.2
207.06558	2.2
208.09956	0.9
209.10844	1.5
211.12328	1.7
212.09406	1.7
213.10184	1.1
223.08708	2.5
223.12297	1.4
225.10158	7.7
227.11798	4.9
230.08052	1.2
232.06001	2.4
235.08646	2.4
236.09419	2.3
237.10258	13.8
238.10950	3.4
239.08121	2.1
239.11829	5.7
240.12769	1.4
241.09669	1.6
245.12866	2.1
248.09279	2.3
249.10231	8.3
250.10947	4.1
251.08147	5.3
251.11726	12.3
252.12555	1.7
253.09737	6.8
253.13443	1.7
254.10402	2.0
255.11206	6.4
259.11987	1.0
261.10254	5.1
262.11050	2.4
263.11835	11.4
264.08972	2.7
264.12292	1.9
265.09720	14.5
265.12823	2.1
266.10480	2.4
267.11267	14.7
268.11758	1.1
269.12753	1.0
271.10632	1.3
273.12277	4.2
275.11703	3.2
276.08957	3.0
276.12491	1.1
277.09775	8.4
278.10471	5.8
279.07730	3.6
279.11209	20.7
280.08688	1.1
280.12051	4.4
281.09311	2.8
281.12836	6.9
282.09903	2.3
282.13669	1.1
283.10818	4.1
285.12366	1.8
289.09711	8.2
290.10358	2.3
291.11270	7.6
293.09180	7.9
293.12823	7.4
294.09970	4.0
294.13217	1.0
295.10739	5.4
295.14087	2.0
296.11578	2.7
296.16461	1.2
297.12283	4.5
299.13977	1.5
303.11008	4.5
305.09201	6.8
305.12781	2.4
306.09848	1.3
307.10800	7.7
308.11478	2.7
309.12341	13.2
311.10211	2.7
311.13879	6.1
312.11075	2.0
313.11749	1.1
317.09155	5.4
319.10843	3.9
321.08752	1.6
321.12192	3.0
323.13953	1.8
324.11096	2.0
325.11752	6.1
326.12671	2.3
327.13544	8.0
328.14185	1.4
331.10797	2.7
333.12369	1.3
334.23669	1.1
335.10309	5.3
335.13739	1.1
337.11859	8.7
339.13330	16.9
340.14261	1.6
341.11398	1.2
341.15076	5.7
349.11801	3.2
353.11212	2.3
354.11914	1.5
355.12964	2.1
356.13867	1.4
357.14313	1.2
359.10315	1.8
367.12888	3.7
369.14474	2.8
370.15414	1.7
381.14383	4.5
383.15872	3.9
384.12930	2.4
384.17398	1.5
393.14328	2.4
395.15863	3.2
397.13538	2.0
399.15720	1.5
400.16245	1.9
406.97034	1.0
411.15454	3.8
412.16333	1.8
413.17032	4.0
414.18143	1.7
421.13797	4.4
423.15488	3.2
425.17218	12.3
426.18088	1.7
427.18610	3.1
429.16769	1.7
435.15839	1.7
439.14957	5.1
440.15335	1.0
441.16608	5.4
442.17368	1.4
451.15097	1.1
453.16962	4.9
455.14047	2.0
457.16168	1.3
459.17770	6.2
460.18344	1.7
462.20175	1.8
467.14484	8.8
469.15988	1.5
470.16824	2.1
471.17618	13.8
473.15039	1.9
481.15424	1.8
485.15405	19.0
486.16458	2.7
487.17035	6.5
488.17773	2.5
490.19446	2.1
497.15643	2.8
499.16763	7.9
531.19519	1.5
574.21826	2.4
592.22711	4.4
602.21594	2.0
604.22876	1.9
606.23505	1.2
616.22369	1.6
620.22327	24.5
621.22687	2.0
624.25366	1.3
634.24182	1.5
638.23553	13.7
644.22369	2.2
652.25024	7.8
662.23682	8.6
666.23029	7.1
775.98322	1.0
814.29449	3.8
824.28101	3.7
828.30872	2.3
840.26813	1.5
846.32617	1.3
856.31549	12.8
868.27930	8.1
872.30371	1.8
882.27972	1.5
888.33435	3.6
900.30243	100.0
901.29858	5.5
932.32745	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	925.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.7
69.03430	3.4
69.07058	0.4
70.32259	1.0
71.01406	0.3
71.04977	1.8
73.02912	3.3
75.43771	0.2
79.05487	1.7
81.03422	1.3
81.07059	3.2
83.08616	0.6
85.02901	5.1
85.03425	0.3
85.06561	0.4
87.04475	0.3
91.03954	2.0
91.05480	1.5
93.07056	1.5
95.04978	0.5
95.08612	1.3
97.02882	4.8
97.06525	0.4
99.04472	0.8
101.02361	1.4
101.21834	0.2
105.07037	0.7
107.08612	0.8
109.02882	0.9
109.10151	0.5
115.03968	0.5
121.10107	0.5
123.11725	0.7
127.03880	1.4
130.97386	0.3
131.08582	0.5
133.10126	1.2
135.11719	0.5
148.69415	0.2
149.13242	0.5
151.11224	0.5
159.11778	0.3
185.04231	0.5
187.13339	0.5
192.48479	0.3
203.05371	0.7
206.25069	0.3
243.08434	1.3
257.17337	0.3
259.07852	0.4
267.15793	0.7
285.08002	1.0
289.08926	0.3
305.08557	0.3
323.18372	0.4
333.15277	1.0
335.25919	0.3
347.09439	4.2
363.09103	0.9
365.10501	1.4
405.13657	6.9
453.21381	0.5
485.23532	3.7
519.29144	1.9
647.28741	7.8
647.39124	0.4
648.29547	0.7
681.34583	4.6
717.56128	0.3
763.46222	0.5
798.46344	0.3
912.16479	0.3
925.51239	100.0
926.51587	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	921.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	1.6
69.03433	6.0
69.07070	0.8
70.06580	3.0
70.73333	1.8
72.49296	0.6
73.02934	0.8
79.05502	1.6
81.03421	5.9
81.07035	1.6
82.35915	0.5
84.08152	0.9
85.02905	7.7
86.09694	1.1
87.00836	1.3
87.04453	0.7
91.05498	2.0
93.07037	3.2
94.06567	4.0
95.05007	0.8
95.07381	0.7
95.08644	0.7
96.08131	4.3
97.02883	3.1
99.04465	1.9
103.05492	0.8
106.06586	0.9
107.07334	1.7
107.08577	1.0
107.16051	0.6
108.08121	9.3
108.78079	0.6
109.02896	3.8
110.09677	6.5
115.05552	0.8
118.06480	0.7
119.08589	0.6
120.08101	8.6
121.06481	0.6
122.06026	13.9
122.09690	2.4
124.07615	1.2
127.03904	4.6
129.10239	0.7
132.08177	0.6
134.06029	2.3
134.88930	0.5
135.04370	0.6
136.07578	17.0
137.06003	1.6
137.08414	0.9
138.09131	10.3
145.04970	0.7
147.04422	1.4
148.07576	6.6
150.09125	4.6
151.34596	0.5
160.07780	0.6
162.09109	1.1
163.03879	1.0
166.08636	22.6
167.07053	1.5
190.08749	0.9
191.07082	0.8
207.06514	0.8
208.09885	0.8
209.10785	2.7
211.08815	1.0
221.10794	1.2
223.08670	0.7
223.12421	1.1
225.10312	2.1
233.10840	1.7
235.08672	4.1
236.09442	6.1
237.10210	19.8
238.10986	1.3
239.08160	0.9
239.11688	1.3
243.11339	0.9
247.08716	0.7
248.09662	1.5
249.10242	19.8
250.07397	1.2
250.10941	4.7
251.08203	2.4
251.11772	7.0
251.14107	0.8
252.09186	0.7
252.12576	1.2
253.09673	3.5
255.11290	1.4
256.19202	0.9
260.09537	1.0
261.10202	6.1
262.11160	1.3
263.08240	3.3
263.11862	1.9
264.08951	13.5
265.09714	12.1
266.10635	2.4
267.11261	7.2
268.11969	0.7
269.09302	1.4
273.10229	1.2
275.08301	1.3
275.11911	2.3
276.08981	1.5
277.09711	19.8
278.10501	6.9
279.07886	2.2
279.11258	18.0
280.08670	1.4
280.12106	2.0
281.09305	5.0
281.12891	1.7
282.10037	1.6
283.10709	2.9
285.12424	1.4
288.09000	0.9
289.09772	7.0
289.12851	0.8
290.10495	1.1
291.07767	2.5
291.11386	2.3
292.08472	4.5
292.12082	1.6
293.09296	36.6
293.12869	10.1
294.09860	1.8
294.13303	0.9
295.10788	5.6
296.11765	0.9
297.08954	1.2
297.12534	2.4
299.10339	0.9
301.09729	2.9
303.07727	3.8
303.11377	3.9
304.08356	1.0
305.09247	13.4
305.12494	0.7
306.09998	2.1
307.10760	16.6
307.14078	1.0
309.08762	4.1
309.12424	5.5
310.13330	0.7
311.10406	3.1
311.14032	1.9
312.11237	2.5
313.11917	2.7
313.15472	0.6
314.13232	0.7
317.14954	0.7
319.10544	3.1
321.09012	1.4
321.12503	2.2
322.13339	1.3
323.10229	10.9
323.13904	1.1
324.11246	2.2
325.11902	5.6
326.12781	1.4
327.13556	2.3
328.14594	1.0
329.09341	2.1
331.10709	4.6
333.08655	11.2
335.10403	2.3
337.11880	4.7
338.12735	2.0
339.09631	1.0
339.13409	12.2
340.14374	1.4
341.11676	1.2
341.15530	0.9
342.12283	0.9
342.16107	1.0
343.12979	1.1
344.13953	1.1
347.10461	2.6
349.12073	0.8
351.09732	40.2
352.10562	1.2
352.14630	1.1
353.11194	3.8
353.15253	3.1
354.12003	3.1
355.12854	4.6
356.14056	3.1
357.08850	1.0
357.14743	1.2
358.15521	1.5
364.14630	1.0
365.11334	5.3
366.12079	12.8
367.12872	3.0
368.14020	2.5
369.14621	3.1
370.11688	2.5
370.15695	1.6
371.12274	7.4
371.16223	0.7
372.13290	0.9
375.09824	4.6
379.13242	1.7
380.14148	1.0
382.11969	2.2
383.12344	17.6
384.13165	1.6
384.17273	2.1
385.13998	7.1
386.14963	2.0
387.15485	1.2
388.17062	0.8
389.11523	0.7
393.10965	1.1
395.12451	1.2
396.13449	1.8
397.13992	5.2
398.14600	3.3
398.18994	2.4
399.15582	2.5
400.16754	1.6
407.12354	5.7
409.14362	0.9
410.15060	1.8
412.16547	3.1
413.13730	1.0
414.14203	0.8
415.15262	0.7
416.15747	1.1
418.17712	1.9
426.14203	1.3
428.16110	5.4
429.17117	0.7
430.17792	1.0
438.14441	5.6
442.17786	1.5
444.19852	1.2
446.16943	6.4
456.15405	6.4
458.17255	3.7
460.18390	1.2
462.20285	1.9
474.20599	0.9
476.18130	7.8
477.19107	0.7
478.19672	3.5
486.16806	2.2
488.18033	5.7
490.19720	1.9
504.17761	1.8
518.19299	6.7
519.20355	2.5
528.17987	1.2
536.20313	8.4
550.21826	6.2
551.22656	2.8
560.20380	2.0
591.21869	0.9
609.23499	6.4
623.25012	4.1
641.25970	29.2
642.26337	1.2
681.25012	1.4
682.26709	0.9
690.23022	1.3
713.28491	3.1
722.25067	3.7
723.26178	3.5
726.24750	3.2
754.28143	2.7
755.28979	10.9
766.24414	6.8
767.25281	25.6
768.25769	1.1
798.27118	46.2
799.27893	100.0
800.28461	3.2
845.32233	2.2
857.28845	2.4
889.30939	4.3
921.42853	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	2.0
66.60081	0.4
67.05499	50.3
69.03413	2.8
69.07068	9.5
69.36197	4.5
71.04988	15.4
72.65625	0.5
73.02913	3.3
73.06544	0.5
79.05486	25.5
81.03403	1.7
81.03867	0.4
81.07049	74.8
82.07352	0.7
83.04967	2.7
83.08603	6.3
85.02893	14.1
85.06533	7.5
91.03947	7.5
91.04889	0.9
91.05472	22.6
93.07033	33.1
95.04971	3.9
95.08596	22.9
97.02880	6.2
97.06511	3.8
97.10128	2.1
99.04472	0.9
99.08086	1.1
105.04514	0.5
105.07021	11.8
107.07855	1.0
107.08582	18.9
109.02863	0.6
109.06522	2.0
109.10145	11.3
111.08092	1.5
115.03929	0.5
117.06999	4.1
119.08576	7.2
119.09366	0.8
121.10130	13.4
123.08099	1.0
123.11693	12.5
123.12578	0.9
125.09626	0.7
127.03901	2.9
129.07004	0.7
131.08545	7.5
133.10114	15.4
135.08089	0.7
135.11684	8.2
139.11191	0.5
143.08580	0.6
145.04945	3.0
145.10141	4.1
147.11658	3.3
149.13255	5.5
151.11162	5.1
153.12784	0.7
157.10152	0.6
159.11681	5.2
161.13249	2.3
163.05994	2.8
163.14772	0.9
169.10100	0.6
169.12248	1.2
171.11742	0.9
173.13272	1.7
175.14824	1.3
176.19557	0.5
177.12750	1.7
179.14340	0.8
180.08655	0.6
183.11699	0.5
183.13821	2.1
187.13303	2.8
187.14758	0.9
188.35353	0.5
189.16359	0.7
195.13855	1.4
201.14807	0.7
227.16405	1.1
243.15851	1.1
253.18042	0.5
257.17493	1.6
259.20648	0.6
261.22162	2.6
269.17407	4.7
301.20038	11.5
335.25778	26.3
336.26038	0.6
411.32513	1.0
437.34363	0.9
445.24265	0.8
485.36359	1.9
503.37280	84.2
504.37613	3.2
511.38007	0.7
517.39008	2.1
529.38837	14.9
530.39471	0.9
547.39496	1.0
561.41443	100.0
562.41669	4.3
669.63635	0.5
705.45172	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.4
67.05499	67.3
68.05825	0.6
69.03425	4.0
69.07064	11.9
69.35311	0.5
69.36207	5.3
71.04988	21.9
73.02917	5.8
73.06542	0.6
79.05485	38.6
81.03415	2.1
81.07050	100.0
82.07383	0.9
83.04971	3.8
83.08608	9.3
83.32791	0.6
85.02900	20.6
85.06534	8.3
87.04492	0.9
90.84889	0.5
91.03957	11.7
91.05473	31.0
93.07035	42.5
95.04961	5.3
95.08598	27.0
96.04525	0.6
97.02882	11.0
97.06526	5.4
97.10142	3.1
99.04446	1.2
99.08121	1.2
101.05996	0.6
103.64633	0.5
105.07020	18.2
107.08585	25.0
109.02843	1.3
109.06506	1.9
109.10152	13.6
111.08062	2.1
113.73565	0.5
115.03886	0.6
117.06992	5.3
117.07571	0.5
119.08565	9.8
121.06573	0.6
121.10128	15.3
123.08106	0.6
123.11701	13.8
123.12573	1.1
125.09624	1.0
127.03917	4.2
129.05463	0.6
129.07001	0.8
131.08556	10.0
133.10118	20.5
135.08099	0.9
135.11682	11.0
137.09584	0.6
137.13286	0.7
139.11200	0.9
143.08575	1.3
145.04941	4.5
145.10124	5.2
147.11673	5.1
149.09619	0.8
149.13251	6.7
151.11157	6.6
153.12746	0.7
157.10133	1.0
159.11682	7.7
161.13264	3.1
163.06015	5.0
163.14786	1.1
169.10141	0.8
169.12292	1.2
171.11751	1.2
173.13214	3.1
175.14879	1.5
177.12775	2.3
177.16493	0.5
180.08661	0.6
183.11571	0.8
183.13837	3.1
185.13284	1.1
187.13326	4.4
187.14828	1.5
195.12135	0.6
195.13882	1.7
201.14857	1.5
201.16487	0.8
211.14810	0.6
227.16399	2.9
243.16026	1.1
243.21007	0.7
253.17947	1.0
257.17471	2.5
259.20749	1.4
261.22202	2.3
269.17493	5.8
287.23193	0.7
301.20059	26.7
302.20566	0.9
317.24924	1.0
335.25751	19.9
336.26138	0.7
363.25275	0.8
393.31625	1.0
411.32526	2.7
413.21649	0.6
429.33591	0.6
437.34296	2.3
445.24295	0.8
455.35031	1.2
479.03610	0.6
485.36258	4.3
503.37274	95.4
504.37741	6.7
511.37888	1.8
517.38831	4.4
529.38861	25.9
530.39258	1.8
547.39813	1.8
561.41461	90.6
562.41772	8.0
673.43005	0.8
705.45239	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.521
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	39.7
69.03410	3.5
69.06764	1.2
69.07066	11.4
70.06599	1.3
70.11302	5.4
71.04977	3.0
73.02907	4.0
79.05061	2.0
79.05489	27.9
80.38127	1.0
81.03412	4.7
81.07051	33.1
83.04958	4.6
83.08624	6.2
85.02899	15.2
85.06530	2.3
86.09708	1.8
91.02043	1.1
91.03958	7.9
91.05475	25.9
93.07036	30.9
95.04958	10.7
95.08595	21.6
96.04451	1.6
97.02887	10.8
97.06512	4.3
97.10160	4.6
99.04435	2.5
99.05025	1.1
105.07021	22.0
107.04955	3.1
107.08593	20.1
109.06508	3.5
109.10140	17.1
111.04438	5.3
111.08080	2.9
117.07011	11.8
119.08572	17.0
121.06477	3.8
121.10142	11.0
123.04382	1.4
123.08067	2.7
123.11687	3.5
125.09623	2.6
127.03934	3.4
128.06194	1.5
129.06966	6.5
130.07799	1.5
131.08548	15.3
133.06551	1.5
133.10132	17.1
135.08044	3.5
135.11690	12.2
137.09627	2.7
137.13229	1.6
141.07011	2.2
143.08527	6.4
145.04961	3.6
145.06445	1.7
145.10118	13.1
147.08052	3.6
147.11656	8.2
149.09598	4.6
149.13264	2.1
151.11165	2.5
153.09152	1.1
155.07224	1.0
155.08539	3.9
157.10144	6.9
159.08070	2.2
159.11665	9.6
161.09605	3.9
161.13223	5.1
163.05983	5.4
163.11142	6.8
169.10075	3.4
171.08041	1.5
171.11716	5.2
173.09572	3.5
173.11757	2.5
173.13240	5.9
175.11156	2.7
175.14915	1.7
177.12769	1.5
181.10054	1.2
181.12173	2.2
183.11673	3.3
185.09618	1.3
185.13245	4.9
187.11110	1.8
187.14792	1.6
189.12744	1.3
191.10632	2.5
195.11751	2.6
197.13165	3.0
199.11200	1.7
209.11647	9.7
209.13277	1.7
211.14809	1.5
213.12694	1.3
215.14528	1.3
223.14796	1.3
227.12712	3.7
227.16383	3.1
229.14343	3.6
241.19331	1.3
253.14218	1.1
255.15846	1.8
255.21236	1.9
257.18835	1.2
259.20615	2.3
261.22012	2.9
271.20563	2.1
273.22046	4.8
277.21536	1.9
283.15366	17.3
283.20471	1.4
285.16827	2.2
289.21564	1.5
297.22189	2.4
299.20041	2.6
299.23434	1.2
301.16330	3.0
301.21640	2.4
315.23206	7.0
317.21112	2.0
325.21805	1.3
333.24097	2.1
335.25931	12.2
345.24603	1.0
351.22318	1.2
371.25940	1.3
373.23639	3.1
389.26776	3.2
391.24469	1.5
433.30997	5.7
451.32159	9.6
469.33105	7.9
487.34015	5.8
503.37146	1.3
507.34427	2.1
515.37616	2.3
525.35754	22.1
526.35742	1.1
543.36780	100.0
544.36993	3.4
561.37677	31.4
562.37909	1.2
687.40479	2.1
705.41431	4.8
740.46515	1.8
758.48596	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	2.2
66.17616	1.3
67.05503	42.1
68.05035	2.4
69.03429	8.4
69.05803	2.0
69.07060	9.7
69.81083	8.0
70.02954	1.4
70.06583	9.7
71.04997	2.6
71.43233	1.4
72.04513	50.4
72.08183	1.5
73.02908	6.4
74.06094	2.6
79.05488	32.8
80.05028	4.5
81.03432	7.1
81.07052	38.8
82.06577	4.7
83.04984	3.6
83.08619	5.8
84.04498	16.5
84.08136	5.0
85.02905	20.5
85.06549	1.5
86.06104	1.8
88.03996	4.4
91.03945	8.6
91.05468	18.3
93.07039	33.3
94.06544	2.1
95.04970	5.6
95.08597	24.5
96.04488	5.3
96.08131	2.4
97.02890	14.4
97.06528	2.7
97.10176	5.4
98.06068	3.1
98.20713	1.4
99.04472	2.1
100.03986	3.6
102.05547	19.0
105.07018	10.3
107.04954	3.8
107.08589	14.1
109.08944	1.7
109.10155	16.4
110.06061	2.6
111.08088	2.3
112.07634	2.7
114.09198	2.2
114.12796	5.2
117.07012	6.3
118.06502	1.4
119.08574	11.8
121.06625	1.4
121.10136	19.1
123.08074	2.6
123.11718	5.3
125.09644	5.0
127.03927	3.0
129.05466	2.7
129.07011	2.1
131.08589	8.6
133.10130	3.8
135.11700	5.3
136.11269	3.0
137.09630	3.5
138.12796	3.2
142.12256	3.8
145.10130	5.2
147.08052	2.7
147.11652	3.3
148.11267	1.6
152.14359	1.8
154.12270	5.4
156.13852	3.9
159.11708	2.7
161.13269	2.0
163.11212	4.3
164.10750	3.5
165.09128	2.0
166.12302	11.7
167.10719	2.4
173.09650	2.3
173.11757	4.5
173.13278	2.5
180.13823	2.2
182.11777	3.6
182.15363	7.5
183.12535	4.9
184.13313	28.5
188.17921	1.5
208.13347	13.2
210.14906	7.3
216.08749	1.5
226.14366	10.7
227.12895	2.1
227.17853	1.4
228.08806	1.5
228.15913	1.6
229.14282	10.1
234.09889	1.7
236.89690	1.5
246.16910	2.0
256.15433	2.2
257.16284	2.6
258.17105	2.6
261.22021	2.8
267.15915	2.9
282.17075	2.3
300.18033	6.2
302.19714	2.4
318.19205	5.9
335.25821	30.6
489.35489	2.8
506.38480	1.8
506.76031	1.6
516.37122	1.6
517.36584	2.6
534.37878	10.7
535.38574	2.5
536.38892	2.1
552.38965	7.2
560.39539	6.0
578.40509	18.1
596.41534	100.0
597.41150	2.0
704.42828	2.5
714.43970	4.4
722.45160	2.0
740.45667	8.7
758.46844	79.5
902.49585	4.2
920.35010	2.6
920.52020	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	920.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.4
67.05504	41.7
69.03416	3.7
69.07061	11.8
70.06588	1.3
71.04973	3.5
71.59878	1.7
73.02899	3.3
79.05491	30.0
81.03407	4.2
81.06574	2.1
81.07054	36.2
83.04998	5.0
83.08627	7.5
85.02901	17.1
85.03378	0.7
85.06525	2.9
86.09682	1.2
91.03957	9.3
91.05475	29.3
93.06464	1.7
93.07040	30.5
95.04981	7.4
95.08601	20.6
97.02895	8.7
97.06526	4.5
97.10159	3.7
99.04498	1.3
105.06371	1.9
105.07024	22.2
107.04963	4.8
107.08595	19.5
109.02887	1.8
109.06548	4.7
109.10157	20.6
111.04443	5.0
111.08064	3.2
113.09618	1.2
115.05397	1.1
117.07031	11.6
119.08577	17.0
121.06516	3.0
121.10139	13.2
123.04396	1.4
123.08048	3.5
123.11729	4.7
125.09595	2.6
127.03951	4.7
129.07011	6.2
130.07777	1.0
131.08562	15.0
133.06474	2.4
133.09122	1.3
133.10117	18.7
135.08086	3.7
135.11682	12.1
137.09618	2.5
141.06985	3.0
142.07806	1.0
143.08583	5.5
145.04958	3.6
145.06526	2.3
145.10130	16.9
147.08040	3.8
147.11673	8.5
149.09618	4.4
149.13245	2.5
151.11179	3.5
155.08546	3.5
157.06442	1.1
157.10172	5.0
159.08031	2.0
159.11688	8.0
161.09615	2.6
161.13271	4.7
163.06007	5.9
163.07216	1.0
163.11162	5.2
163.14919	1.0
169.10146	5.0
171.08104	1.0
171.11636	4.8
173.09621	3.0
173.11826	2.2
173.13164	5.6
175.11182	2.4
175.14810	1.4
177.12692	2.0
179.10466	1.2
181.10129	2.1
183.11684	2.6
185.13252	2.9
187.11121	2.2
187.14865	1.8
189.11226	1.4
189.12778	2.5
191.10667	2.6
193.12192	1.4
195.11708	2.2
197.13261	2.0
199.14821	1.6
209.11691	9.6
209.13371	1.8
211.14914	1.3
213.12924	1.3
215.12677	1.3
217.15881	1.1
221.13342	1.6
223.14804	1.0
227.12727	4.4
227.16414	2.5
229.14357	4.4
243.21161	1.7
253.14095	1.2
255.20999	1.2
259.20612	3.1
261.22125	3.2
271.20584	2.1
273.22195	4.9
277.21475	1.1
283.15402	16.9
283.20514	1.3
285.16837	2.8
285.22015	1.1
289.21545	2.5
291.22925	1.4
297.22079	2.2
299.20206	1.7
301.16312	2.1
301.21585	2.9
315.23218	6.8
317.21109	2.3
319.22729	1.0
323.23557	1.0
329.24878	1.8
333.24243	3.0
335.25839	12.8
338.90347	1.0
363.25317	2.2
373.23563	4.0
389.26855	1.7
391.24963	1.6
415.29773	1.3
423.32379	1.2
433.30923	4.8
435.27328	1.8
451.32056	9.0
469.33286	7.1
487.34174	6.5
503.37234	1.6
503.43948	1.0
507.34445	2.2
515.37335	3.6
525.28479	1.9
525.35754	25.4
531.37054	1.2
533.67773	1.0
543.36792	100.0
544.36859	2.9
561.37793	33.5
665.85327	1.1
687.40521	1.7
705.41077	4.1
944.35101	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	1.2
67.05501	21.2
67.05863	1.1
68.05020	1.2
69.03420	4.5
69.07053	4.8
69.71389	5.9
70.02943	2.0
70.06591	5.9
71.04991	2.3
72.04144	1.7
72.04516	19.5
73.02911	4.0
74.06081	1.3
79.05487	18.3
80.05024	1.8
81.03413	3.0
81.07056	22.7
82.06582	2.3
83.04979	2.5
83.08613	3.1
84.04514	7.1
84.08128	2.1
85.02906	12.0
85.06526	1.1
88.03992	10.1
91.03941	5.9
91.05480	10.1
93.07040	16.4
94.06568	1.5
94.45406	1.0
95.04978	3.7
95.08599	14.5
96.04503	2.6
96.08101	1.1
97.02888	8.3
97.06522	2.0
97.10137	2.7
98.06048	1.6
98.20792	2.3
99.04436	1.6
100.03978	3.3
102.05553	5.1
105.07033	7.8
107.04977	3.8
107.08579	9.8
109.06496	1.2
109.10144	10.0
111.04446	0.9
112.07614	1.8
114.12781	1.3
117.07007	3.2
119.08555	6.5
120.06855	1.1
121.10141	8.7
122.05989	1.2
122.09648	1.1
123.08144	1.5
123.11690	2.4
124.11209	1.6
125.09650	2.8
127.03924	2.5
129.07127	1.1
131.08563	4.5
133.10127	3.2
135.11687	4.4
137.09598	1.2
138.12766	4.5
145.10146	4.3
147.11693	2.9
154.12242	3.5
159.11679	1.4
160.35736	1.0
161.13254	1.2
163.11226	4.8
164.10603	1.0
166.12263	15.7
173.09639	2.8
173.11758	1.3
180.06610	1.4
180.13823	2.1
182.11765	1.9
182.15381	13.9
183.12506	1.5
184.13329	59.7
191.10681	2.5
198.15012	1.3
200.16472	2.1
208.13274	9.9
210.14932	2.8
222.14917	1.3
226.14369	12.8
227.12761	1.1
229.14359	3.9
240.15900	2.2
244.15521	1.5
256.19135	1.7
258.17020	3.8
259.20480	1.3
261.22189	2.0
282.16931	2.8
300.18069	6.1
318.19073	3.7
335.25757	13.7
336.20285	1.2
431.07510	1.0
494.49246	1.2
506.38501	2.1
534.37836	2.8
552.38715	1.3
560.39044	2.9
578.40411	7.4
587.08990	1.1
596.41534	100.0
722.44342	1.8
740.45410	4.3
758.46808	46.4
847.17603	1.1
920.37500	1.2
920.52264	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5768
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	4.7
65.66698	2.9
67.05506	86.3
69.03426	61.0
69.07069	14.7
71.04984	16.0
73.02901	6.6
79.05489	53.8
81.03419	100.0
81.07056	95.4
83.04992	11.0
83.08617	8.9
83.71315	2.8
83.95634	2.6
83.96127	2.6
85.02905	27.9
91.05470	39.9
93.07038	70.7
95.04951	13.6
95.08605	76.2
97.02895	41.2
97.06509	5.8
97.10180	3.0
99.04447	30.8
103.03896	4.5
105.07033	30.3
107.08591	37.4
109.02871	26.7
109.06541	4.4
109.10157	38.5
111.04446	5.2
117.07005	14.8
119.08588	27.6
121.10143	39.3
122.10896	2.8
123.04448	5.8
123.11733	16.8
127.03914	70.1
129.07013	4.5
131.08580	25.8
133.06529	3.8
133.10127	22.7
135.11679	32.3
137.09581	3.3
137.13286	5.0
141.44977	2.6
143.08548	4.2
145.04976	6.5
145.10112	19.4
147.11693	17.3
149.13280	19.3
151.03850	3.2
151.14784	3.8
157.10115	4.0
159.11659	18.2
161.13249	18.5
163.14850	8.3
166.64272	3.0
171.11708	4.0
173.04468	54.0
173.13275	17.9
175.14888	3.7
177.16394	6.3
187.14836	8.3
195.50725	2.6
243.21140	12.3
253.07063	3.0
261.22147	54.2
279.23163	4.5
289.21585	4.0
303.23019	3.5
316.55096	2.8
335.25784	54.9
353.26840	5.4
363.25278	29.4
369.24292	6.8
379.21732	3.0
387.25330	4.6
405.26141	4.9
653.67328	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	911.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33112	0.3
69.33511	2.6
95.04944	0.2
102.46623	0.3
134.37329	0.3
149.01218	0.4
194.45615	0.3
217.40631	0.3
279.03976	0.3
298.09198	0.3
317.17993	0.5
437.09821	0.6
455.10883	1.2
633.25690	0.7
651.26062	0.3
658.53473	0.3
697.32141	0.5
702.09821	0.3
841.56586	0.3
911.47607	100.0
912.48370	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	919.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.9
66.18590	0.1
67.01870	0.2
68.99795	0.4
69.03425	3.2
69.79772	0.7
70.06586	0.5
71.05012	0.2
73.02916	0.4
76.03161	0.2
77.03938	0.4
81.03413	4.8
85.02898	3.0
86.09676	0.2
87.00826	1.8
89.03904	0.4
91.05473	12.2
95.04958	0.3
97.02897	1.3
99.04422	0.8
103.03986	0.1
103.05462	0.4
104.95754	0.1
105.01844	0.7
105.03394	0.4
109.02203	0.2
109.02872	2.2
111.00777	0.3
117.01842	0.5
118.04157	0.2
119.04936	18.8
120.05243	0.1
121.02840	0.7
121.08523	0.1
123.04406	0.2
127.03916	2.9
129.03336	0.4
131.04918	0.2
132.02061	0.7
133.02818	0.3
135.04372	0.3
136.05203	0.2
136.07645	0.1
136.71497	0.1
137.02332	4.9
137.03394	0.3
137.05949	0.1
145.02841	0.4
145.04938	0.4
146.03627	0.2
147.04402	17.5
148.04715	0.2
148.62683	0.1
149.02344	1.0
153.01801	1.7
157.03951	1.6
159.02861	1.5
161.05972	0.2
162.03088	0.3
163.03914	0.8
164.04674	0.5
165.01837	1.0
171.02872	0.3
173.06015	0.2
175.03894	37.2
176.04315	0.5
177.05440	0.2
179.06979	1.6
181.70712	0.1
183.02866	0.4
187.03870	0.3
188.72369	0.1
189.05298	0.2
191.03467	0.2
192.04175	0.5
201.05460	0.7
207.06511	100.0
208.06886	1.3
215.03349	0.1
219.02892	0.1
225.07509	0.6
229.04948	1.9
231.04999	0.8
247.05920	0.3
257.04416	1.6
261.04001	0.2
274.04630	0.3
285.03946	0.6
291.08475	0.1
303.04968	57.9
304.05280	0.9
309.09937	0.1
321.37552	0.1
327.05014	0.2
345.05823	0.7
351.10742	5.7
352.10828	0.1
355.04379	0.2
369.11777	8.6
388.67075	0.1
468.90039	0.2
533.09454	0.2
551.09534	0.2
671.16534	0.8
839.37494	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	911.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
70.31985	0.8
76.89377	0.2
78.36658	0.2
81.07066	0.3
94.82349	0.3
100.86215	0.3
131.00249	0.3
149.01263	0.5
158.99767	0.2
161.01306	0.3
177.00819	0.3
189.00758	0.3
192.99889	0.3
195.59778	0.3
219.01926	0.3
279.04044	0.3
335.26599	0.3
341.14490	0.3
437.10132	0.4
455.10794	1.3
457.17773	0.4
548.02753	0.3
583.73639	0.3
633.25696	0.3
651.25574	0.5
697.32336	1.2
715.32019	0.6
911.47601	100.0
912.47906	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	907.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03972	0.4
67.05502	7.2
68.05839	0.4
69.03432	4.1
69.07063	2.0
71.05019	0.8
71.11990	0.7
73.02914	4.4
76.13680	0.3
79.05490	4.8
80.05834	0.5
81.03416	2.0
81.07056	9.2
81.07511	0.5
82.07389	0.4
83.05003	0.7
83.08635	1.2
85.02905	7.1
85.06558	0.4
87.04485	0.4
91.03960	3.7
91.05470	2.8
93.07037	6.1
94.07408	0.5
95.04991	0.9
95.08598	5.2
96.08963	0.3
97.02880	6.0
97.06532	0.9
97.10185	0.4
99.04475	1.4
101.02372	1.9
103.03975	0.4
105.07031	1.9
107.08603	3.0
108.08960	0.4
109.02899	1.1
109.10179	1.2
111.08077	0.4
115.03938	0.4
117.07014	0.8
119.08570	1.6
121.06548	0.4
121.10134	2.6
123.11802	0.8
127.03864	1.6
131.08623	1.4
133.10136	1.0
135.11659	2.5
136.12137	0.4
145.05070	0.6
145.10152	0.8
147.11763	0.4
149.13315	1.1
150.13643	0.4
159.11731	1.3
163.11192	1.5
173.13283	0.4
177.12782	0.4
181.12315	0.4
185.04265	1.0
187.13348	0.5
191.01190	0.4
195.13889	0.4
203.05334	0.5
217.10764	0.3
227.12865	1.2
243.08496	1.4
243.15921	1.9
244.16377	0.4
249.10985	6.4
261.22147	0.7
262.86780	0.4
269.17621	1.1
270.17792	0.4
272.20410	0.4
285.64630	0.3
287.18503	2.1
288.19089	1.2
305.13577	0.8
335.25778	3.3
336.25998	1.7
337.26801	0.4
347.09442	3.1
363.09036	0.6
365.10760	1.3
405.13684	6.7
462.72186	1.0
463.23016	0.4
467.18921	4.8
467.25204	0.4
473.19846	1.1
495.47476	0.4
503.37338	2.8
504.37637	4.6
519.29321	5.1
529.38849	0.7
530.39349	1.4
547.40015	1.8
548.40265	2.3
629.24127	3.2
681.34595	8.4
745.41180	1.1
907.46490	100.0
908.46448	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	907.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	5.7
68.05861	0.6
69.03421	3.5
69.07054	1.9
70.73758	1.0
71.01364	0.5
71.04997	0.5
73.02915	3.9
79.05495	5.2
80.05823	0.4
81.03421	1.9
81.07053	7.6
82.07372	0.8
83.05011	0.5
83.08632	1.4
85.02905	7.3
91.03957	4.0
91.05489	2.6
92.97430	0.4
93.07047	5.6
94.07417	0.7
95.04945	1.0
95.08604	5.1
97.02887	6.7
97.06499	0.5
99.04480	1.2
101.02385	2.2
105.07050	1.6
105.49753	0.4
107.04946	0.5
107.08600	2.8
109.02864	1.3
109.10181	2.0
111.08090	0.6
115.03971	0.4
117.07021	1.0
119.08591	1.2
121.06532	0.8
121.10115	2.1
123.11713	0.7
127.03934	1.7
131.08583	1.1
133.10118	1.5
135.11652	1.9
145.10129	1.5
147.11745	0.5
149.13258	0.8
159.11714	1.0
163.11194	1.7
163.25108	0.5
164.42378	0.4
170.47581	0.4
172.95190	0.7
181.12273	0.4
185.04250	0.6
190.96275	0.4
195.13919	0.5
203.05324	1.0
227.12946	1.2
230.03366	0.4
230.74951	0.4
240.75165	0.4
243.08434	2.1
243.15981	1.1
249.10985	6.8
269.17529	1.0
272.20123	0.4
287.18625	1.7
288.18982	0.5
305.13702	1.1
335.25833	2.5
336.26321	1.4
347.09476	2.6
363.09109	1.2
365.10684	0.8
405.13693	6.8
462.72638	0.5
463.22565	0.6
467.18826	3.7
473.19861	1.2
503.37570	1.5
504.37640	2.9
519.29303	5.5
529.38892	0.6
530.39728	1.0
546.38373	0.6
547.39728	1.7
548.40234	1.7
592.04657	0.4
629.24341	3.7
681.34406	8.9
745.41260	1.4
907.46484	100.0
908.47095	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	906.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.9
67.05503	66.7
68.05816	1.3
69.03440	5.2
69.07065	14.9
71.04990	7.9
73.02912	8.5
73.68318	1.0
77.03913	1.2
79.05489	37.3
81.03426	5.1
81.07053	96.8
82.07396	2.4
83.04967	6.1
83.08610	13.1
85.02900	21.0
85.03368	2.0
85.06537	10.6
86.45518	1.0
87.04456	1.6
91.03946	12.3
91.05476	25.1
93.07038	48.8
95.04950	7.7
95.08599	37.2
97.02891	14.0
97.06535	9.3
97.10202	3.1
98.21487	3.5
99.04448	2.3
99.08078	2.5
101.02374	1.3
103.03926	1.5
105.04565	1.5
105.07028	12.6
107.08586	29.4
109.02914	1.4
109.06528	2.1
109.10139	15.4
111.08081	6.2
113.09679	1.2
115.03960	1.1
115.05437	1.6
117.06998	8.6
119.08577	8.3
121.06512	4.1
121.10143	20.2
123.08115	1.3
123.11701	13.7
125.09621	1.1
127.03916	5.3
129.06987	1.3
131.08560	13.8
133.10123	20.3
135.11690	15.1
145.04945	5.6
145.10066	7.1
147.11720	4.6
149.09621	1.3
149.13251	18.5
151.11182	5.5
157.10037	1.9
159.11700	12.8
161.13258	4.0
163.06059	4.6
163.11168	2.5
163.14787	2.4
173.04503	1.1
173.13315	4.1
177.12682	3.2
179.14360	1.4
180.48949	1.1
187.13319	7.0
187.14793	2.0
189.16516	1.5
195.13823	6.5
211.13287	1.0
213.14911	2.1
227.12689	1.4
229.59328	1.4
241.14383	2.2
243.15904	25.7
243.18335	2.1
243.21104	2.8
249.11023	3.1
253.17853	1.3
261.22092	9.7
269.17480	22.4
283.08636	1.5
285.16855	1.4
286.17142	1.6
287.18515	42.5
287.23712	2.2
305.13535	1.2
309.17532	1.3
317.24799	2.1
323.10828	1.2
335.25784	53.8
336.26230	3.1
347.09390	1.9
361.27536	2.5
363.09222	1.1
405.13812	4.4
418.27261	1.2
419.33835	1.4
431.22736	1.8
437.33994	1.7
455.35144	1.7
462.21832	5.4
462.71970	2.1
467.18573	2.7
477.43552	1.3
503.37292	100.0
504.37338	3.0
506.63663	1.1
519.29309	1.9
521.38464	2.2
529.38788	20.4
529.46063	2.1
545.37469	2.7
546.38336	3.0
547.39868	44.4
591.25946	1.3
629.24023	1.4
643.15289	1.2
681.34241	4.8
691.44934	2.1
906.43011	2.0
906.58838	2.1
907.46558	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05466	0.8
69.03437	2.5
69.97697	3.6
69.98111	1.5
70.06590	4.0
71.04976	1.0
72.08140	1.7
79.05499	1.3
81.03434	4.8
81.07049	1.2
84.04528	0.9
84.08096	1.2
85.02898	4.2
86.09702	1.9
87.00821	2.1
89.03890	1.2
91.05486	2.6
93.07044	1.6
94.06566	3.0
95.04972	0.9
96.08131	2.6
97.02891	4.6
97.06488	1.7
98.21420	1.1
103.05471	1.5
105.01907	1.8
105.07046	1.0
108.04482	1.1
108.08096	5.7
109.02879	5.7
110.09694	4.0
111.04478	1.2
115.63268	0.8
116.04993	2.7
118.06461	1.0
119.04990	1.4
119.08588	1.0
120.08116	5.0
122.06001	8.4
124.07619	4.0
127.03906	5.4
130.06575	0.9
134.06020	1.3
135.06821	0.9
136.07567	11.0
137.05949	3.0
138.09134	7.5
144.04451	7.0
145.04932	1.1
146.06020	3.1
147.04459	1.9
148.07576	2.9
150.09164	3.9
152.07068	1.4
160.03993	1.2
162.05482	5.3
163.03906	1.0
166.08627	23.4
167.07121	1.1
170.09656	3.2
172.03923	47.5
172.07549	1.4
172.11221	1.4
174.05515	1.6
174.09198	1.1
175.03880	1.4
177.05438	1.4
184.07747	1.0
184.11218	1.1
187.12257	4.2
190.04991	8.9
198.09148	20.3
200.09364	2.3
204.06552	72.7
207.06483	3.5
212.10696	3.2
215.11794	18.0
221.10722	0.9
222.07628	1.4
225.10083	1.3
226.08588	5.6
227.11729	2.7
227.99634	0.9
229.09702	0.9
229.13467	1.4
240.10323	1.4
241.09833	1.6
241.13304	1.6
242.10529	1.5
243.11278	93.9
244.11667	1.9
249.10201	1.2
251.11856	1.3
253.09651	1.0
255.09010	1.1
255.11342	9.2
257.12845	5.7
269.09213	1.3
279.11078	2.1
283.10574	1.0
284.11539	1.1
285.12323	89.2
286.12665	1.3
297.12384	1.8
301.11798	9.7
303.13370	100.0
304.13736	1.1
307.10782	1.4
325.11832	7.9
329.11606	1.0
329.15115	1.0
339.13461	2.3
343.13037	1.8
357.14420	18.7
358.14957	2.0
359.16217	1.8
363.18118	1.8
393.19418	3.3
418.17657	1.7
430.17685	1.2
456.16284	1.1
462.16443	3.4
470.16766	1.3
474.16330	4.3
476.18430	1.9
488.17825	1.0
494.19186	3.4
506.19260	1.5
555.16132	1.1
555.24384	1.4
573.17255	4.9
583.25598	5.0
587.18634	1.3
597.25293	1.4
599.24481	2.7
605.19641	3.7
615.26947	14.3
627.24493	21.0
641.26050	6.7
659.27209	4.9
777.15381	0.9
831.31506	1.1
845.32257	1.6
906.67773	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	1.9
67.05502	62.2
69.03424	4.6
69.07060	13.7
69.69655	8.0
71.04976	4.9
73.02907	3.8
79.05058	2.0
79.05490	33.7
81.03415	2.8
81.07052	77.9
83.04983	3.3
83.08609	10.4
85.02893	14.7
85.06532	8.1
91.03944	7.9
91.05480	20.8
91.97621	1.3
93.07037	46.8
95.04958	5.2
95.08601	28.3
96.91965	1.5
97.02894	7.7
97.06522	8.1
97.10148	3.8
99.08076	3.1
105.07035	13.9
107.07867	1.6
107.08588	24.4
109.06515	1.8
109.10143	10.0
111.08066	4.0
117.07004	7.5
119.08548	8.2
121.06490	5.1
121.10136	18.6
123.11697	12.1
127.03907	2.9
131.08560	14.2
133.10124	15.4
135.11700	13.6
142.84637	1.2
145.04968	2.4
145.10106	3.9
147.11705	3.3
149.13246	14.6
151.11169	4.6
157.10046	1.4
159.11670	14.5
161.13269	2.5
163.06061	2.5
163.14859	2.0
173.13237	2.6
177.12726	3.5
187.13278	5.9
187.14772	1.4
195.13799	4.5
229.21860	1.1
241.14331	2.9
242.20168	1.2
243.15874	22.4
243.21130	1.6
261.22128	8.4
267.15820	1.8
269.17468	32.4
272.20132	4.7
287.18506	21.8
317.24756	1.4
335.25778	49.5
503.37277	100.0
504.37668	3.5
521.38293	3.4
529.38916	13.6
547.39917	44.7
691.43518	3.6
821.87219	1.4
906.57837	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	902.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	1.0
67.05499	34.5
69.03378	2.6
69.07064	10.1
69.56274	4.6
71.04955	2.3
73.02917	3.2
79.05486	33.7
81.03437	3.4
81.07051	38.6
83.04974	3.7
83.08620	8.5
85.02890	5.9
85.06506	1.2
91.03957	3.6
91.05469	15.0
93.07034	47.5
95.04970	8.7
95.08600	49.4
96.08893	0.7
97.02882	5.5
97.06509	4.3
97.10127	2.1
99.04470	3.7
103.05434	0.8
105.07020	12.3
107.04962	6.3
107.08586	32.2
109.06474	2.5
109.09465	0.7
109.10149	11.2
111.04404	1.2
111.08043	1.7
115.05386	0.7
117.06318	0.7
117.07027	7.7
119.07794	1.0
119.08570	13.9
121.06511	5.0
121.10135	18.9
123.08023	1.2
123.11661	2.8
125.05979	3.1
127.03882	1.4
129.07013	0.9
130.07744	1.8
131.08574	4.4
131.74561	0.6
133.10098	5.6
135.08029	1.7
135.11682	48.9
136.11945	1.0
137.09612	0.9
137.13187	1.6
139.07516	2.1
143.08507	1.6
145.04916	1.5
145.10115	31.2
147.11676	2.4
149.13307	3.6
153.12721	1.4
159.11705	2.1
161.13182	2.6
163.05959	1.3
163.11177	61.9
164.11469	0.8
173.09628	0.8
173.13234	1.7
175.14734	0.7
177.16348	0.7
181.12210	11.0
187.14836	1.2
209.11729	1.5
227.12764	73.6
228.13153	1.4
243.21059	2.3
261.22122	8.3
262.79465	0.7
283.15381	100.0
284.15616	1.4
291.49045	0.7
315.12506	0.6
317.24802	3.1
333.13376	1.3
334.13589	1.1
335.25778	86.7
336.26047	3.1
337.26285	0.8
425.18695	0.8
427.19238	0.8
455.47281	0.7
529.38538	1.0
543.36774	84.9
544.36615	3.0
561.37897	1.3
687.39856	1.2
705.41370	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	39.0
69.03406	3.5
69.07059	13.2
69.74232	11.6
71.04980	3.7
73.02916	4.7
79.05487	20.8
79.97011	1.7
81.03417	4.4
81.07049	69.4
83.04984	4.0
83.08603	5.3
85.02904	14.9
85.06535	4.2
91.03959	8.3
91.05472	21.1
93.07036	28.0
95.04964	6.3
95.08601	32.4
97.02869	9.1
97.06499	4.8
97.10164	2.3
97.41257	1.6
99.04456	2.2
99.08076	2.0
105.07024	26.9
107.08585	20.9
109.06505	4.2
109.10129	10.2
115.81695	1.6
117.07005	3.6
119.08563	20.6
121.10119	20.1
123.08031	3.2
123.11695	16.9
127.03880	2.2
129.07030	2.4
131.08560	4.8
133.10118	7.6
135.11696	7.0
135.93782	1.7
137.13268	3.5
145.05002	4.0
145.10138	6.0
147.11676	36.6
149.13287	2.8
159.11722	2.3
161.13245	2.2
163.06053	4.6
163.14764	2.2
165.12721	13.7
173.13268	3.6
193.12248	3.1
229.14391	5.5
243.21111	4.3
261.22168	15.2
267.15903	56.3
279.23135	2.5
285.16931	60.6
317.24612	3.1
335.25766	100.0
527.37207	8.7
545.38287	64.6
661.74872	2.0
849.00226	1.9
905.45941	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	1.7
67.05502	52.7
68.05022	3.2
69.03440	10.4
69.07069	11.0
70.02943	5.7
70.06583	7.6
70.71844	3.0
70.72216	2.8
71.04982	5.4
72.04514	9.3
73.02903	5.1
79.05487	41.5
80.05014	8.7
81.03413	53.8
81.07052	59.2
82.06567	3.7
83.04955	5.1
83.08614	15.4
84.04469	3.0
85.02893	26.1
85.06522	1.7
91.03943	14.0
91.05471	30.3
93.06465	2.8
93.07040	46.3
94.06551	2.0
95.04952	21.9
95.08598	43.1
96.04506	10.2
96.08147	1.9
97.02891	17.9
97.06531	3.5
97.10163	5.3
98.06062	2.4
99.08099	1.5
101.05988	1.8
103.05532	1.4
105.07030	24.7
107.04926	5.4
107.08584	22.8
109.02871	1.8
109.06512	3.8
109.10148	15.4
111.04427	2.1
111.08070	6.4
115.03961	1.3
115.05389	1.8
117.07003	5.2
119.08574	20.4
120.08112	1.4
121.06496	3.0
121.10133	23.5
122.05995	1.9
123.08040	2.4
123.11709	5.5
125.09620	3.7
127.03910	6.4
129.07022	5.5
131.08559	18.3
133.10130	13.3
135.11694	10.2
137.09608	3.1
138.12743	5.1
142.07764	1.8
143.08517	1.6
144.06531	6.6
145.04944	5.4
145.10120	5.9
147.08116	2.0
147.11676	12.5
148.11192	5.7
149.09637	8.4
149.13214	6.6
150.12785	1.4
157.10120	10.6
159.11685	4.3
161.13271	4.8
162.07610	4.9
163.05995	3.8
163.14790	2.6
165.12761	1.8
166.12268	14.9
167.10684	2.3
171.11671	1.5
173.13272	3.3
175.11194	5.9
175.14839	2.3
180.08699	4.7
182.15392	26.1
184.13316	15.5
187.14723	2.9
192.13835	5.0
193.12247	18.2
202.25853	1.4
210.14890	58.9
211.13293	1.4
222.14996	1.8
227.12697	3.3
228.15918	3.1
240.15961	6.0
243.21114	4.3
249.14803	1.5
258.16928	6.1
261.22165	21.5
267.15909	93.4
284.18542	6.6
292.15445	1.5
301.25275	1.8
302.19586	9.2
309.16876	1.7
317.24554	2.5
327.10080	1.5
335.25784	100.0
336.25778	1.4
435.32632	2.4
453.33401	3.7
453.39404	1.5
462.94330	1.5
471.34555	2.4
518.38397	5.6
527.37311	48.0
536.39392	17.0
544.39728	5.6
545.38416	29.9
562.40997	66.2
569.38458	2.2
578.40314	1.9
604.41840	2.9
644.40936	1.8
646.43042	2.5
662.42523	2.0
680.43750	2.4
686.73041	1.4
698.44415	4.0
706.44690	5.9
724.46295	35.6
752.29199	1.4
778.32990	1.5
868.49951	2.1
886.34894	1.5
886.51501	29.6
907.37018	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
63.37584	0.3
65.03927	1.1
67.05501	30.5
69.03414	1.4
69.07062	9.0
71.04990	2.1
71.12191	0.3
71.12521	0.6
73.02911	1.5
75.46310	0.3
76.14456	0.4
77.03893	0.3
79.05487	28.2
81.03401	1.6
81.07052	31.7
83.04984	2.7
83.08608	6.7
85.02892	4.4
85.06504	0.9
91.03960	1.8
91.05473	12.7
93.03394	0.3
93.07036	38.4
94.07334	0.5
95.04967	5.8
95.08598	39.7
96.08890	0.4
97.02876	4.3
97.06519	3.5
97.10165	1.5
99.04448	2.7
99.08077	0.6
103.05503	0.5
105.04510	0.5
105.07027	8.9
106.16987	0.3
107.04285	0.4
107.04951	5.6
107.08585	24.3
107.24422	0.3
108.03334	0.3
109.02852	0.5
109.06519	1.8
109.10147	9.4
111.04411	1.0
111.08057	1.4
113.05973	0.7
113.09658	0.3
115.05447	0.5
117.07011	7.9
119.08575	10.5
121.06501	3.1
121.10134	17.3
123.08054	0.6
123.11687	2.3
125.05994	2.4
127.03880	0.4
129.06975	0.6
130.07739	1.0
131.08560	4.5
133.10130	5.0
135.08034	1.4
135.11681	35.8
137.09612	0.5
137.13220	0.8
139.07501	1.0
139.11061	0.4
143.08534	0.8
145.04939	0.5
145.10107	20.5
147.11682	2.7
149.09642	0.5
149.13258	2.5
153.12737	0.7
159.11694	2.0
161.13266	2.3
163.05968	0.8
163.11168	41.8
163.14839	1.3
164.11533	0.5
173.09544	0.6
173.13254	2.2
175.14787	0.6
177.12627	0.4
181.12242	6.6
187.14828	0.9
201.12599	0.3
201.16345	0.4
207.13803	0.3
209.11714	1.3
215.17822	0.4
227.12762	46.6
228.13098	0.5
243.21086	1.7
261.22107	7.2
283.15378	53.2
284.15787	0.5
317.24738	2.3
334.12131	0.3
335.25769	100.0
336.26096	2.2
399.83304	0.3
427.19330	0.5
451.31894	0.5
529.39001	0.7
543.36780	95.6
544.36853	2.4
561.12964	0.4
561.37836	0.9
687.40259	0.5
705.41705	0.7
902.54547	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.5622
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	2.7
67.05504	45.1
69.03428	1.9
69.07069	19.7
71.04988	5.8
71.08624	1.3
73.02900	2.5
73.99163	1.0
79.05487	20.5
81.03391	1.3
81.07053	72.1
83.04970	2.9
83.08617	16.8
85.02904	9.1
85.06543	3.5
91.03941	8.2
91.04355	0.8
91.05473	18.4
91.06015	1.6
93.07037	21.1
95.04957	1.8
95.08602	66.8
96.08950	1.3
97.02913	5.0
97.06531	7.2
97.10164	6.3
99.08099	2.4
105.07026	13.8
107.08582	11.5
109.06533	2.3
109.10153	13.4
111.08082	2.7
111.11746	1.5
113.09664	1.9
117.07011	1.5
119.08573	17.6
121.10129	8.0
123.08054	2.1
123.11729	5.6
125.09624	1.3
127.03939	2.1
131.08525	1.5
133.10132	12.9
135.11707	8.1
137.09624	2.3
137.13240	4.3
145.04991	2.6
147.11671	3.2
149.13280	2.6
151.14821	2.2
159.11749	1.4
161.13248	20.1
163.06021	1.8
163.14771	2.1
171.11647	1.2
175.14796	2.2
178.78752	1.0
179.14302	16.2
197.15434	1.5
237.58904	0.9
245.22664	4.0
253.18001	20.6
263.23712	8.1
271.19025	37.6
271.21890	1.9
335.25995	1.2
337.27353	100.0
338.27631	2.4
380.88638	1.0
441.37332	1.8
459.37943	1.5
515.40881	12.0
533.41992	77.9
534.42297	4.5
901.58856	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	2.2
69.03426	3.4
69.07070	0.9
70.02242	1.4
71.01345	0.6
71.04985	0.5
73.02914	3.7
75.04451	0.3
75.91093	0.3
79.05505	1.7
81.03429	1.1
81.07055	2.8
83.04978	0.4
83.08633	0.5
85.02895	5.4
91.03946	3.8
91.05489	1.1
93.07036	1.7
95.04959	0.3
95.08601	3.2
97.02888	5.8
97.06548	0.4
98.20760	0.3
99.04453	0.9
101.02370	1.8
105.07021	0.7
107.08591	0.7
109.02894	0.9
109.10152	0.6
115.03963	0.3
119.08593	0.7
121.10168	0.7
127.03918	2.0
133.10159	0.5
135.11725	0.4
146.12317	0.3
161.13255	0.7
179.14265	0.4
179.63835	0.3
185.04312	0.8
203.05287	1.0
243.08478	1.2
250.82176	0.3
260.27524	0.3
289.09036	0.3
347.09534	4.4
363.08878	1.3
365.10620	1.9
405.13620	7.9
421.13110	0.3
455.22467	3.1
455.28528	0.4
519.29297	1.7
617.27722	10.4
618.28845	0.3
681.34393	5.1
682.35138	0.6
733.45135	0.6
761.23810	0.3
814.08228	0.3
895.50153	100.0
896.50323	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	897.5177
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	4.4
69.03417	3.6
69.07081	1.5
71.05003	1.1
71.34292	0.9
73.02909	4.9
79.05500	1.9
79.36855	0.6
81.03409	2.8
81.07053	4.7
83.08649	0.7
85.02899	7.0
91.03948	2.9
91.05505	1.2
93.07065	1.6
95.08611	3.4
97.02881	5.5
99.04446	0.7
101.02404	1.8
102.39030	0.6
105.07063	1.2
107.08611	1.1
109.02895	0.8
109.10170	1.0
119.08599	1.1
119.38000	0.5
121.10159	0.7
121.31269	0.6
123.51025	0.6
127.03947	1.7
128.02338	0.6
133.10100	0.6
145.04984	0.7
150.64401	0.5
161.13304	0.8
185.04245	1.0
203.05443	1.3
243.08580	0.9
347.09409	4.6
363.09161	1.7
365.10745	1.6
405.13693	9.5
455.22504	4.1
480.38138	1.0
521.31140	2.6
537.41205	1.0
538.41779	1.4
617.27832	12.0
659.80432	0.8
683.35883	6.4
897.51733	100.0
898.51910	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	892.5625
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.9
67.05505	60.1
69.03416	3.0
69.06727	1.7
69.07071	25.8
70.20895	2.8
71.05001	6.7
71.08614	2.2
73.02917	4.2
77.03881	0.7
79.05058	1.7
79.05492	23.6
81.03421	1.9
81.07057	89.7
83.04984	4.8
83.08622	19.0
85.02908	14.9
85.06537	4.5
85.10168	0.9
86.82924	0.8
87.04475	1.1
91.03960	10.5
91.04961	1.4
91.05484	22.0
93.07045	25.5
95.04963	2.3
95.08607	86.4
97.02895	8.3
97.06539	10.7
97.10175	9.9
99.04420	1.3
99.08066	4.5
105.07030	17.2
107.08603	13.5
109.06514	2.0
109.10159	22.3
111.08074	5.4
111.11670	1.1
113.09659	1.5
113.96474	0.7
117.07059	1.2
119.08586	20.6
121.10148	12.4
123.08070	2.6
123.11722	8.7
125.09577	1.4
127.03897	3.0
131.08542	2.3
133.10139	16.2
135.11707	10.3
137.09624	2.3
137.13261	5.6
139.11125	1.1
141.12746	1.3
145.04968	4.1
145.10107	1.3
147.11661	5.8
149.13257	3.9
151.11218	0.9
151.14815	3.1
155.14320	0.8
159.11703	2.2
160.95842	0.8
161.11966	1.3
161.13260	21.0
161.64232	0.7
163.06024	4.3
163.14810	3.0
165.12787	0.9
165.16385	2.1
173.13188	1.5
175.14783	4.2
179.14330	12.8
179.17819	1.2
189.16357	1.9
191.17819	0.9
197.15390	1.7
245.22681	13.9
253.17981	24.4
255.19615	1.4
263.16125	0.8
263.23709	22.0
271.19049	83.8
272.19409	1.5
320.20850	0.8
331.54785	0.8
337.27365	80.0
338.27597	2.6
355.28513	2.0
441.37451	3.7
459.37909	1.5
515.41003	18.3
519.17767	1.0
533.42017	100.0
534.42578	5.0
551.43121	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.6
67.05499	1.6
68.99788	0.9
69.03432	4.7
69.07015	0.6
69.55923	0.7
70.06597	2.6
71.40620	1.0
72.08163	0.8
73.02926	1.1
73.63643	0.6
73.92845	0.6
79.05494	2.0
81.03414	5.7
81.07038	1.6
82.06585	0.9
84.04478	0.8
84.08158	1.0
85.02895	5.5
86.09703	1.0
87.00834	1.9
89.03941	1.3
91.05487	2.4
92.05056	0.6
93.07051	2.2
93.59515	0.6
94.06564	4.8
95.04985	1.2
95.07341	1.2
95.10212	0.7
96.08118	3.2
97.02878	4.9
97.06538	1.0
98.97638	0.9
99.04444	1.5
103.05461	1.5
105.01863	1.8
105.07033	0.8
106.06562	1.7
107.04948	1.1
107.07356	1.7
108.04486	1.7
108.08111	10.6
109.02861	5.7
110.06004	0.7
110.09689	5.3
110.15218	0.9
115.59938	0.7
116.04988	2.6
118.06542	1.5
120.04502	4.0
120.08092	8.4
121.06537	1.1
122.06036	7.6
122.09682	2.1
124.07596	5.4
127.03916	6.9
129.01770	0.9
132.04443	1.0
134.06010	3.2
136.07568	13.2
136.08539	1.1
137.05974	1.8
138.05551	1.3
138.09140	9.0
144.04445	4.4
146.06000	7.8
147.04451	1.2
148.07558	4.7
149.05991	0.9
150.09109	5.5
152.07123	2.1
160.04004	3.2
160.07590	1.0
162.05515	3.2
164.07112	1.8
165.09131	0.7
166.08638	25.6
167.06998	3.8
172.03932	26.7
174.05486	3.8
176.07036	3.4
177.05504	1.2
177.41553	0.7
178.05000	1.0
178.08577	1.0
181.04971	1.1
182.09778	0.8
183.09175	0.9
184.09840	0.8
184.11401	0.9
187.08707	1.1
188.07188	0.9
190.04971	19.0
191.07062	1.6
193.05025	1.0
195.09277	0.9
196.09924	1.2
197.10753	2.5
199.08655	0.7
199.12376	2.5
204.06551	47.5
207.06473	1.1
208.09901	0.7
209.08119	1.2
209.10699	1.4
210.09254	1.7
210.11313	1.0
211.08665	4.0
211.12289	1.4
212.09334	1.7
213.03949	1.1
215.11870	0.7
221.10828	0.7
222.07684	2.3
223.08702	1.3
223.12225	1.8
224.09369	1.2
225.10201	10.6
226.08623	0.8
226.10849	1.5
227.11761	12.9
235.08672	1.3
236.09441	2.4
237.10255	4.0
238.11052	2.3
239.11678	4.9
241.09702	1.3
241.13414	1.5
249.10373	2.4
250.11082	1.9
251.08096	0.9
251.11740	4.1
253.09717	7.2
253.12479	0.7
253.13315	0.7
254.10240	0.8
255.11330	3.1
257.12585	0.8
263.08157	1.7
264.09012	3.5
265.09784	2.3
266.10529	1.1
267.11411	2.7
269.12805	10.3
270.13654	0.9
271.10776	9.3
271.13617	1.0
273.12314	3.5
277.09875	2.1
279.11282	6.2
280.11865	1.2
281.09418	1.3
281.12903	3.0
283.10764	5.0
283.13522	0.8
284.11530	5.6
285.12439	5.1
286.13364	1.5
287.13885	11.7
289.13318	1.3
293.09338	1.2
295.10751	1.9
297.12286	8.6
299.13922	4.9
301.12277	1.1
302.12830	1.0
305.09262	1.0
307.10605	3.7
309.12390	2.0
310.13599	0.8
311.10501	0.8
311.14185	2.0
312.15048	1.8
313.12860	2.1
314.13052	2.4
315.13843	2.0
315.35123	0.8
316.10834	1.2
316.14551	1.4
321.08582	1.4
321.12311	0.8
323.10236	7.4
323.13675	1.1
325.11783	12.1
326.16534	2.0
327.13644	2.9
327.17352	1.5
328.10800	2.9
328.14526	2.8
329.15152	2.0
330.16068	2.1
331.16858	3.7
337.11789	0.9
338.12909	0.9
339.13733	3.5
340.10873	0.9
341.11575	1.5
341.15396	1.3
342.12445	8.1
342.16153	1.7
342.47778	0.8
343.12994	8.0
343.16824	1.2
344.13986	1.5
352.14481	1.0
354.12439	1.5
354.16306	1.0
355.13443	2.9
356.13925	7.7
356.17770	0.9
357.14517	20.0
358.15485	5.1
365.11600	2.7
366.15933	1.5
367.13351	1.2
368.13895	1.1
368.17902	1.1
370.11624	1.2
370.15616	5.0
371.16431	1.8
372.17517	1.0
374.18643	0.9
377.20389	0.7
378.18253	2.1
380.14063	3.1
382.11746	5.2
383.12729	2.5
384.13281	5.5
384.17465	1.1
385.14352	3.6
386.14874	2.9
386.19269	3.9
388.16733	1.2
390.18170	2.9
394.15680	1.0
396.17450	0.9
397.14667	1.5
398.15036	23.2
399.15775	33.8
400.16525	2.8
402.18314	1.4
404.15765	4.6
412.16614	3.7
414.18311	4.2
416.16019	16.6
417.16553	1.3
418.17462	0.7
422.16473	2.4
428.16010	6.4
430.17514	5.9
432.19318	0.9
438.34445	0.8
440.16000	10.4
446.17114	9.2
458.17105	35.5
459.17996	1.2
460.18845	1.1
472.18985	0.7
478.20172	2.1
479.20111	0.7
490.19730	12.8
505.22842	1.2
518.37030	0.8
522.23633	0.7
523.23621	0.8
526.19922	0.8
551.22803	1.1
555.15967	2.0
565.24554	2.4
569.23706	1.9
573.17157	16.1
575.22595	1.1
583.25574	1.4
591.18054	2.1
593.23730	8.1
595.25378	1.2
605.19989	3.1
611.24994	100.0
612.25262	4.3
625.26416	0.9
643.27612	9.1
773.29858	4.0
815.30951	6.5
817.29425	2.2
841.28601	1.3
859.13477	1.5
859.30231	30.6
860.29852	0.8
891.32257	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
63.39494	0.7
65.03927	1.3
67.05508	1.1
67.40339	0.7
69.03410	3.8
70.06589	1.3
71.59269	1.1
73.02928	1.3
76.77429	1.0
79.05488	0.9
80.04999	1.3
81.03390	3.9
81.07062	1.7
82.06558	1.3
84.08153	0.7
84.95455	0.7
85.02898	5.1
86.09687	1.3
87.00812	1.6
89.03951	0.9
91.05475	1.9
93.05799	0.8
93.07052	1.3
94.06570	4.1
95.04981	0.8
95.07312	0.9
96.08138	3.2
97.02888	2.9
99.04471	1.4
105.01872	0.8
106.06570	1.8
107.04987	0.9
107.07327	0.8
108.04476	2.0
108.08111	9.3
109.02878	5.6
110.09666	4.1
116.04972	2.1
118.06550	1.5
120.04438	3.9
120.08108	6.8
121.06507	0.7
122.06002	6.6
122.09657	2.1
124.07591	5.2
127.03894	5.8
131.04857	0.7
134.06020	2.3
136.07570	12.6
137.05986	1.7
137.08347	1.1
138.05482	0.9
138.09137	8.0
144.04425	4.5
144.08124	0.7
145.04990	1.1
146.06000	6.5
147.27014	0.6
148.07570	3.8
150.09114	4.5
152.07072	2.2
159.03015	0.9
160.03995	2.3
162.05481	3.5
163.03799	0.8
164.07068	1.1
166.08630	20.2
167.07153	1.1
172.03925	24.9
174.05548	2.6
176.07088	1.7
181.04922	0.7
182.09714	1.3
184.09863	1.1
190.04976	16.5
197.10876	1.7
199.12239	1.1
204.06541	40.2
205.06876	1.1
209.10753	1.0
210.09297	1.4
211.08722	2.9
211.12367	1.2
212.09448	1.5
213.10199	1.1
222.07657	2.1
223.08638	1.8
223.12357	1.0
224.09383	1.7
225.10202	8.8
226.10945	0.9
227.11790	11.9
235.08635	1.1
236.09361	1.4
237.10225	3.7
238.10986	1.9
239.11728	4.1
241.09711	1.7
241.13383	1.1
245.12688	0.8
249.10268	2.4
250.10855	1.4
251.11821	3.8
252.09016	1.0
253.09686	4.8
253.13393	1.0
254.10562	0.9
255.11336	2.2
263.08185	1.2
263.11823	1.0
264.08881	4.0
265.09781	2.8
266.10538	2.2
267.11331	2.7
269.12839	9.7
271.10712	9.0
273.12418	2.4
277.09866	1.9
278.10480	1.0
279.11142	4.9
280.12054	0.9
281.09543	1.0
281.12900	2.7
283.10703	4.3
284.11566	4.6
285.12311	3.8
287.13916	9.4
295.10815	2.0
297.12350	7.0
299.14081	5.1
302.12967	1.0
307.10745	2.4
309.12335	1.7
310.13434	0.9
312.15198	1.6
313.12381	1.4
314.12915	2.9
315.13718	2.0
316.10992	0.9
316.14206	1.3
317.15366	0.9
321.12332	1.4
323.10242	6.4
325.11795	12.0
325.15479	1.1
326.12808	0.9
326.16620	1.9
327.13611	2.8
327.17389	1.7
328.10907	1.7
328.14450	3.2
329.15146	1.8
330.12393	1.2
330.16003	2.7
331.16705	2.1
337.12234	0.9
338.12759	1.2
339.13434	3.0
340.14529	1.0
341.11731	1.4
341.15512	1.0
342.12512	6.9
342.15799	1.2
343.12988	7.4
343.16776	1.1
344.13910	1.3
352.14453	0.9
354.12216	1.2
354.16061	2.0
355.13385	2.3
356.13934	5.8
357.14432	18.8
358.15353	5.1
365.11438	2.0
366.16412	1.1
367.13428	1.0
368.13690	1.0
368.17877	1.0
369.15195	1.0
370.15582	4.8
371.16443	1.8
378.18082	0.9
380.13943	1.2
382.11563	3.9
383.12747	2.2
384.13031	3.7
384.17517	1.6
385.14032	1.7
386.14838	2.1
386.19165	3.6
388.16464	1.2
390.18237	3.1
394.15561	1.7
397.14682	1.4
398.14957	18.4
399.15753	27.4
400.16541	3.3
401.13159	1.0
402.18295	1.5
404.15945	4.3
410.15161	0.8
412.16617	2.7
414.18307	4.5
416.16019	15.7
417.16248	0.9
418.17697	1.1
422.16458	2.2
428.15961	5.5
430.17554	3.8
431.18323	1.0
440.16003	8.7
440.87061	0.8
446.17117	8.6
448.18451	1.3
458.17062	34.1
459.17542	1.4
476.18481	1.3
478.19650	1.9
490.19653	11.9
555.16071	1.6
565.24359	1.8
569.23975	1.7
573.17126	15.7
577.20386	1.3
583.25214	1.7
587.18164	1.1
591.18329	2.9
593.23834	8.3
595.25629	1.6
605.19702	3.8
611.24951	100.0
612.25226	4.1
643.27557	11.2
773.30170	2.9
815.31317	5.3
817.29218	1.7
841.28217	1.7
859.30255	29.6
860.31342	1.1
891.32666	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	3.8
67.05503	74.2
68.11155	1.0
69.03417	3.5
69.07067	22.5
71.04989	7.4
73.02908	6.0
79.05488	49.0
81.03408	1.7
81.07053	100.0
82.07338	1.5
83.04959	4.3
83.08620	14.4
85.02899	18.7
85.06534	6.7
91.03951	8.6
91.05479	33.9
93.00632	1.2
93.07038	52.3
95.04974	5.9
95.08601	95.6
96.08927	1.2
97.02892	9.7
97.06516	10.0
97.10159	4.5
98.21476	2.9
99.04437	1.6
99.08064	5.8
105.04553	1.3
105.06300	1.3
105.07017	25.5
107.08591	26.8
109.06497	3.6
109.10148	26.3
111.08082	4.6
113.09605	1.9
117.07005	6.8
119.08571	29.1
121.10136	24.4
123.08098	5.1
123.11687	7.8
125.09661	1.4
127.03926	4.1
129.07010	1.5
131.08562	13.8
133.09129	1.5
133.10124	21.2
135.11679	19.6
137.09592	3.7
137.13219	4.7
145.04955	4.9
145.10120	8.5
147.11691	7.7
149.13234	9.3
151.11166	1.5
159.11664	7.4
161.13261	25.5
163.06073	3.9
163.14818	5.5
171.11737	1.3
171.84508	1.0
173.13245	6.2
173.59656	1.2
175.14854	2.6
177.12685	1.2
177.16417	1.5
179.14308	15.6
187.14801	2.2
195.23514	1.2
197.15402	2.5
199.14995	1.3
201.16302	2.1
229.62224	1.5
233.22632	1.9
241.17972	1.4
243.21075	9.9
253.17944	27.1
261.22125	36.1
262.22501	1.2
269.17508	3.4
271.19028	84.7
272.19144	1.8
279.23044	2.6
317.24811	2.9
335.25775	83.8
336.26099	2.3
337.27243	3.4
353.26846	12.7
439.35513	4.2
457.36874	5.6
513.39417	13.9
519.01544	1.0
531.40436	92.2
532.40643	4.9
549.41382	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	889.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02381	0.4
65.03928	0.2
67.05492	0.1
68.99786	0.4
69.03072	0.2
69.03426	3.9
69.52772	0.3
69.53173	1.0
70.06578	0.3
71.01348	0.1
71.04992	0.4
73.02905	0.5
73.86089	0.1
78.04699	0.2
81.03410	5.3
84.08156	0.2
85.02900	2.6
86.09657	0.2
87.00826	2.2
89.03912	4.8
91.03959	0.3
91.05454	0.4
93.07021	0.2
95.04947	0.3
95.98048	0.1
97.02875	1.9
99.04471	0.9
103.03953	0.1
103.05436	0.2
105.01852	1.1
105.03415	0.1
106.04219	0.3
109.02869	2.8
111.00794	0.5
111.05134	0.2
116.98632	0.3
117.01845	0.6
117.03371	13.7
119.04964	0.2
121.02865	0.5
124.05194	0.2
127.03906	3.3
128.82756	0.1
131.04912	0.2
134.03606	1.1
135.04410	1.6
137.02336	4.9
137.03384	0.2
138.02850	0.1
145.02835	39.7
146.03195	0.2
147.04356	0.2
149.02315	0.5
149.05977	4.8
153.01805	1.9
159.02904	1.8
161.05984	0.3
162.03093	0.1
163.03926	1.2
165.01830	0.9
171.02895	0.4
173.05974	0.2
177.05457	100.0
178.05809	0.8
183.02914	0.3
183.04413	0.2
186.05505	1.0
187.03918	0.2
195.02802	0.1
195.06488	1.1
201.05463	0.8
205.04982	0.2
207.06419	0.2
213.03841	0.2
215.03296	0.2
217.04880	0.2
219.06477	0.2
229.04935	2.0
231.04971	0.9
247.05972	0.5
257.04413	1.5
261.03983	0.2
261.07697	0.2
270.99475	0.2
274.04663	0.3
285.03839	0.4
285.07693	0.2
303.04971	56.3
304.05341	0.7
315.04999	0.3
321.09689	5.2
339.10751	6.7
340.10855	0.1
345.05972	0.9
369.06094	0.2
411.06989	0.3
425.10910	0.1
533.08990	0.2
641.14795	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03901	1.8
67.05499	46.0
69.03381	1.9
69.07062	15.9
71.04988	3.1
73.02901	3.3
74.01213	0.7
79.05486	27.9
80.05771	0.6
81.03374	1.7
81.07050	57.5
83.04978	4.4
83.08613	8.7
85.02442	0.7
85.02898	12.1
85.06507	2.7
87.51321	0.6
91.03475	0.6
91.03944	6.2
91.05473	13.3
93.07034	42.0
95.04950	4.6
95.08598	26.6
97.02376	0.6
97.02892	6.1
97.06516	6.3
97.10138	1.4
98.20784	1.5
99.04416	0.8
99.08041	2.3
102.81001	0.6
105.07014	8.3
105.75648	0.6
107.08587	22.9
109.06513	1.5
109.10140	7.9
109.59520	0.6
111.08089	4.2
111.11656	0.9
113.06010	0.6
115.03928	0.8
115.54574	0.7
117.06992	7.9
119.08560	4.7
121.10133	17.9
123.08070	0.7
123.11716	3.9
124.05095	0.6
125.09591	1.0
127.03895	3.8
131.08549	8.3
133.10150	7.0
135.08003	1.3
135.11691	9.5
137.09673	0.7
137.13254	1.1
139.11104	1.5
145.04970	3.0
145.10114	3.8
147.11647	2.5
149.13245	22.1
159.11696	9.5
161.13223	2.5
163.06059	3.3
163.14764	2.5
173.13214	2.5
175.14786	1.1
177.12700	4.3
187.14836	1.4
195.13783	7.0
213.14793	1.5
224.22800	0.7
243.20982	2.0
261.22134	9.4
267.16013	3.0
269.17450	100.0
270.17746	2.2
317.24860	1.4
333.24054	0.8
335.25778	49.8
336.26022	1.1
347.04059	0.7
368.76028	0.7
396.49655	0.7
437.33920	1.4
455.35342	1.1
466.21957	0.7
511.38235	0.9
517.12433	0.7
529.38843	91.5
530.39423	3.1
547.39948	2.7
888.47363	4.7
889.48688	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.8
67.05505	36.5
69.03420	1.6
69.07068	9.6
69.30389	4.5
69.62876	0.4
69.75638	0.4
70.35123	0.4
71.04989	2.2
71.08617	0.4
73.02911	1.9
79.05493	24.6
81.03400	1.6
81.07057	43.1
83.04982	3.4
83.08622	5.5
85.02903	7.6
85.06550	1.8
87.04452	0.4
91.03960	5.1
91.05482	12.2
92.44878	0.5
93.07043	37.2
95.04987	3.3
95.08609	21.1
95.09230	0.9
96.04471	0.4
97.02902	4.0
97.06526	5.5
97.10155	1.5
98.21445	0.9
99.04469	0.8
99.08088	1.6
105.07029	8.1
107.08594	19.5
108.08980	0.5
109.02862	0.4
109.06528	1.5
109.10165	7.8
111.08080	3.0
111.11650	0.6
113.09602	0.5
117.07010	4.2
119.08577	5.5
121.06519	0.7
121.10146	13.6
123.08073	0.4
123.11686	2.4
125.09624	0.5
127.03899	1.8
127.07539	0.7
130.07773	0.5
131.08575	6.6
133.10135	5.8
135.08098	1.1
135.11684	7.8
137.13275	0.5
137.46393	0.5
143.08562	0.4
145.04984	1.6
145.10106	3.3
147.11662	3.1
149.13257	14.5
151.11261	0.5
157.10150	0.5
159.11693	7.6
161.13284	1.9
163.05998	1.6
163.14853	1.3
170.28568	0.4
173.13254	2.2
175.14870	0.8
175.21178	0.4
177.12749	2.4
179.14297	0.5
187.14882	0.8
189.16411	0.6
194.09744	0.4
195.03127	0.4
195.13797	4.0
201.16405	0.5
213.14824	0.6
233.22679	0.6
243.21037	2.7
261.22162	8.2
267.16022	1.9
269.17480	45.5
270.17847	1.1
317.24911	2.4
333.24414	0.9
335.25797	43.1
336.26355	0.8
437.34229	1.4
455.34937	1.1
511.37939	1.0
529.38898	100.0
530.39246	3.4
547.40332	2.2
734.82080	0.6
847.83362	0.5
888.47864	0.8
890.87878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.5189
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	82.2
69.03410	16.9
69.07054	17.2
69.73231	3.6
70.77946	4.4
70.78294	7.1
71.04988	22.6
79.05496	47.8
81.03413	24.4
81.07050	100.0
83.04968	11.4
83.08616	14.0
85.02891	8.2
85.06516	10.1
91.05482	47.2
93.07037	49.1
95.04970	11.4
95.08601	31.6
97.02879	16.2
97.06501	5.7
97.10135	4.3
98.25306	3.3
105.07037	23.0
107.08579	30.9
109.02880	3.6
109.06461	4.1
109.10166	17.3
111.04432	5.6
112.50182	3.8
117.07009	9.1
119.08558	10.0
121.10137	20.3
123.11697	15.4
127.03922	9.1
129.05460	4.3
131.08553	15.4
133.10126	21.2
135.11678	13.9
145.10114	5.4
147.11658	8.5
149.13202	8.2
151.11180	8.6
159.11693	11.2
161.13249	4.1
171.11671	3.6
173.04495	9.1
177.12741	6.1
187.13287	9.3
195.13852	5.1
201.14854	4.2
219.00020	3.4
243.15941	8.8
261.22144	5.2
269.17407	8.5
335.25787	35.4
339.18060	4.3
413.21375	4.1
503.37369	53.5
529.39374	23.5
556.68042	3.7
561.41522	59.8
673.42480	6.3
705.45111	11.1
885.55432	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	10.1
65.03929	2.9
67.05496	43.9
69.03428	4.7
69.07064	16.8
69.33326	15.2
69.33729	4.0
71.04980	3.0
72.39501	1.6
73.02901	3.0
79.05485	34.7
81.03419	3.2
81.07047	59.7
83.04983	2.8
83.08610	7.6
84.03206	1.8
85.02900	12.9
85.06541	2.5
91.03957	7.0
91.05471	26.4
93.07035	39.0
95.04978	4.5
95.08597	41.8
95.67801	1.6
97.02882	7.5
97.06514	3.4
97.10164	4.0
98.20708	3.2
99.04440	2.0
99.08083	3.4
100.82061	1.7
105.07015	33.2
107.08595	23.5
109.10147	16.4
111.08043	2.1
117.07003	9.6
119.08563	30.8
121.10132	22.5
123.08079	3.1
123.11667	8.0
127.03896	3.9
129.07027	3.7
131.08549	15.8
133.10117	16.4
135.11670	10.7
143.08549	5.1
145.04951	3.3
145.10100	13.5
147.11659	21.1
149.13264	7.3
157.10149	5.8
159.11699	9.5
161.13295	5.0
163.06018	2.7
163.14807	2.7
165.12749	8.0
169.10083	4.2
171.11697	5.8
173.13286	8.0
175.14818	6.0
185.13277	6.7
186.00940	1.7
187.14844	4.2
189.16331	2.2
198.31839	1.8
199.14836	4.5
239.16356	16.5
241.17937	7.0
259.20587	5.2
261.22012	2.8
273.22079	1.9
333.24246	5.1
335.25787	21.5
407.33041	5.1
419.31870	3.0
425.34125	17.5
443.34848	7.9
447.31201	2.3
499.37811	36.9
517.38861	100.0
518.39392	3.4
648.81079	2.3
668.76068	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	0.5
61.78991	0.4
67.05479	1.0
68.67970	0.3
69.03421	3.1
69.07049	0.6
70.06570	1.6
71.12753	0.3
71.60099	0.7
73.02885	0.5
79.05487	1.9
80.04987	1.1
81.03400	1.8
82.06557	0.9
84.04478	0.4
84.08122	0.4
85.02901	5.9
91.05474	2.6
93.05788	0.4
93.07036	6.4
94.06563	5.5
95.04936	1.3
95.07340	4.8
95.08588	0.9
96.08124	14.9
96.08753	0.8
97.02895	2.0
97.06499	1.7
99.04423	0.6
103.05437	1.0
106.06512	0.4
107.07323	0.3
108.04466	0.4
108.08098	12.1
109.02835	1.0
109.08879	1.1
110.09671	27.6
118.06476	0.8
120.08096	19.0
121.06481	0.6
121.34986	0.3
122.06036	1.5
122.09634	0.6
123.06790	0.7
124.07609	2.3
127.03896	1.4
131.11809	0.4
136.07567	8.7
138.05492	0.9
138.09125	38.0
139.09454	0.5
144.04463	0.5
146.05969	1.6
148.07571	6.1
150.09138	2.4
152.07074	1.0
154.08604	1.0
162.05476	0.6
163.03935	0.4
164.07143	0.7
166.04951	1.1
166.08624	66.5
167.07040	0.4
167.08972	1.2
168.06616	0.7
168.10121	0.4
172.03932	4.2
174.05476	0.8
174.09087	0.4
178.08676	0.4
180.06593	0.7
189.88750	0.4
190.04967	2.8
192.06531	0.5
197.10732	0.6
198.07677	1.0
204.06555	4.6
204.89488	0.4
206.08174	0.9
209.10701	0.5
211.08676	1.7
211.12325	0.5
213.10121	1.0
219.01761	0.4
223.08640	1.6
224.09404	0.8
225.10216	2.5
226.07394	0.5
227.08141	2.6
227.11737	1.0
237.10188	10.5
238.07278	0.4
238.10947	1.2
239.08130	4.4
239.11719	2.4
240.08829	0.6
241.09741	4.3
243.11295	1.0
247.08607	0.8
249.10150	1.1
250.08478	0.7
251.08093	3.4
252.08940	1.5
253.09703	10.3
254.10466	0.6
255.07426	0.9
255.11249	3.6
257.09235	0.5
265.09695	21.6
266.07095	1.1
266.10431	1.8
267.07681	3.9
267.11270	6.4
268.08447	0.4
269.09155	2.0
271.10648	0.7
275.08173	0.5
277.09741	1.1
279.07620	2.3
279.11200	0.7
280.08560	0.7
281.09180	15.0
282.09860	1.1
283.10745	13.9
285.12384	0.6
286.09464	0.9
287.10248	3.0
293.05859	0.8
293.09195	16.0
294.09839	1.6
295.10721	15.5
296.11407	0.5
297.08841	0.5
297.12079	0.6
298.09409	0.5
299.10266	7.1
299.13553	0.3
301.11755	1.8
303.04926	4.6
307.10794	0.5
309.08768	4.5
309.12250	0.7
311.10223	16.5
312.10873	0.6
313.11667	2.1
315.09839	0.4
315.13290	0.7
321.08649	10.4
321.12292	0.7
325.11740	3.7
327.09738	18.4
327.13144	0.9
328.10178	0.6
328.14093	0.4
330.12296	0.9
331.13000	1.3
339.09717	30.2
340.10175	0.6
341.11304	4.4
343.12750	2.0
344.13797	0.8
353.11325	6.3
355.13321	0.5
357.10629	0.5
357.14615	1.3
358.15677	0.9
359.12323	30.2
360.12793	1.0
371.12338	19.0
372.12949	1.7
388.16595	1.7
390.18121	0.5
391.14926	0.7
400.16589	1.6
416.16046	0.9
418.17575	5.6
428.15915	1.2
436.18787	2.4
446.17169	8.2
448.18668	1.3
464.18176	14.4
474.16483	3.5
478.19516	0.6
480.21683	0.4
487.17029	1.4
488.17865	0.4
492.17621	75.6
493.17896	3.0
496.20618	0.7
506.19174	5.9
510.18457	2.0
524.20251	100.0
525.20471	3.6
525.59229	0.4
538.21460	0.7
556.22546	1.0
618.20941	0.6
636.21851	0.8
654.22900	7.0
686.25397	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	876.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	1.5
65.03906	0.4
67.05447	0.6
69.03425	6.6
70.06528	1.3
70.81636	1.0
71.04936	0.9
72.08115	0.3
73.02898	1.5
79.05427	1.1
80.04959	0.7
81.03415	3.4
81.07001	0.6
82.06507	0.5
83.01299	0.4
84.08089	0.7
85.02895	9.9
86.09662	0.8
87.04399	0.8
91.03899	0.4
91.05408	1.4
92.04972	0.3
93.05727	0.8
93.07042	2.3
94.06552	4.6
95.04913	0.6
95.07339	1.5
95.08562	0.3
96.08124	4.6
97.02892	4.3
97.06464	0.5
98.26152	0.3
99.04427	1.6
101.02301	0.4
102.72617	0.3
103.05420	0.7
105.06973	0.4
106.06481	0.9
107.07335	1.6
108.04410	0.8
108.08105	8.2
109.02870	1.5
109.03448	0.3
110.05983	0.6
110.09666	8.5
118.06458	0.8
119.07276	0.5
120.04448	2.4
120.08090	10.0
121.06424	0.3
122.06017	8.2
122.09663	4.9
124.07523	1.3
127.03897	1.9
132.08037	1.0
134.05943	0.7
134.09592	0.3
135.04391	0.4
135.11569	0.3
136.07564	13.4
137.05855	0.9
137.08305	0.7
138.05418	0.9
138.09125	14.6
144.04413	0.5
145.04839	0.4
145.10051	0.3
146.05998	2.3
146.09563	0.5
148.06561	0.5
148.07565	6.3
150.05455	1.2
150.07976	0.4
150.09117	8.1
152.07016	2.0
152.10674	0.6
159.06737	0.4
160.03951	0.4
160.07512	0.8
161.05882	0.3
162.05461	0.5
162.09036	0.8
163.03847	0.4
164.06992	2.0
164.10593	0.3
165.07751	0.3
166.08623	28.2
167.07088	1.4
168.10095	0.9
172.03899	2.0
174.05453	0.6
174.09091	0.6
175.03738	0.3
176.10695	0.9
177.05389	0.8
180.10161	1.2
182.11682	0.6
183.09074	0.5
184.09892	1.0
185.10678	0.5
188.06929	0.3
190.04948	2.2
190.08557	0.4
192.06465	0.6
192.10190	0.6
194.08131	2.0
196.09752	1.2
197.10704	1.8
197.73682	0.3
198.11424	0.6
199.12204	0.7
202.08543	0.4
204.06566	1.0
207.06458	0.4
208.09807	0.6
209.10690	1.6
210.11317	0.5
211.12184	1.0
212.09372	1.4
212.12851	0.4
213.10112	0.9
215.11806	0.3
220.09886	0.6
221.10649	0.8
222.07697	0.6
222.11353	0.7
223.08632	1.3
223.12210	1.6
224.09335	1.3
225.10207	5.3
226.10938	1.3
227.11777	3.3
233.10646	1.8
234.11375	0.5
235.08626	2.3
235.12238	1.2
236.09305	2.6
237.10191	13.7
238.10931	2.2
239.08130	1.7
239.11746	5.8
240.12494	0.8
241.09630	1.5
241.13249	0.7
245.12819	0.8
246.07724	0.5
247.08635	0.7
248.09386	3.3
249.07588	0.4
249.10216	10.3
250.10994	3.8
251.08105	2.6
251.11757	11.3
252.08876	1.5
252.12521	3.3
253.09689	7.2
253.13301	1.0
254.10378	1.3
255.07536	0.3
255.08408	0.4
255.11264	4.9
261.07416	0.4
261.10223	7.3
262.10950	1.9
263.08231	0.9
263.11765	8.5
264.08826	1.3
264.12405	0.9
265.09692	16.9
265.13208	1.4
266.10449	2.8
266.13083	0.4
267.11240	9.4
268.08807	0.4
268.11942	0.9
269.09137	0.8
269.12778	1.3
271.10803	2.3
273.12448	1.5
274.06979	0.4
275.08105	0.5
276.08752	1.0
277.09650	5.2
278.06589	2.6
278.10446	6.0
279.07690	3.3
279.11206	21.3
280.08768	0.6
280.11938	3.5
281.09140	4.7
281.12775	3.4
282.09912	2.0
282.13083	0.5
283.10736	7.4
283.13950	0.7
284.11401	0.8
285.12286	1.9
287.13889	1.6
289.09686	14.7
290.10266	1.4
291.11227	6.7
292.08405	0.6
292.11874	0.7
293.09146	8.9
293.12787	6.6
294.09998	4.1
294.13394	0.8
295.10794	5.4
295.14160	0.8
296.11490	4.1
297.08646	1.2
297.12305	4.9
298.09445	0.8
298.12988	0.9
299.10312	2.9
299.13623	0.7
300.10941	0.4
301.11932	0.5
305.09189	1.0
306.09769	1.5
306.12946	0.4
307.10748	5.6
308.11435	1.7
309.08768	0.8
309.12262	7.5
310.09613	0.4
310.13092	1.0
311.10184	8.5
311.13849	4.4
312.10999	4.4
313.11826	5.2
314.12674	1.6
315.13599	0.6
317.09113	1.8
319.10809	1.2
321.08704	0.9
321.12247	1.2
323.10156	2.8
323.13867	3.8
324.11032	3.1
325.11819	8.1
326.12582	3.8
327.13388	7.1
328.14453	0.8
329.14966	1.0
330.12106	0.4
330.15869	0.7
333.08548	0.6
335.10211	23.6
336.10831	0.7
337.11777	4.8
338.12366	0.6
339.10034	2.1
339.13354	52.6
340.10443	5.4
340.13986	1.0
341.11237	6.3
341.14993	1.9
342.16110	0.9
343.12885	0.5
344.17548	0.8
349.11707	1.0
351.09686	0.4
351.13452	0.4
352.10461	1.9
353.11285	13.4
353.14993	0.6
354.12003	6.1
354.15704	0.4
355.12851	19.0
356.13565	0.7
357.14633	0.6
358.15448	0.7
365.11414	0.4
366.12109	0.7
367.12839	38.9
368.13571	1.0
369.14636	0.7
370.15503	0.7
371.12054	0.5
372.17032	1.1
373.13947	0.4
381.14395	0.5
382.15561	0.6
384.17227	0.5
385.13925	0.6
386.14816	0.9
386.19174	0.4
387.15268	0.5
388.20389	0.4
390.18027	0.4
399.15479	0.9
400.16571	1.2
402.18210	0.6
404.19812	0.5
414.18332	0.8
416.20178	0.6
418.17548	0.9
428.15845	0.5
432.19180	2.1
442.17554	1.7
444.19092	1.2
446.16534	0.6
447.17862	0.6
460.18762	4.6
461.19522	0.4
462.19916	0.4
470.17270	1.3
472.18835	0.5
474.20337	1.2
478.19778	2.1
479.14587	0.5
479.20618	1.1
488.18143	17.4
489.18671	0.5
490.19226	0.7
492.21155	2.2
494.22562	0.4
502.19785	1.2
506.19165	19.1
517.18420	0.5
520.20752	17.1
529.18188	0.4
534.18469	0.8
538.21942	1.4
552.23199	1.0
622.24249	0.7
632.22076	0.6
650.23419	7.8
656.27960	0.6
664.24951	1.0
668.25317	0.5
682.25964	39.1
683.26056	1.2
714.28839	0.5
784.29120	0.4
794.27802	0.5
812.28711	8.5
826.29633	1.1
830.29437	0.4
844.31226	100.0
845.31763	3.2
876.34125	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	2.7
65.03933	0.5
69.03426	7.0
70.06581	2.3
71.04987	1.0
71.60004	0.7
73.02923	1.6
79.05091	0.5
79.05515	1.7
80.05038	0.7
81.03412	3.7
81.07082	0.7
83.05005	0.5
84.08129	1.0
85.02901	10.6
85.03411	0.6
86.09703	0.9
87.04474	0.8
88.04482	0.4
91.05478	1.7
93.05773	0.6
93.07063	1.8
94.06567	5.7
95.04968	0.6
95.07372	1.2
96.08121	4.7
97.02890	4.3
99.04469	1.5
103.05459	0.6
105.07053	0.8
106.06614	0.8
107.07339	1.6
108.04486	0.6
108.08110	8.2
109.02900	2.2
110.06027	0.6
110.09679	9.8
110.10383	0.8
118.06536	0.6
120.04498	2.3
120.08093	7.4
121.06505	0.7
122.06017	8.5
122.09666	5.1
124.07599	1.6
127.03897	2.9
127.04790	0.5
131.07254	0.5
132.08096	1.0
134.06041	1.0
134.09735	0.7
136.07562	12.3
136.08517	0.8
137.06082	0.6
137.08298	0.6
138.05487	1.2
138.09131	16.2
144.08072	0.7
145.02853	0.7
146.05989	2.3
148.07550	7.1
148.08476	0.7
149.05905	0.5
150.05490	1.2
150.09138	7.4
150.10176	0.7
152.07109	1.7
154.05054	0.6
160.07603	0.5
161.06013	0.6
162.05554	0.7
162.09195	0.5
163.03925	0.8
164.07094	1.9
165.26007	0.6
166.08629	28.2
167.07051	3.2
168.07381	1.0
168.10333	0.6
172.03998	1.6
174.05589	0.8
176.10681	1.1
177.05463	0.9
180.10263	1.6
184.09911	0.8
190.04965	2.3
194.08205	1.9
195.09091	0.6
196.09937	1.4
197.10811	1.5
198.11595	0.9
199.12335	0.6
206.08145	0.5
207.06654	0.6
209.10876	0.9
210.11552	0.5
212.09494	1.0
212.95320	0.6
213.10255	0.9
218.04648	0.8
221.10760	1.3
222.11510	0.7
223.08765	1.4
223.12389	1.6
224.09575	1.8
225.10236	5.2
226.11125	1.4
227.11760	3.3
233.10812	1.8
235.08766	2.1
235.12303	0.9
236.09383	2.3
237.10199	14.5
238.10907	2.7
239.08235	1.8
239.11774	5.3
241.09796	1.1
246.07948	0.6
248.09335	3.0
249.10217	9.8
250.11012	3.9
251.07971	3.2
251.11795	11.2
252.08983	1.6
252.12585	2.3
253.09682	7.8
253.13496	1.0
254.10599	0.9
255.11308	4.4
261.10229	7.4
262.11087	2.2
263.08380	1.7
263.11893	8.7
263.14413	0.6
264.08951	1.1
264.12527	1.0
265.09705	18.7
265.13303	1.6
266.10315	2.8
267.11261	9.1
268.08618	0.7
268.12018	0.9
269.09277	1.4
269.12787	1.1
271.10751	2.6
273.12424	1.5
276.08951	1.5
277.09772	5.7
278.06754	3.0
278.10605	6.7
278.12897	0.5
279.07797	3.7
279.11227	22.4
280.08978	0.8
280.12128	3.2
281.09674	3.9
281.12421	3.8
282.10126	1.5
283.07703	0.4
283.10751	9.1
284.11609	0.9
285.12506	1.7
286.13135	0.6
287.14081	1.5
289.09683	15.6
290.10574	1.8
291.11252	6.9
292.08530	1.1
292.11951	1.0
293.09271	8.2
293.12943	7.5
294.09988	4.7
294.13226	0.7
295.10849	5.8
295.14197	1.0
296.11514	4.9
297.08813	1.2
297.12430	4.7
298.09814	0.6
299.10315	2.5
299.13715	0.7
300.11237	0.7
301.11951	0.8
305.09421	1.5
306.09885	1.3
307.10779	6.2
308.11487	1.2
309.08890	0.8
309.12234	7.2
310.13013	1.1
311.10339	7.2
311.13977	4.2
312.10965	4.7
313.11780	5.1
314.12698	1.6
315.13458	0.9
317.09204	2.7
319.10855	1.8
321.08780	1.2
321.12222	1.2
323.10352	2.3
323.14035	4.6
324.11008	3.1
325.11765	7.5
326.12503	4.3
327.13394	9.2
328.14368	0.9
329.14932	0.7
333.08640	0.6
335.10223	21.9
336.10983	0.6
337.11789	4.6
339.09756	2.0
339.13370	53.2
340.10617	5.0
340.14197	1.4
341.11423	6.0
341.15308	1.8
342.16046	1.3
349.11859	0.7
352.10492	1.1
353.11273	11.1
353.15631	0.6
353.93884	0.5
354.12137	5.6
354.15994	1.0
355.12885	16.2
355.17194	0.9
356.18018	0.8
357.14548	0.6
358.15540	0.9
366.11957	0.8
367.12866	38.7
368.13416	0.8
371.12708	0.9
372.17111	1.0
374.14954	0.6
381.14658	0.9
382.15829	0.7
384.17349	0.7
385.13858	0.9
399.15607	0.8
400.16595	1.0
416.19946	0.8
419.18140	0.6
428.15973	1.0
430.17847	0.9
432.19281	2.1
442.17831	2.1
444.19162	1.5
460.18710	4.3
470.17029	0.8
474.20554	1.1
478.19611	1.7
487.17410	0.7
488.18173	17.7
490.19977	0.9
492.21478	2.4
502.19580	1.0
506.19205	20.0
517.18384	0.9
520.20734	18.5
534.18945	0.9
538.22021	1.3
622.24060	1.3
632.22638	0.7
650.23456	7.5
654.26898	1.0
656.27844	0.7
682.25970	39.1
683.26434	0.8
784.28534	0.7
794.27576	0.6
812.28687	8.5
826.30914	1.5
844.31268	100.0
845.31390	2.6
876.32880	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	0.9
70.06580	4.6
71.59779	0.6
71.95250	2.4
72.08154	0.8
78.94695	0.6
79.05471	0.6
81.03407	0.7
81.07044	0.7
84.08146	0.9
84.95514	1.2
84.96029	21.7
85.02875	1.0
86.09701	1.3
91.05453	0.8
93.07024	2.2
97.02893	0.5
97.96807	0.7
98.97575	100.0
102.97055	3.1
105.07060	0.6
107.08601	2.7
110.97552	1.4
112.99109	9.6
116.98614	86.4
119.01943	0.6
119.08621	0.5
120.08050	0.8
120.98096	1.6
121.49673	0.6
126.97055	0.6
128.98607	4.8
129.10222	0.9
131.00163	30.0
133.10085	0.5
134.99649	47.8
135.11700	0.6
137.05948	0.6
140.00189	3.4
140.98495	2.9
143.00159	1.0
144.98077	2.6
146.99643	5.2
147.04417	0.7
149.01219	37.5
153.00693	6.0
154.01756	1.3
158.01251	2.3
158.99640	27.4
159.03209	0.7
161.01205	2.7
161.02928	0.6
162.99139	8.6
163.14716	0.6
164.03383	0.5
165.00708	1.4
167.02274	5.7
167.07031	1.0
172.02847	1.6
173.01219	26.4
175.04033	0.5
177.00703	70.1
178.01015	0.6
179.01028	0.6
181.00186	1.6
182.12883	0.6
183.03326	0.5
185.01213	1.6
189.00742	1.6
191.02261	38.9
195.01756	11.6
199.06480	1.1
200.02339	3.8
201.00711	8.6
203.02316	3.0
203.03966	0.8
207.01776	0.9
209.03320	2.1
214.03870	2.3
219.01758	16.7
231.01752	1.5
233.03357	6.6
234.57266	0.5
237.02820	2.4
237.07939	3.0
251.09528	53.4
252.09969	0.9
255.09021	8.0
261.02838	3.5
263.09561	2.5
265.11096	12.1
269.10590	79.3
270.11053	0.6
277.11194	1.3
279.09039	2.4
281.10596	3.6
283.12167	13.5
286.32037	0.6
287.11685	3.1
292.12167	5.1
293.10568	38.6
295.12045	0.9
297.10010	3.2
306.13797	0.9
311.11646	55.4
323.11642	24.7
323.15549	0.7
325.13187	29.5
334.13290	3.9
335.13635	0.6
353.12653	12.4
371.13718	19.9
389.14822	1.3
413.14816	83.4
414.15073	1.0
428.02902	0.5
431.15720	0.7
432.30038	0.5
457.13812	43.6
458.14240	1.0
572.64990	0.7
896.62982	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	2.0
62.36303	0.7
65.03941	4.1
67.05505	73.2
69.03435	1.8
69.07068	25.6
70.66212	1.7
70.66586	1.3
71.04990	6.1
71.08623	0.8
73.02925	1.3
73.06572	1.0
77.03890	0.7
79.05492	44.0
81.03433	1.0
81.07057	100.0
82.07394	1.4
83.04992	4.2
83.08620	16.3
85.02887	3.4
85.06538	5.3
91.03964	1.2
91.05481	36.1
92.05837	0.9
93.07043	49.3
95.04972	6.7
95.08604	92.7
96.08938	1.4
97.02904	2.1
97.06535	10.5
97.10159	5.4
99.04476	0.8
99.08107	3.8
105.04549	1.0
105.07030	26.0
107.07858	1.2
107.08592	25.1
109.06520	3.7
109.10152	25.4
111.08116	3.7
113.09666	1.5
115.07603	0.8
117.07018	7.8
119.08577	28.8
121.10144	21.7
121.11019	1.2
123.08091	3.4
123.11732	7.5
125.09647	1.1
127.03924	1.0
129.07016	1.2
131.08566	11.9
133.10129	25.2
134.10501	1.1
135.11690	17.3
136.12018	0.9
137.09598	1.8
137.13258	5.8
141.03120	0.8
143.08554	0.9
145.10123	7.4
147.11682	6.2
149.13245	7.6
151.11221	1.3
159.11679	6.0
161.09615	0.9
161.13252	22.7
162.13664	0.8
163.14861	5.2
164.94267	0.6
165.12756	0.9
171.11595	1.4
173.13264	5.4
174.15640	0.7
175.14783	1.6
177.12761	1.1
177.16417	1.2
179.14305	12.1
185.13232	0.8
187.14861	3.1
199.14967	0.9
201.16437	1.7
219.17477	0.9
233.22693	1.1
243.21111	9.5
253.14322	1.0
253.15248	1.4
253.17981	20.0
259.20602	0.8
261.22159	22.4
266.59140	0.7
269.17496	1.6
271.19034	52.9
272.19461	1.6
317.24872	2.1
335.25800	61.3
336.26169	2.4
337.27368	3.0
353.26828	4.7
439.35965	1.5
457.36972	2.0
513.39563	5.6
514.36255	2.4
531.40436	52.4
532.41168	2.3
542.95715	0.8
549.41559	1.0
701.97723	0.8
879.72095	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	1.5
65.03923	2.5
67.05502	63.4
69.03441	1.3
69.06715	1.3
69.07067	17.7
71.04989	6.1
73.02915	0.9
74.91592	0.7
77.43743	0.7
79.05489	35.1
81.07053	81.4
83.04967	2.6
83.08614	11.7
85.02863	2.1
85.06521	4.5
91.03941	1.5
91.05477	28.8
92.05779	0.9
93.07038	42.8
95.04964	3.7
95.08601	71.2
97.02859	1.7
97.06532	10.0
97.10156	4.0
99.08086	3.3
105.04543	0.9
105.07027	21.0
107.07861	1.1
107.08590	20.6
109.06509	2.7
109.10143	17.6
111.08085	2.9
113.09621	1.6
114.32999	0.7
117.07026	5.4
118.39819	0.8
119.08575	22.1
121.09314	1.2
121.10136	17.2
123.08047	3.2
123.11699	5.9
125.09595	1.4
127.03885	0.8
131.08559	8.6
133.10130	16.2
135.11676	12.4
137.09583	2.1
137.13217	3.5
143.08618	1.2
145.10091	4.9
147.11699	5.3
149.13252	6.2
151.14700	0.7
151.56134	0.8
159.11696	4.8
161.13251	22.1
163.14812	3.2
171.11653	1.0
173.13234	3.0
175.14838	1.2
177.16383	2.0
179.14293	15.7
187.14862	2.5
197.15457	1.0
201.16367	0.8
243.21082	4.0
253.14180	1.1
253.15268	1.3
253.17975	21.1
261.22119	13.4
269.17642	1.1
271.19034	37.1
279.19644	0.7
279.23114	1.3
309.46204	0.8
317.24765	1.5
335.25784	100.0
336.26132	2.3
337.27274	2.3
353.26715	1.9
421.34708	0.8
439.35678	2.9
457.36633	2.9
513.39667	7.6
514.36200	1.3
531.40430	57.5
532.40674	1.4
549.41498	1.5
629.87549	0.8
824.57654	0.9
848.75696	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	67.8
65.01215	1.5
67.05501	50.8
69.03425	7.6
69.07066	10.0
70.06582	2.1
71.04993	2.5
71.59623	1.4
73.02911	23.9
79.05490	32.8
81.03414	4.8
81.07053	63.0
83.08612	7.8
85.02898	97.0
85.06547	2.2
86.09686	1.9
91.03950	75.5
91.05469	19.8
93.07033	45.4
95.04955	3.6
95.08600	48.8
97.02273	3.1
97.02882	50.0
97.06530	4.2
97.10135	3.6
99.04451	4.7
105.07018	14.3
107.08579	27.6
109.02864	2.9
109.10155	30.0
111.08081	2.2
115.03907	4.1
117.05524	2.9
117.07025	8.2
119.08569	11.6
121.10130	29.0
123.11696	16.3
127.03904	35.4
131.08557	18.9
133.10094	12.4
135.11676	25.2
137.09598	2.3
137.13243	6.3
139.11223	2.1
145.04950	50.6
145.10135	16.1
147.11690	9.3
149.13245	14.9
159.11707	8.5
161.13226	8.7
163.06003	100.0
163.14812	14.4
165.12694	2.6
173.13243	13.4
175.14787	5.3
177.12712	2.1
177.16397	5.3
179.14326	3.6
187.14819	7.1
189.16310	1.8
201.16310	3.0
204.08546	1.8
205.15848	2.0
223.17061	1.5
233.22620	4.3
239.12785	1.4
243.21071	32.7
261.22119	94.8
262.22186	2.0
263.23749	2.0
272.43448	1.7
279.23233	6.5
289.09174	1.8
325.11105	4.0
326.66589	1.5
335.25775	34.9
353.26825	71.4
434.92352	1.8
470.49216	1.8
497.30872	7.5
500.51587	1.9
508.30069	1.7
657.54095	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	11.0
61.55640	1.3
67.05502	47.7
69.03413	7.5
69.07069	14.0
69.43747	3.3
69.44153	9.9
73.02912	4.3
74.58175	1.4
79.05489	38.1
81.03409	2.8
81.07052	43.1
83.04983	4.2
83.08611	32.0
85.02906	13.3
85.06490	1.6
91.03942	11.5
91.05476	13.3
93.07034	33.3
95.04954	2.2
95.08597	27.1
97.02884	12.2
97.06534	1.4
97.10162	60.5
98.98492	1.6
99.04457	1.8
105.07041	9.4
107.07872	2.0
107.08588	33.4
107.09291	2.6
109.06532	1.7
109.10142	15.4
109.65947	1.7
111.08071	2.4
117.07036	4.4
119.08576	9.7
121.06496	1.8
121.10136	15.8
123.08106	1.6
123.11708	5.1
123.28780	1.4
125.09618	58.7
127.03915	5.3
131.08582	6.3
133.10132	6.1
135.08043	6.1
135.11687	11.0
143.10675	4.8
145.04987	6.4
145.10156	7.7
147.11668	6.6
149.13240	7.7
151.11171	1.8
153.09097	5.6
159.11687	5.1
161.13246	2.8
163.06026	5.4
163.14796	3.7
171.10118	2.1
173.13217	3.8
177.16322	1.9
187.14801	2.5
189.11203	45.1
218.89519	1.4
227.12755	79.3
243.21100	6.8
245.13834	100.0
261.22144	33.0
267.77975	1.5
279.23178	4.9
291.35724	1.4
317.24722	3.7
335.25790	96.4
336.26111	2.1
337.85492	1.6
413.30530	1.7
431.31473	1.6
487.34344	10.0
505.35202	83.7
523.36145	6.3
603.70032	1.7
844.44788	1.8
864.51758	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	868.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	8.7
61.33132	1.1
67.05499	22.2
67.62208	1.1
69.03408	2.0
69.07066	14.3
71.04982	4.0
71.08630	21.4
73.02901	2.7
75.70609	1.2
78.07729	1.3
79.05499	7.8
81.07050	44.5
83.04985	1.5
83.08622	14.5
85.02899	8.3
85.06523	2.2
85.10188	13.2
85.16086	1.2
89.06035	2.2
91.03947	8.2
91.05457	7.2
93.07021	9.5
95.08600	47.7
97.02876	6.1
97.06528	3.3
97.10156	5.6
98.21484	3.2
99.08091	2.7
105.07026	7.9
107.08584	2.2
109.10136	12.2
111.08072	2.5
117.91589	1.2
119.08584	8.6
121.10143	2.7
123.11675	3.3
133.10126	4.7
135.11676	2.9
137.13228	3.0
145.04889	1.3
156.11632	1.6
161.13245	13.4
163.05978	1.7
179.14264	12.8
239.23737	9.4
253.17941	20.8
257.24686	2.0
271.16669	1.0
271.19012	59.2
313.27353	100.0
314.27652	2.6
331.28433	11.8
340.00867	1.5
357.65707	1.3
491.40897	18.5
509.42023	70.3
510.41891	1.5
646.22229	1.3
722.87512	1.3
792.12030	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.5176
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	7.3
67.05506	2.1
69.03426	4.4
69.07072	1.2
70.73891	1.0
70.74225	0.5
71.08624	1.1
73.02919	4.7
79.05498	0.6
81.03422	2.2
81.07050	4.2
83.08616	1.5
85.02900	7.5
85.03368	0.8
85.10163	0.7
87.04466	0.8
91.03960	5.1
93.07066	1.0
95.08606	3.9
97.10193	0.6
99.04454	1.4
101.02350	2.6
103.03943	0.8
109.02888	1.0
109.10172	1.0
115.03932	0.5
119.08530	1.2
127.03895	3.5
133.10165	0.9
145.04941	0.6
161.13226	1.2
163.61131	0.5
185.04295	2.0
203.05339	1.1
243.08382	2.4
276.93765	0.5
313.27402	1.1
325.54340	0.5
347.09482	4.8
363.08896	0.9
365.10678	1.7
372.34113	0.5
405.13605	8.8
455.22476	10.7
497.30817	5.7
617.27734	13.3
659.36145	5.5
706.44336	0.6
711.46350	2.1
873.51740	100.0
874.51923	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	856.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
60.67336	1.6
61.02924	43.1
65.03971	2.0
67.05502	54.9
69.03416	7.4
69.07055	10.3
70.06570	1.9
71.04977	4.2
71.59839	2.9
72.38532	1.6
73.02917	13.7
79.05048	2.7
79.05487	31.3
81.03409	3.4
81.07051	69.3
83.08613	5.6
85.02898	59.6
85.03427	2.2
85.06528	3.3
87.04429	1.9
91.03945	53.6
91.05466	18.4
93.07036	44.8
95.04982	2.1
95.08602	52.4
97.02890	30.0
97.06490	1.9
97.10169	4.6
99.04437	2.3
99.08104	2.5
103.03925	3.2
105.07029	13.3
107.08591	32.2
109.10150	33.9
111.08093	2.1
115.03943	2.8
117.07003	6.8
119.08567	14.4
121.10138	33.1
122.36510	1.6
123.11721	19.0
127.03917	24.1
131.08572	17.5
133.10126	11.4
135.11681	26.3
137.13225	6.8
141.29153	1.6
145.04955	28.6
145.10117	13.6
147.11687	12.2
149.13261	18.8
149.92387	1.7
151.11151	1.7
157.37885	1.7
157.39384	1.5
159.11731	10.1
161.13213	8.2
163.06001	68.2
163.14830	13.4
165.12701	4.1
173.13248	18.1
175.14796	3.8
177.16397	7.4
179.14287	3.6
187.14824	13.1
191.14259	2.0
201.16440	2.2
229.14403	1.8
233.22557	2.4
243.21060	43.7
261.22131	100.0
279.23129	4.6
325.11124	2.4
335.21951	3.1
335.25772	36.8
353.26855	80.0
369.24356	2.1
410.88898	1.9
497.31021	10.7
527.50427	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	27.5
65.03936	5.3
67.05500	87.3
69.03422	38.1
69.07067	22.5
69.63486	12.4
71.01357	3.2
71.04985	13.5
73.02913	13.7
79.05488	63.3
79.87463	1.8
81.03411	38.8
81.07052	100.0
82.06583	5.2
83.04992	11.4
83.08617	14.9
85.02901	52.5
85.06522	5.6
87.04477	3.1
89.06020	3.4
91.03950	14.5
91.05471	54.7
93.07034	66.2
95.04960	15.2
95.08601	89.7
97.02885	54.6
97.06514	11.0
97.10207	4.1
98.20743	3.8
99.04446	12.1
99.08086	7.7
101.02361	6.5
102.42374	2.2
103.03936	5.9
105.06380	3.0
105.07034	37.2
107.04984	2.2
107.08577	23.1
109.02872	17.0
109.06521	5.6
109.10155	20.9
111.04435	5.4
111.08073	5.0
113.06012	2.6
117.07003	14.2
119.08573	36.6
121.06535	2.9
121.10136	27.4
123.08055	6.6
123.11711	6.1
127.03897	31.0
129.05487	10.0
129.06975	5.8
131.08562	15.6
133.06429	2.2
133.10114	23.7
135.11687	25.4
137.09599	5.9
137.13249	6.5
143.08569	2.6
145.04951	8.2
145.10127	13.5
147.11671	8.5
147.12825	2.0
149.13229	7.2
151.07607	2.2
159.11714	10.3
161.09612	2.5
161.13245	38.0
161.14565	2.4
163.14847	2.8
163.61723	2.2
165.05521	2.5
169.10037	3.0
171.11665	2.7
173.13275	8.9
175.14890	3.1
177.12793	3.5
179.14320	30.8
183.06516	4.4
185.13168	3.1
187.14790	2.3
197.15428	3.7
201.07559	8.2
221.15424	2.6
235.01970	2.0
243.21118	5.3
253.17932	20.6
259.20605	4.8
261.22125	17.9
271.18909	19.7
303.23349	2.3
305.17529	4.4
335.25745	52.9
361.19672	2.3
369.24405	5.5
379.21158	4.4
387.25516	2.8
397.22208	6.9
415.23199	11.0
443.27747	3.5
457.36929	2.5
461.29071	3.1
479.30127	15.1
513.39355	7.9
531.40277	30.6
639.42206	3.1
657.44696	3.3
675.44586	3.5
794.38208	2.6
855.53540	4.9
884.74304	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	853.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	6.4
62.19287	0.5
67.05504	5.9
69.03421	5.8
71.01347	0.6
71.04977	0.9
71.18649	1.1
73.02917	6.2
79.05488	2.6
81.03428	2.0
81.07049	4.0
83.08611	0.7
85.02900	8.0
87.04485	0.8
91.03951	5.1
91.05486	1.6
93.07007	3.6
94.70171	0.5
95.04927	0.9
95.08613	3.2
97.02887	6.7
99.04469	1.8
101.02382	2.4
105.07028	1.1
107.08602	1.2
109.02883	1.2
109.10142	3.4
115.03885	0.8
119.08604	1.3
121.10135	1.0
127.03936	2.9
131.08519	0.9
135.11714	0.9
147.17732	0.6
166.06703	0.5
168.51756	0.6
173.11794	0.7
180.63622	0.5
185.04259	0.9
203.05266	1.3
228.96683	0.7
229.14403	1.2
231.10760	0.7
243.08484	1.8
305.08414	0.7
335.25830	0.7
347.09509	2.9
365.10602	1.6
405.13690	7.9
408.01901	0.7
409.21808	0.7
413.17773	5.1
519.29297	5.3
575.23126	7.0
681.34253	8.9
691.40344	2.0
826.03815	0.7
853.45508	100.0
854.45856	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	853.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	7.3
65.39037	0.5
67.05502	6.5
69.03432	5.1
69.07076	0.4
70.51949	0.5
70.78308	1.3
71.01360	0.6
73.02911	5.3
79.05495	1.8
81.03427	2.2
81.07055	2.3
85.02908	6.3
91.03967	4.4
91.05458	1.4
93.07056	1.6
95.08610	2.6
97.02884	7.1
99.04448	1.1
101.02395	2.3
103.03944	0.6
107.08612	0.8
108.64935	0.5
109.02884	1.2
109.10150	6.4
115.03939	0.6
119.08585	0.6
121.10191	0.5
127.03930	1.9
127.14386	0.6
131.08565	0.5
133.10190	0.5
137.09708	0.5
145.04938	0.9
173.11810	1.2
185.04268	0.8
195.09949	0.7
195.11765	0.5
203.05307	1.0
229.14444	1.5
231.10770	0.7
243.08507	1.8
251.12712	0.6
301.20215	0.8
347.09421	4.3
363.09143	1.4
365.10635	1.7
405.13718	8.1
413.17776	7.7
413.22961	0.5
485.20221	0.6
519.29218	3.3
575.23035	12.6
681.34467	5.8
682.34546	0.6
691.40424	1.6
853.45508	100.0
854.45935	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	851.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05431	0.7
68.02354	0.2
69.83710	0.4
69.84119	0.9
70.06525	0.7
79.05454	0.5
81.07024	0.5
83.08556	0.3
86.09636	0.9
91.05428	0.4
93.06938	0.6
95.04935	0.4
95.08566	0.5
105.06934	0.3
106.07262	0.2
107.66611	0.2
118.06458	0.4
120.07997	0.4
121.10068	0.3
132.08020	0.3
144.07986	0.2
152.39528	0.2
155.00919	0.2
185.06097	0.3
192.13739	0.4
207.07533	0.3
210.14847	0.5
230.15370	0.4
248.16412	0.4
274.14209	0.7
291.16913	0.4
335.25891	0.7
337.17502	0.5
337.27206	0.2
350.16269	0.3
374.16068	0.3
386.15604	0.3
388.18027	0.5
390.19443	0.3
399.15918	0.8
400.17075	1.2
401.17657	1.5
402.19247	0.3
403.19510	0.3
404.21011	0.7
412.17288	0.3
413.17484	1.4
414.18353	2.3
415.19235	5.3
416.19623	0.6
417.20920	0.5
425.18103	0.4
426.18814	0.4
427.19354	2.5
428.20190	1.7
429.20825	7.9
430.21887	3.7
431.17932	0.4
433.23709	0.7
440.20660	0.3
441.21487	1.4
442.21866	2.0
443.22803	3.2
444.23383	3.9
445.19418	0.5
447.18787	0.2
455.18536	0.5
456.19418	0.6
457.24619	4.8
458.25372	1.6
459.21243	3.8
460.22507	0.9
461.23331	0.7
462.20267	0.3
469.24313	0.4
470.21225	0.9
471.18097	1.1
472.22797	3.0
474.21133	0.2
475.25452	1.3
476.21704	0.5
483.18353	0.3
484.18903	0.4
485.23526	17.4
486.19766	3.4
487.25745	2.1
488.22491	0.4
489.22919	2.1
490.20163	0.4
497.23331	1.2
498.20514	0.3
499.21307	1.1
500.22021	2.6
503.24484	2.6
504.21255	1.1
513.22961	2.1
515.24408	14.7
516.24634	0.5
531.23914	33.1
532.24103	1.6
532.73627	0.3
541.22461	1.7
544.20953	0.5
559.14600	0.5
559.23395	10.9
560.23883	0.5
591.26001	100.0
592.26154	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	852.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37354	0.7
69.03419	1.0
69.46605	7.0
70.06590	3.7
70.21053	0.9
78.04730	1.1
79.05483	3.4
81.03439	0.9
81.07072	1.2
86.09711	2.6
91.00253	0.8
91.05476	2.5
93.07066	1.4
95.04951	1.1
95.08604	1.0
98.20688	1.3
103.05437	1.2
105.07037	1.9
107.04956	14.0
115.05457	1.6
117.07034	0.8
119.04940	0.8
120.08044	0.8
121.06469	0.8
123.04411	2.8
124.05179	2.8
128.06252	1.2
129.07019	1.0
133.06465	3.4
134.99649	0.7
135.93494	0.8
137.05959	0.9
141.07005	2.2
141.10170	0.8
143.08646	0.9
145.06474	1.5
147.04399	1.0
149.05931	1.0
152.04651	1.2
156.05585	0.9
157.06456	0.9
158.07280	1.5
159.09276	0.9
161.05988	3.1
161.84686	0.7
162.40823	0.8
167.07028	52.5
168.07378	0.9
169.77699	0.7
170.07277	6.9
171.07967	1.1
173.05952	2.1
175.07631	0.9
177.05486	1.4
179.07048	4.1
181.08519	5.2
186.06732	2.9
187.07475	1.1
188.08339	1.2
191.07013	3.4
191.08527	1.1
193.08604	2.0
198.06783	3.0
199.07518	1.1
200.08295	1.6
201.09100	3.2
203.08727	0.9
203.10625	1.5
205.06734	0.9
205.08617	2.4
209.08119	1.4
216.07774	2.1
217.08487	2.2
219.07985	2.5
219.09999	1.0
220.08810	2.1
229.08548	5.0
231.08046	4.1
231.10124	30.4
232.08711	1.4
233.09557	4.0
234.06746	1.4
235.11241	1.2
236.04655	1.1
245.09685	1.5
246.06766	1.1
247.07518	6.5
248.08344	6.0
249.09128	1.9
250.06334	1.4
259.07544	2.2
261.09134	2.8
262.09937	3.5
263.07108	0.8
263.10623	5.5
264.07870	1.2
265.08527	3.0
271.10162	0.8
275.07077	3.3
276.07758	5.3
277.08582	3.5
278.09332	1.3
279.10202	2.2
280.10599	1.0
287.07031	1.1
290.09308	3.4
291.10031	6.9
292.07349	2.8
292.10712	1.5
293.08188	6.4
293.11523	1.5
294.08774	1.8
305.08102	2.4
305.11630	0.9
307.09528	4.9
308.06763	0.8
308.10443	2.6
309.11191	1.7
315.08618	2.3
319.09564	4.6
320.06851	1.7
320.10458	1.1
321.07434	3.0
321.11209	2.1
322.08398	1.8
322.11887	1.7
323.09280	0.9
323.12775	4.1
330.10931	3.2
335.12735	0.9
336.09924	4.6
337.10745	4.7
338.07813	1.7
350.11298	1.4
351.12271	8.9
352.12891	1.2
353.10071	7.0
353.13864	1.2
358.47913	0.8
368.12482	11.9
383.14859	100.0
384.15695	1.7
385.16418	39.3
401.16202	1.5
473.05215	0.9
490.06888	0.8
519.41302	0.9
593.23718	9.6
788.81281	0.9
884.28760	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
60.51923	0.6
65.03944	6.4
67.05493	0.7
69.03444	0.7
69.07040	0.9
70.06592	25.8
71.08615	3.9
71.11571	1.0
71.11906	1.1
72.08160	0.9
81.07037	1.1
82.32546	0.6
85.10174	1.2
86.09700	0.7
88.07628	33.7
91.05457	0.6
95.04974	1.2
95.08633	1.4
97.02876	0.6
97.20871	0.5
98.23907	0.6
102.09178	25.2
105.27029	0.7
115.67278	0.5
121.02828	2.5
121.10203	0.6
131.04965	0.8
133.02887	0.7
134.85818	0.6
139.03912	3.7
141.03076	0.5
147.04416	1.5
149.02342	98.9
149.03394	4.7
150.02618	1.0
175.03929	2.6
177.05501	2.7
186.72058	0.6
191.07039	1.0
193.04962	57.7
200.27911	0.6
212.23752	1.1
219.06526	2.1
234.91389	0.7
237.07581	14.0
256.26349	87.1
257.26752	1.4
269.04544	1.1
297.03842	1.3
300.29025	1.1
310.23706	0.7
313.06979	0.8
341.06577	3.8
343.08173	1.7
359.07645	1.4
385.09146	7.7
411.10834	0.9
429.11816	2.2
533.10828	1.2
577.13403	10.0
621.16040	17.8
640.34979	1.0
806.53931	2.1
832.38733	2.7
839.57227	0.7
850.40070	100.0
850.54486	3.8
851.40485	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	850.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99944	0.3
59.99170	0.3
61.02901	0.7
65.03915	0.5
67.05473	0.6
69.03418	2.1
69.53304	2.4
70.06544	1.4
73.67868	0.3
77.03885	0.3
79.05457	1.0
80.04974	1.0
81.03362	1.2
81.05773	0.4
81.06996	0.5
82.06567	1.6
84.04453	0.3
84.08119	0.5
85.02904	4.0
86.09648	0.5
89.03916	0.4
91.05427	0.9
93.05745	0.5
93.07040	1.9
94.06561	3.9
95.04945	0.8
95.07304	1.3
95.08530	0.3
95.58365	0.3
96.08121	7.7
97.02897	1.9
97.06489	0.5
98.05979	0.7
103.05412	0.4
106.06500	1.3
107.07272	0.4
108.04469	9.6
108.08109	7.5
109.02834	0.7
110.06009	0.3
110.09007	0.5
110.09671	6.7
111.04343	0.3
116.04986	2.1
118.06503	0.7
120.04433	0.6
120.08105	5.7
121.06466	0.5
121.10149	0.4
122.05176	0.4
122.06017	7.1
122.09618	0.5
124.07583	27.4
127.03846	1.1
134.05949	0.4
136.07564	7.9
138.09128	13.1
140.07039	1.6
144.04430	3.4
145.02823	0.4
145.04938	0.5
146.05998	10.8
147.04352	0.4
148.03902	0.4
148.07558	3.8
149.05919	0.4
150.05499	2.0
150.09146	0.3
152.07047	4.9
160.02757	0.3
160.03949	3.5
161.05890	0.4
162.05446	1.3
162.15649	0.3
163.03860	0.8
166.08630	12.7
167.08977	0.5
168.06548	13.9
172.03918	21.0
173.04561	0.8
174.04111	0.5
174.05504	7.9
178.04993	0.6
180.08751	0.6
181.08646	0.5
186.05438	0.5
190.04979	36.5
191.05707	1.5
192.06575	1.5
197.84579	0.3
204.06544	23.5
206.08110	8.2
209.08015	0.9
209.10680	0.5
212.09241	0.5
221.10732	0.5
223.12241	1.2
225.10187	0.8
226.10895	0.4
236.09354	1.3
237.10181	0.8
238.10901	0.5
239.11667	0.4
240.08702	0.4
248.05522	0.5
249.10229	0.6
250.10989	0.8
251.11816	3.5
252.08928	1.4
253.09641	0.5
253.13240	0.7
255.11182	0.4
264.08926	1.5
265.09689	0.4
266.09976	0.4
267.11252	1.2
269.09268	0.3
269.12784	0.4
278.10556	0.8
279.11227	6.4
281.09149	0.9
283.10547	0.4
287.10196	1.1
293.09158	0.3
294.09610	0.4
295.10992	1.5
296.11505	0.8
297.12308	14.7
299.10303	2.0
307.10757	6.0
311.10187	1.0
313.11850	3.5
315.13315	0.7
323.10202	5.9
325.11798	61.1
326.12064	1.2
329.11279	2.5
339.09521	0.4
339.13376	0.9
340.09714	0.3
341.11252	4.4
343.12863	16.8
344.13101	0.5
357.14307	0.6
359.12274	2.5
360.12402	0.4
361.13660	1.3
373.13910	6.2
378.05780	0.3
448.18512	0.6
450.19839	0.5
452.18112	1.5
466.19644	1.1
476.18094	2.7
480.21228	0.5
492.17401	0.7
493.17923	1.2
494.19183	100.0
495.19312	1.5
508.20844	4.8
512.20239	16.3
524.20178	0.3
525.20288	0.8
526.21783	33.8
527.22583	0.7
638.23395	0.5
656.24188	0.6
782.27429	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.91378	0.4
61.02911	0.4
67.05498	0.6
69.03425	1.4
70.06606	2.6
70.17366	0.3
71.04991	0.6
71.59258	0.6
79.05489	1.5
80.05022	1.1
81.03411	1.0
81.07036	0.7
82.06585	1.8
85.02914	3.9
86.09718	0.7
91.05490	1.1
93.07056	2.0
94.06562	3.3
95.05022	0.4
95.07368	1.5
96.08134	7.1
96.08669	0.3
97.02901	1.7
97.06551	0.7
103.05470	0.7
105.07013	0.6
106.06564	1.3
107.07348	0.7
108.04488	2.1
108.08126	7.0
109.02856	0.9
110.05994	0.5
110.09691	8.7
116.04961	2.3
120.04484	0.7
120.08121	6.5
120.08922	0.6
122.06030	5.8
122.09698	0.5
123.06819	0.5
124.07594	24.6
125.72112	0.4
127.03908	1.1
129.10306	0.7
129.98830	0.4
132.04433	0.5
133.01970	0.4
134.06027	0.5
136.07584	7.0
137.06001	0.4
138.09143	12.7
140.07104	0.7
144.04440	5.0
146.05998	6.0
148.07565	3.4
150.05518	1.4
150.09114	0.7
152.07054	4.4
160.03961	4.0
162.05507	1.5
163.03973	1.0
166.08644	23.6
167.08951	0.6
168.06548	3.6
170.68866	0.4
172.03941	17.6
174.05539	4.7
178.04980	1.3
186.05519	0.5
190.04994	34.4
191.05745	1.0
191.08339	0.4
192.06573	0.7
204.06569	20.4
206.08112	2.9
211.12343	0.5
223.12323	1.4
225.10190	0.9
227.11909	0.7
234.09215	0.5
236.09421	0.9
237.02704	0.5
239.11824	0.7
241.09738	0.6
251.11838	2.2
252.08951	0.9
253.09706	1.6
253.13585	0.6
255.11372	0.9
264.08960	1.8
265.09613	0.6
267.11389	1.3
268.09479	0.5
269.09171	0.6
279.11237	5.4
281.09244	3.2
283.10779	1.0
285.12390	0.9
287.10275	3.3
295.10791	2.1
296.11533	0.9
297.12354	11.2
298.30286	0.4
299.10287	4.9
301.11731	0.8
307.10760	3.1
311.10400	1.2
313.11798	1.8
315.13428	0.5
323.10291	6.6
324.10690	0.5
325.11835	45.2
326.12228	0.7
329.11322	11.5
329.14496	0.5
341.11270	6.7
343.12900	11.8
357.14514	1.7
361.14029	3.6
373.14035	2.4
448.18832	1.0
450.20593	0.7
452.18320	2.7
466.19510	0.8
476.18219	4.5
480.21164	0.7
487.17133	2.0
494.19244	100.0
495.19507	2.6
508.20734	5.2
512.20276	3.8
526.21820	18.7
638.23438	0.8
656.24463	1.5
670.25861	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	3.0
61.02922	15.4
65.03944	2.2
67.05501	97.3
68.05836	0.5
69.03426	3.3
69.07063	6.8
71.04987	3.6
71.08650	0.4
73.02918	4.0
79.05488	18.1
79.05959	0.9
81.03412	1.4
81.07052	33.6
83.05003	1.1
83.08614	6.8
85.02901	17.2
85.03417	0.8
85.06543	2.9
87.04479	0.7
91.03954	11.8
91.05473	12.1
93.07040	23.7
95.04958	2.7
95.05453	0.3
95.08599	25.0
96.04507	0.4
97.02888	10.6
97.06526	1.1
97.10163	1.8
98.20683	0.6
99.04464	1.0
99.08103	0.9
101.02345	0.4
105.07018	7.4
107.08588	12.4
109.02883	1.0
109.06509	0.9
109.10149	75.2
110.10478	1.1
111.08076	3.2
112.70290	0.3
113.06054	0.5
115.03927	1.0
117.06992	3.0
119.08572	9.9
121.10136	10.1
123.08005	0.6
123.11699	3.7
125.09624	1.4
127.03921	5.0
131.08562	6.0
133.10127	4.3
135.11687	6.5
137.09625	3.1
137.13258	1.5
139.11115	0.6
143.08546	0.5
143.51910	0.4
145.04953	5.1
145.10112	4.0
147.11659	3.7
149.13258	4.4
155.10648	3.8
159.11684	3.8
161.13243	2.7
163.06013	5.6
163.14795	2.5
173.11754	22.9
173.13258	3.5
174.13680	0.4
175.14833	1.2
177.16373	1.3
180.08585	0.6
187.14803	1.8
189.11182	0.9
201.16309	0.5
213.14874	0.6
219.17339	0.4
227.12778	6.5
229.14340	100.0
230.14682	0.8
233.22787	0.6
241.19548	0.4
243.21077	6.3
248.16042	0.4
261.22125	18.0
279.23114	0.6
317.24789	2.9
335.25781	64.1
336.26184	1.6
353.26566	0.5
379.29947	1.0
397.31030	2.0
412.92267	0.5
415.32001	2.0
433.33340	0.5
471.34659	2.0
489.35730	43.9
490.35776	0.8
505.15286	0.4
507.36945	5.5
619.52527	0.4
640.23853	0.4
665.84729	0.4
764.45319	0.4
833.94727	0.4
848.49335	2.0
855.71893	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05008	2.5
61.02926	10.7
65.03935	2.1
67.05506	90.8
69.03435	2.3
69.07073	6.1
69.47430	4.6
71.04993	4.4
71.08620	0.5
72.49570	0.5
73.02930	3.7
73.06973	0.5
79.05494	17.2
79.05961	0.9
81.03427	1.3
81.07057	37.5
82.07407	0.6
83.04986	1.4
83.08624	7.6
85.02909	14.9
85.06538	3.2
91.03956	10.8
91.05473	13.0
93.07047	25.1
95.04964	1.9
95.08606	25.4
97.02898	9.1
97.06548	1.3
97.10162	1.7
99.04453	0.9
99.08114	1.1
103.03940	0.6
105.07017	6.2
107.08598	14.0
109.02899	0.8
109.06553	0.8
109.10158	74.3
110.10490	0.9
111.08086	3.4
117.07005	3.2
119.08594	11.1
121.10142	12.4
123.11700	3.3
125.09652	1.3
127.03913	3.5
127.11220	0.7
130.00209	0.5
131.08559	6.6
133.10141	5.1
135.11702	8.2
137.09579	3.1
137.13271	1.5
144.06601	0.8
145.04965	5.3
145.10135	4.9
147.11710	3.9
149.13251	5.3
155.10617	3.6
159.11679	3.7
161.13261	3.2
163.06024	6.1
163.14833	2.8
168.40491	0.6
173.11781	18.6
173.13281	4.0
175.14809	1.5
177.12753	0.6
177.16408	0.8
185.13322	0.6
187.14806	2.4
189.11276	1.9
201.16429	1.0
227.12796	6.0
229.14355	100.0
230.14708	2.1
233.22617	1.1
243.21098	6.5
261.22134	23.9
299.23746	1.0
317.24744	4.2
335.25803	86.3
336.26059	2.6
379.30066	1.1
397.31009	2.2
415.31976	1.4
471.34903	2.6
489.35754	87.8
490.35983	3.9
507.36880	7.6
738.83942	0.6
848.48035	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27966	3.9
69.28385	7.7
69.98127	1.1
142.69614	1.0
149.80254	1.0
151.06149	1.1
179.72655	1.1
196.80220	1.0
224.78201	1.0
460.02493	1.1
647.25830	1.2
845.48035	100.0
846.47595	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	846.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82680	0.4
61.02923	1.5
65.03933	0.4
67.05503	0.7
69.03423	5.0
70.06580	3.5
71.04973	0.9
71.59367	0.5
72.08141	0.6
73.02926	0.7
79.05499	1.1
80.05019	1.0
81.03410	2.5
81.07055	0.8
83.13953	0.5
84.04525	0.7
84.08146	0.7
85.02901	4.9
86.09691	1.1
87.04455	0.9
89.35665	0.4
91.05482	1.8
93.07040	1.5
94.06573	4.2
95.04948	1.1
95.07348	1.2
95.08652	0.5
96.08115	3.1
97.02908	2.2
97.03450	0.4
99.04449	1.3
101.06014	0.7
103.05458	0.8
105.05775	0.5
105.07026	0.8
106.06554	0.9
107.07334	1.6
108.04478	0.6
108.08105	6.5
109.02912	1.3
110.05993	0.7
110.09688	7.1
118.06543	0.6
119.08614	0.6
120.04484	2.1
120.08099	7.0
121.06503	0.6
122.06023	5.8
122.09651	5.0
124.07584	0.9
127.03927	1.5
132.08073	0.6
134.05956	1.2
134.09709	0.6
136.07567	12.3
137.05975	1.4
137.08289	0.5
138.05493	1.1
138.09131	9.5
144.08156	0.5
146.05983	1.2
147.08032	0.5
148.07568	6.0
150.09148	9.9
150.10315	0.7
152.07037	1.0
152.10725	0.6
158.05977	0.6
160.03951	0.5
162.05438	0.5
162.09175	0.7
164.07100	1.6
166.08633	18.7
167.06990	1.2
172.03995	0.8
174.05553	1.7
176.07101	0.7
176.10713	0.5
177.05487	0.6
180.10236	1.3
184.09923	0.6
185.10735	0.5
188.07028	0.8
190.05093	0.9
193.05023	0.6
195.09344	0.9
197.10789	1.1
201.42422	0.5
204.06488	1.1
207.06610	0.6
208.09813	0.6
209.10764	2.0
210.11430	0.6
211.08525	0.6
211.12363	1.4
213.10283	0.7
220.10046	0.7
221.10652	1.0
223.08723	1.5
223.12408	1.4
224.09448	1.1
225.10191	6.8
226.11076	2.2
227.11755	3.2
232.06036	0.6
233.10727	0.8
235.08615	2.2
235.12315	0.9
236.09451	2.5
237.10193	13.5
237.12354	0.7
238.10927	3.0
239.08141	1.2
239.11783	8.6
239.14148	0.7
240.08844	0.6
240.12576	1.2
241.09763	1.5
241.13344	0.5
247.08656	1.0
248.09390	2.7
249.10194	9.1
250.10994	3.9
251.08159	5.1
251.11813	10.6
252.08879	1.8
252.12592	3.7
253.09729	6.8
253.13286	2.4
254.10585	1.4
255.11209	5.3
256.11935	0.6
261.10220	5.4
262.10992	1.5
263.08826	0.8
263.11813	7.3
263.14465	0.7
264.09000	1.9
264.12674	1.7
265.09714	15.8
265.13324	2.4
266.10559	3.1
266.14160	0.7
266.94699	0.5
267.11288	15.8
268.11917	1.0
269.09192	1.1
269.12900	1.0
270.10321	0.6
271.10846	1.4
275.08206	0.7
275.11917	0.6
276.09045	1.6
277.09702	6.8
278.10519	5.9
279.07776	4.2
279.11362	19.8
279.14355	1.0
280.08795	1.1
280.12064	3.7
281.09299	3.8
281.12903	5.7
282.10086	1.3
282.13345	0.9
283.10815	3.2
283.13907	0.7
285.12451	1.9
287.14008	1.9
289.09705	6.8
290.10291	0.5
291.11224	4.9
292.08582	0.8
292.12027	0.9
293.09268	6.6
293.12900	6.9
294.09988	4.9
294.13147	0.9
295.10864	5.2
295.14478	2.2
296.11508	2.8
297.09073	1.1
297.12430	4.8
299.13986	1.3
305.09280	1.8
306.09781	1.2
307.10773	5.7
307.14178	0.7
308.11566	1.7
309.08871	0.9
309.12274	10.5
310.13123	1.0
311.10352	3.1
311.14011	4.7
312.11169	1.5
313.11746	2.6
314.12759	0.9
317.09134	3.0
319.10828	1.6
321.08917	0.9
321.12476	2.1
322.09509	0.6
323.10449	0.9
323.13916	1.4
324.11136	1.5
325.11819	7.7
325.15439	0.8
326.12723	2.9
327.13370	6.4
328.14410	1.1
329.15039	2.0
330.15945	1.2
335.10129	4.5
336.10764	0.7
337.11734	8.2
339.13376	18.2
340.14145	1.3
341.14929	6.2
342.16013	0.8
344.17538	0.7
349.11945	0.7
353.11365	2.1
354.16162	1.0
355.13062	2.4
356.13855	1.1
356.17801	0.9
357.14590	1.7
358.15295	0.8
364.10220	0.9
367.12970	3.7
368.13547	0.8
369.14575	2.8
370.15308	1.1
371.16132	2.7
372.17188	1.0
373.17856	0.6
381.14526	3.3
382.15390	1.4
383.16226	3.1
384.17365	0.8
385.13635	1.1
386.18896	0.7
393.14694	2.9
395.16223	3.3
396.17105	0.7
397.13892	1.7
397.18210	0.9
398.14755	1.3
399.15631	2.1
400.16464	2.1
401.17435	0.6
402.18073	0.8
409.14041	1.5
410.14777	1.1
411.15372	5.2
412.16418	1.1
413.17102	5.1
414.18201	1.7
415.18985	0.6
417.16690	0.9
418.17383	0.6
421.14005	4.5
423.15820	1.9
425.17175	12.7
426.18304	0.7
427.14316	0.8
427.19519	1.0
428.15961	0.8
429.16895	1.4
432.19217	1.0
434.20920	0.9
439.14853	5.8
441.16522	4.1
442.17801	1.8
443.18805	0.8
444.19913	1.1
445.16245	1.1
453.16687	4.0
455.14508	1.5
457.15994	2.9
458.16812	1.5
459.17654	5.3
460.18301	2.3
462.20432	1.7
467.14502	8.5
469.16306	1.4
470.17151	0.7
471.17676	12.6
473.15796	2.8
479.20892	0.6
485.15320	6.9
486.16394	1.4
487.17117	7.0
488.18506	1.8
490.19366	2.6
492.21332	0.9
499.17078	5.6
510.65329	0.5
518.23041	1.1
519.19659	0.9
520.21082	1.2
546.22302	1.5
548.23859	1.0
560.23950	0.9
564.23291	1.4
574.21655	2.4
576.23761	0.9
578.24786	1.5
580.26819	0.7
592.22864	3.8
602.21582	1.4
604.22992	1.6
606.24420	1.1
610.24103	1.7
620.22333	20.0
621.23065	0.8
624.25195	2.3
629.19525	0.6
634.23926	1.4
638.23395	5.3
652.24896	22.5
653.25299	1.0
682.25824	0.6
684.27576	3.8
742.31244	1.1
754.28265	1.3
768.29327	1.2
782.27600	11.9
783.28632	0.6
786.30603	0.8
796.28973	1.4
814.30206	100.0
815.30377	4.1
846.32697	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	843.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92933	0.8
70.06583	1.3
71.59479	1.2
75.13475	0.8
79.05495	10.3
85.02887	1.3
89.03918	0.9
91.05477	6.9
93.07046	1.6
95.04962	4.4
97.02870	0.9
103.05461	19.4
105.07027	73.8
107.04953	7.3
111.03236	0.8
115.05448	15.6
118.04160	5.8
119.04974	0.9
121.06517	3.0
131.04933	10.2
132.05692	1.2
133.06485	71.0
134.03671	1.1
134.06883	1.3
136.22736	0.8
137.06003	1.3
143.04938	1.4
143.06030	3.6
147.04425	1.1
148.05188	3.9
149.05954	7.5
159.04439	2.4
161.05977	100.0
162.06367	0.8
163.03967	1.3
163.07568	6.6
167.07033	2.8
173.05914	1.0
176.04442	13.6
176.05843	1.3
177.05444	10.7
179.07028	2.1
184.04919	3.3
185.05782	2.7
187.07213	0.9
191.07028	23.9
193.08598	33.3
194.05710	1.3
201.38036	0.9
205.04781	1.7
209.08051	6.6
215.06778	18.0
227.09409	1.1
229.24257	1.1
230.05510	1.6
231.06255	5.2
232.07187	1.0
235.41086	1.0
237.57216	0.9
256.66125	0.8
275.08911	1.5
312.33340	1.0
349.45551	0.9
381.12653	1.3
440.14465	6.0
441.15192	76.4
442.15039	1.0
443.13046	0.9
456.13766	2.0
459.70096	1.0
600.26294	0.9
633.23041	27.0
635.24585	1.3
727.70178	1.1
843.31409	26.2
861.58075	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.331
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	1.6
69.07080	1.6
70.06593	0.6
70.12490	1.7
70.12910	0.8
71.95255	0.9
73.68896	0.5
79.05472	2.8
81.06567	1.1
81.07051	19.0
84.96030	7.6
87.43027	0.5
93.07030	0.5
95.04964	0.6
95.08602	4.4
97.96803	1.4
98.97577	67.1
102.97085	1.3
110.97571	4.6
112.99116	8.6
115.97833	1.2
116.14156	0.5
116.98613	50.7
119.04938	0.5
128.98590	9.7
129.69481	0.5
130.99176	1.1
131.00162	21.3
133.01717	0.6
133.98846	0.6
134.29350	0.5
134.99651	27.7
137.13266	1.2
140.00195	2.6
140.98643	1.6
142.96500	1.2
143.00156	2.4
144.98099	3.3
146.99643	9.4
149.01212	20.1
153.00696	2.8
154.01781	1.3
156.98047	0.6
158.01291	1.5
158.99648	29.8
160.00015	0.5
160.97545	2.2
161.01222	4.0
162.99152	5.4
165.00688	2.0
167.02287	2.0
170.99631	4.5
172.02811	1.0
172.99663	0.7
172.99983	0.3
173.01208	22.1
174.99138	4.1
177.00702	43.7
178.98624	0.8
179.02234	0.6
181.00282	0.7
181.01750	0.7
182.01247	0.7
182.99568	0.9
184.97603	1.2
185.01085	1.0
186.99213	1.1
187.02625	0.5
189.00703	5.8
191.02257	25.2
193.00224	2.0
195.01788	4.8
198.99226	0.5
199.02736	0.7
200.02327	2.4
201.00703	8.1
202.98616	6.6
203.02290	1.9
205.00182	1.4
207.01814	1.5
209.03346	1.5
211.01180	0.6
211.10068	1.5
212.02341	0.5
213.00668	0.5
214.03914	1.9
214.95453	1.0
215.02324	0.6
217.00253	2.1
219.01750	19.3
220.99702	1.4
229.11148	1.6
231.01738	1.0
232.96330	1.0
233.03345	0.6
235.01292	1.8
235.09958	0.9
237.02803	31.6
242.03325	1.1
244.99689	6.8
247.01157	0.6
249.02708	0.8
253.02301	4.2
253.11166	5.3
255.03876	3.1
260.04462	1.5
261.02707	2.4
263.00797	1.8
265.11200	0.8
271.03598	0.6
271.12280	0.9
277.02271	1.9
279.03928	1.0
286.02499	0.6
287.00714	0.6
295.03375	1.3
295.12186	1.7
303.03912	0.6
305.01846	1.5
307.12076	0.5
321.01208	0.7
321.04889	0.6
323.02905	2.4
329.01791	0.8
339.02472	0.6
343.13809	0.5
347.02722	0.6
355.14249	39.4
356.14688	1.3
363.11377	0.5
373.15323	36.9
374.15717	1.1
396.16867	1.9
397.15320	100.0
398.15497	2.8
407.05048	1.1
415.16385	27.5
433.02798	0.8
441.14319	49.3
442.14569	2.1
451.03970	1.1
467.07013	0.5
471.12311	0.6
491.26822	1.3
511.05988	1.3
525.16766	0.6
571.08002	1.2
625.11169	1.3
722.78082	0.5
843.40466	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	843.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
60.26187	0.6
65.03931	0.7
67.05483	0.7
68.98761	0.6
70.06576	1.2
71.59863	0.7
77.03932	1.0
79.05490	9.8
87.16450	0.8
90.04675	1.7
91.05476	5.6
93.07036	1.0
95.04442	0.7
95.04974	4.2
103.05453	16.5
105.07023	75.0
106.07323	0.8
107.04959	6.5
115.04683	1.2
115.05448	16.3
118.04149	6.9
121.06488	2.8
121.09131	0.8
131.04924	9.2
133.06482	73.6
134.03674	1.0
135.04456	1.3
143.05023	1.2
143.06026	4.0
147.04417	1.0
148.05165	3.3
149.05984	5.9
159.04370	1.5
161.05969	100.0
162.06274	1.0
163.03891	1.6
163.07550	5.7
167.07068	2.0
176.04443	14.2
176.08412	0.8
177.05482	9.7
177.08746	0.8
179.07008	1.2
181.04893	1.1
181.08641	0.7
184.04936	6.5
191.07027	19.8
191.08771	1.3
193.08598	36.0
205.04684	1.8
209.08044	5.9
215.06787	14.7
230.05467	0.8
231.06262	5.6
233.07953	1.7
274.51239	0.8
275.09027	1.1
287.08948	0.8
352.12558	0.8
381.13214	1.6
411.14520	0.7
424.15033	0.9
440.14471	4.1
441.15173	68.8
442.15384	1.0
606.60535	0.9
633.23029	58.1
634.23694	1.8
635.24188	1.0
843.31720	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
66.72887	0.6
67.05466	0.9
69.03415	1.0
69.07085	1.7
70.06584	3.3
71.59586	0.9
79.05477	0.9
81.03419	1.1
81.07053	3.9
84.08150	1.5
84.96030	1.1
85.02888	1.3
86.09695	1.7
91.05480	1.5
92.51442	0.6
95.08606	2.3
97.02879	1.2
98.97585	7.7
105.01762	0.8
105.03378	1.0
105.07050	1.2
107.04956	3.2
107.08582	1.1
107.76603	0.8
109.02863	0.8
109.10181	1.3
115.05489	1.0
116.98597	8.5
121.10103	0.8
123.11658	1.0
124.12049	0.8
127.03876	1.7
128.98621	1.7
131.00133	1.1
131.04944	0.9
131.08597	1.2
133.06422	0.8
133.10109	1.1
134.99667	4.9
143.08586	0.7
144.05667	1.0
146.99649	1.6
147.04379	0.7
147.11772	0.8
149.01251	2.2
149.05988	0.9
153.00728	1.6
157.06508	0.9
158.99625	6.8
159.07994	1.2
162.99176	0.8
167.07082	2.5
170.99628	0.8
173.01265	2.3
177.00708	13.1
181.04961	1.2
187.07465	1.8
189.00783	1.0
191.02269	2.2
192.41251	0.7
195.01782	2.1
197.01181	6.2
200.02396	1.2
210.06541	1.6
215.02303	4.0
215.07008	0.8
219.01788	3.8
237.02840	5.6
241.00237	3.1
253.11276	1.5
259.01233	6.3
293.28647	0.7
309.00812	2.0
309.14212	0.8
327.01611	1.2
355.14258	14.7
384.14883	0.7
396.60297	0.7
397.15308	27.6
398.15714	1.4
407.02972	2.4
415.03531	1.1
433.04327	5.5
434.04813	1.2
441.05237	1.3
441.14630	2.3
459.05966	10.7
477.07257	1.8
482.07635	1.7
843.31793	100.0
844.32172	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	842.5622
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	89.9
69.03426	6.4
69.07073	21.7
69.56998	3.1
71.04990	5.6
71.60897	3.9
76.48924	2.8
79.05492	63.4
80.95805	3.2
81.03410	4.9
81.07055	92.2
83.04957	6.3
83.08620	10.4
85.02898	5.2
91.03952	3.4
91.05479	48.0
93.07040	63.2
95.04967	12.2
95.08607	64.1
96.00349	3.0
96.89370	3.0
97.02905	3.3
97.06530	7.7
97.10166	7.8
105.07026	33.5
107.04968	5.3
107.08598	43.4
109.06545	4.5
109.10165	29.9
111.08076	8.0
117.07004	15.1
119.02322	2.7
119.08570	27.2
121.10144	28.1
123.08080	5.3
123.11694	6.4
125.09625	3.3
129.07005	7.4
131.08569	24.6
133.10123	20.3
135.08047	5.8
135.11679	13.0
136.81587	3.3
143.08513	5.0
145.10135	15.3
147.11716	10.3
149.09608	5.0
149.13268	12.8
159.11722	10.5
161.13237	4.8
173.11812	7.1
173.13301	9.0
187.14810	4.9
229.14322	14.8
261.22211	12.1
269.17480	12.3
275.19986	19.4
293.21408	4.9
309.20609	13.5
333.15289	4.8
335.25787	100.0
349.23795	16.4
367.24942	8.4
448.36029	3.3
489.35706	13.0
529.38763	33.8
569.42017	59.2
570.41418	4.4
609.45380	25.4
627.46240	19.3
673.42676	3.7
798.02661	3.6
842.53363	50.4
843.53601	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	838.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	1.0
67.05498	2.2
69.03425	2.5
69.07053	1.7
70.06576	2.8
71.59660	1.1
71.60061	1.3
72.08149	1.0
79.05506	5.0
81.03433	1.7
81.07053	4.7
84.04512	2.2
84.08146	1.4
85.02899	3.6
86.09717	2.1
91.05496	5.3
93.07027	4.0
95.04962	1.9
95.08615	3.3
97.02847	1.0
97.06516	0.8
99.04487	1.1
105.07016	4.5
107.04960	16.6
107.08601	3.2
109.02869	1.4
109.10182	2.0
115.05443	2.5
117.07016	2.1
119.04917	1.0
119.08582	2.9
119.25182	0.8
121.06460	1.1
121.10102	1.4
123.04450	2.1
124.05191	2.3
125.05984	1.3
127.03891	1.1
128.06226	1.2
129.06973	2.5
131.04950	1.6
131.08553	2.1
133.06499	2.8
133.10132	1.6
135.11668	1.2
137.05974	2.1
141.06967	2.8
142.07773	1.2
143.08562	2.1
144.05702	1.0
145.06517	1.5
145.10124	2.2
147.04407	1.3
147.07654	1.0
149.06084	1.4
151.03880	0.9
152.04726	1.9
156.05679	1.3
157.06512	2.9
158.07249	1.3
159.08096	1.1
159.11650	1.3
161.05989	1.4
167.07043	48.1
169.06462	1.4
170.07259	8.4
171.08028	1.5
171.11490	1.1
173.05986	1.7
173.12949	1.4
177.05415	1.0
179.07002	3.7
180.66901	1.0
181.05067	1.1
181.08598	5.4
186.06761	5.0
187.07542	1.3
191.06992	1.1
193.05009	1.4
198.06670	1.9
199.07477	1.4
200.08321	1.3
201.09105	3.3
202.07840	1.3
203.08569	2.0
205.06631	1.4
205.08543	2.2
207.06522	1.1
211.07457	0.9
216.07797	3.2
217.08615	3.8
218.07201	1.2
219.08116	4.7
220.08774	3.1
229.08553	5.4
230.07187	1.2
231.08014	4.1
231.10117	21.5
232.08769	1.2
233.06003	1.7
233.09604	3.6
234.06790	1.6
234.10379	1.5
235.07512	1.5
235.11229	2.1
235.99072	1.0
237.09033	1.6
245.09557	2.8
247.07535	10.7
248.08348	5.7
249.09189	2.0
250.06352	2.0
251.06982	1.2
251.10545	1.2
253.08530	1.5
258.06741	1.3
259.07541	3.1
260.08292	1.6
261.06583	0.8
261.09109	4.1
262.06274	1.5
262.09906	3.6
263.10626	7.2
264.07767	2.3
265.08627	3.8
269.08066	1.3
273.09204	1.3
275.07022	6.0
275.09607	1.0
276.07828	7.2
277.05225	1.2
277.08524	3.4
278.05969	0.8
278.09274	2.1
279.10071	2.2
289.08676	2.3
289.25204	1.1
290.09268	3.9
291.10165	10.8
292.07288	3.9
292.10602	1.7
293.08072	8.4
293.11154	1.6
303.06424	1.4
304.07318	2.1
305.08118	2.3
305.11627	1.7
306.08878	1.1
307.06339	1.5
307.09525	6.1
308.10312	5.1
315.08603	3.3
318.08643	1.1
319.09610	2.9
320.06689	1.5
321.07523	3.1
321.11212	2.0
322.08316	2.3
322.12042	2.5
323.09360	1.3
323.12854	4.5
325.10626	2.4
330.10892	3.4
331.12000	0.9
335.09088	1.9
336.09824	3.9
337.10742	6.8
338.07834	2.2
339.12375	1.1
340.13092	1.4
349.11121	1.3
350.11465	2.1
351.12219	7.3
352.13098	2.2
353.10141	9.8
368.12509	13.4
369.12946	1.0
383.14880	100.0
384.15143	1.8
385.16467	24.5
401.15839	2.1
448.66168	1.0
461.28918	2.7
479.29959	2.5
550.15125	0.9
593.23877	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	838.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
60.30807	0.3
70.06580	0.3
71.59885	0.3
77.03930	0.7
78.04712	0.3
79.05491	2.9
81.03403	0.8
89.03928	1.1
91.05482	5.3
93.07053	2.3
93.86382	0.3
95.04976	2.0
95.08628	0.3
102.04681	0.6
103.04785	0.6
103.05468	11.4
105.07028	23.9
106.04208	0.8
107.04956	31.1
111.04440	0.8
115.05425	3.8
117.03378	2.2
117.06989	0.8
118.04137	3.2
119.04955	1.9
119.08575	1.0
120.05716	0.7
121.06510	7.4
123.04471	0.5
125.05973	0.7
129.07030	0.3
130.04158	1.4
131.04924	10.2
132.05690	0.7
133.02843	0.5
133.06490	31.8
134.03651	1.3
135.04396	1.2
135.08118	0.5
137.06001	0.7
138.03113	0.5
143.04974	0.3
143.06039	1.0
145.02843	5.3
145.06487	0.9
146.03586	0.5
147.04442	1.7
147.08044	4.8
148.05186	3.5
149.05981	12.7
151.07637	0.4
153.05429	1.6
155.07060	0.7
159.04414	0.8
161.05983	33.4
163.03885	1.0
163.07523	4.7
164.04631	0.4
166.06256	0.8
167.07072	1.9
173.06000	1.2
175.07529	2.8
176.04663	3.1
177.05464	22.1
179.07031	0.4
181.04955	0.5
181.08594	2.4
191.07025	45.1
192.07433	0.6
193.08604	31.0
194.05736	0.8
199.07556	0.5
207.06552	0.5
209.08086	100.0
210.08412	0.9
227.09149	0.5
233.23935	0.3
235.07455	0.3
237.09071	0.5
248.30029	0.4
256.30350	0.3
291.10178	0.4
297.11288	2.7
315.12219	0.4
323.09232	0.3
323.12671	1.7
333.11639	0.3
341.13553	0.4
351.12305	1.3
365.13855	0.5
371.14807	0.5
383.14935	1.7
401.15872	1.7
413.75681	0.4
479.30014	0.4
640.02136	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03906	0.4
66.04726	0.5
69.03434	0.4
70.06580	0.7
71.59744	0.4
71.60172	0.4
77.03933	0.6
79.05487	3.7
81.03431	0.7
81.07027	0.6
84.06717	0.3
85.02869	0.3
89.03921	1.3
90.04701	0.3
91.05473	5.7
93.07047	3.4
95.04958	2.2
95.08608	0.6
98.51618	0.3
102.04740	0.4
103.05458	14.2
104.42838	0.3
105.03418	0.6
105.07026	26.5
106.04183	0.7
107.04949	34.1
107.08547	0.6
111.04420	0.4
115.05454	6.0
117.03354	2.4
117.07022	0.8
118.04154	5.1
119.04955	1.7
119.08572	1.4
120.05701	0.6
121.06503	8.1
123.04447	0.4
125.06007	0.5
130.04149	1.6
131.04919	12.6
133.02853	0.9
133.06479	37.3
134.03633	1.3
135.04414	1.2
135.08044	0.4
137.05856	0.3
143.04982	0.6
143.05959	1.8
145.02834	5.8
145.06468	0.6
146.03566	0.6
147.04378	2.0
147.08034	6.1
148.05179	5.6
149.05977	13.7
151.03882	0.5
153.05479	2.8
155.07016	1.0
157.06485	0.4
159.04405	1.1
161.05971	40.8
162.06381	0.3
163.03880	1.0
163.07539	7.7
166.06270	1.4
166.50955	0.4
167.07054	1.6
171.08041	0.7
173.05989	1.8
175.07561	3.1
176.04694	3.6
177.05460	24.7
178.06169	0.4
179.07027	0.7
181.04959	0.7
181.08580	3.8
191.07016	63.7
192.07431	1.0
193.08592	33.3
194.05733	1.1
194.08937	0.6
199.07622	0.4
207.06583	0.5
209.08073	100.0
210.08440	1.0
217.08627	0.4
227.09146	1.0
231.07861	0.3
249.51047	0.4
267.49780	0.3
291.10074	0.4
297.11154	2.4
323.12762	1.6
351.12180	1.5
365.13965	0.6
383.14767	1.5
401.15796	1.5
435.84930	0.3
444.96710	0.4
461.28488	0.5
479.29483	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04981	0.3
67.05511	0.4
68.25838	0.2
69.03407	0.5
70.06601	0.3
70.08401	1.0
70.78516	0.3
72.08138	0.8
78.04690	1.0
79.05049	0.4
79.05486	4.3
81.03399	0.3
81.07043	0.6
85.02904	0.4
86.09694	0.8
86.82840	0.2
91.05466	2.5
93.07035	0.7
95.04974	1.9
95.08562	0.3
103.05438	0.6
105.04512	0.3
105.07039	1.7
106.04177	0.6
107.04947	22.4
107.08601	0.3
109.06532	0.3
115.05450	1.3
116.06239	0.4
117.07010	0.6
119.04960	0.5
119.08552	0.3
121.06482	1.4
122.03601	0.3
123.04401	2.4
124.05214	2.8
125.05994	1.5
125.65234	0.3
126.97731	0.3
128.06194	0.7
129.06972	0.9
131.04936	0.8
131.08556	1.4
132.05687	0.3
133.06476	5.0
135.04401	0.3
137.05954	0.7
141.06975	3.3
142.07733	0.4
143.08536	0.6
144.05719	1.5
145.06461	1.4
147.04381	0.5
147.08025	1.1
149.05981	0.8
151.03883	0.8
152.04701	1.9
153.05424	0.7
153.06967	0.3
155.08522	0.4
156.05710	1.4
157.06500	1.8
158.07251	1.2
159.08040	2.5
161.05946	1.3
163.03909	0.4
166.06248	0.5
167.07028	72.8
168.05719	0.4
168.07330	0.6
169.06473	1.6
170.07251	8.9
171.08032	1.0
172.05188	0.5
173.05942	1.1
174.06615	0.3
175.07564	0.7
177.05418	1.0
178.07761	0.4
179.07027	4.0
181.04958	0.9
181.08578	8.7
183.08092	0.4
184.05203	0.7
185.05951	0.5
186.06734	2.8
187.07532	3.1
188.08276	1.3
189.07007	0.4
190.06216	0.6
190.07762	0.6
191.06987	1.2
191.08565	0.8
192.09329	0.4
193.08585	1.3
194.07224	0.5
197.05975	0.5
198.06705	2.2
199.07559	1.4
200.08308	1.3
201.05452	0.4
201.09081	2.9
202.06129	0.6
202.07828	1.3
203.06924	0.3
203.08569	1.4
203.10658	1.3
204.09460	0.5
205.06540	0.8
205.08595	3.9
205.10234	0.6
207.06447	0.7
207.08192	0.6
208.05182	0.5
209.09738	0.4
211.07500	0.7
212.08075	0.3
214.06264	0.4
215.06989	1.4
215.08728	0.5
216.07753	3.4
217.08487	3.3
217.09996	0.3
218.07224	1.0
218.09071	0.3
219.08047	3.5
219.10155	1.4
220.08855	2.6
221.05847	0.4
221.09590	0.7
223.07613	0.4
229.06439	0.6
229.08571	5.7
230.07304	1.1
231.08046	4.5
231.10132	42.9
232.08813	1.6
232.10783	0.4
233.05898	0.8
233.09613	3.3
234.06583	0.7
234.10434	0.7
235.07500	1.4
235.11108	1.3
237.09142	0.9
238.18768	0.3
239.07077	0.3
243.08052	0.4
244.08862	0.7
245.09682	2.0
246.06787	0.6
247.07506	6.0
247.09702	1.9
248.08322	5.9
249.05453	0.4
249.09053	1.9
250.06287	0.7
250.09871	0.8
251.07083	0.6
251.10663	0.6
254.05710	0.6
256.07227	0.4
258.06766	1.0
259.07535	2.3
260.08313	1.5
261.05603	0.5
261.09094	3.5
262.06195	0.9
262.09857	3.5
263.07065	1.6
263.10651	6.3
264.07813	1.5
265.08502	2.7
266.09384	0.4
267.10056	0.6
269.08179	2.0
271.09677	0.6
273.09015	1.0
274.06076	0.4
275.07028	3.8
275.10315	0.6
276.07800	5.4
276.10788	0.5
277.05469	0.5
277.08575	3.9
277.11771	0.5
278.05673	0.9
278.09357	1.7
279.06543	0.8
279.10138	2.5
280.07431	0.5
280.10840	1.0
281.08051	0.5
282.05429	0.5
282.08862	0.5
287.06729	0.6
289.05405	0.5
289.08347	1.6
290.06149	0.6
290.09338	3.9
291.06824	0.4
291.10114	9.9
292.07257	2.3
292.10855	1.0
293.08054	5.7
293.11658	1.6
294.08752	1.1
295.09671	1.0
295.12994	0.3
296.10251	0.3
299.09161	0.6
300.06296	0.4
301.06659	0.5
303.06424	0.4
304.07220	1.4
305.08014	2.6
305.11670	1.5
306.08746	1.1
307.06201	0.6
307.09595	5.3
308.10397	5.1
309.07834	0.4
309.11191	1.2
310.08444	0.7
310.11853	0.3
315.08612	5.8
318.08951	1.4
319.09650	4.8
320.06989	0.4
320.10492	1.1
321.07535	3.9
321.11209	2.1
322.08276	1.8
322.12006	1.6
323.05698	0.5
323.09265	0.5
323.12726	6.4
324.09964	0.4
325.10614	1.5
325.14285	0.7
326.11325	0.5
330.10925	8.6
331.11719	1.5
333.11221	0.9
335.09113	1.5
335.12857	0.9
336.09833	5.0
337.10660	6.0
338.07809	1.2
338.11462	0.4
339.12122	0.8
340.13248	0.7
343.11636	1.1
350.11429	1.4
351.12247	12.8
352.12973	1.9
353.10135	6.2
353.13934	1.8
354.14633	0.5
355.11639	0.6
356.12625	0.5
357.13162	0.7
367.11545	0.4
368.12512	9.0
369.13205	1.0
370.14359	0.5
383.14853	100.0
384.15015	1.5
385.16431	47.6
386.16742	0.8
401.15970	5.6
593.23865	8.7
839.70557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02890	2.6
65.03923	3.3
67.05486	5.4
69.03418	11.2
69.07048	2.7
70.06588	17.2
79.05490	7.2
81.03394	6.7
81.07035	9.1
83.79384	2.1
84.08115	4.1
85.02888	13.5
85.16563	2.0
86.09678	9.1
91.05461	8.6
93.05781	2.3
93.07017	6.8
94.04088	2.2
94.06541	8.2
95.04971	4.2
95.08563	2.6
96.08109	7.6
97.02871	5.6
98.53645	2.5
98.97547	3.6
99.04434	4.3
103.05440	2.4
105.07003	2.4
107.04940	3.3
107.08565	3.5
108.04400	2.6
108.08130	14.5
109.02861	3.1
109.06494	2.8
109.10153	2.4
110.09660	12.5
112.43471	2.2
119.08541	2.4
120.04413	3.7
120.08092	17.6
121.10184	2.4
122.06012	7.2
122.09615	3.6
124.07572	8.7
127.03919	4.3
131.04959	2.3
131.08481	3.3
133.06433	3.0
134.05992	3.0
136.07573	19.4
136.59554	2.6
137.05963	5.3
138.09106	17.6
141.10100	2.6
145.10120	2.4
146.05991	7.5
147.04416	3.2
147.11626	3.3
148.07550	8.2
150.09158	11.0
152.07076	5.0
160.03986	4.2
161.05959	4.0
162.05550	3.9
163.03891	3.8
164.07050	3.7
166.08612	33.3
167.07068	10.4
168.10249	2.3
172.03908	21.8
173.12985	4.6
177.05496	4.5
181.04985	5.4
189.05197	9.8
190.04962	18.0
193.04933	5.2
204.06567	27.3
211.08601	4.9
212.09445	4.7
213.10152	3.0
225.10219	12.2
227.11751	10.3
237.10345	11.8
238.11159	2.5
239.11740	7.6
240.12558	3.0
241.09689	8.2
249.10097	6.3
250.11029	2.7
251.08128	3.7
251.11792	8.8
252.08847	2.8
252.12540	2.8
253.09605	11.4
253.13390	3.3
255.11317	7.9
261.10168	3.3
262.10965	3.5
263.11707	5.9
264.08972	4.0
265.09726	12.4
265.13217	2.5
266.10587	2.9
267.11246	16.2
269.12833	15.3
271.10687	9.6
273.12347	3.2
277.09616	5.6
278.10260	3.2
279.11197	15.4
280.11972	4.9
281.09311	2.9
281.12903	5.7
283.10602	11.5
284.11459	4.6
285.12286	9.2
287.13962	13.2
289.09592	7.4
293.09131	8.2
293.12582	4.7
294.09824	3.7
295.10757	5.9
296.11700	2.4
297.12299	15.8
299.10278	4.6
299.13947	5.1
300.10974	7.0
300.14404	2.7
307.10587	6.8
308.11517	2.8
309.12271	9.2
311.10184	6.3
311.13766	4.5
312.11038	4.9
313.11816	5.3
314.12741	5.1
315.13351	21.5
321.12183	2.8
323.10065	7.8
323.13498	2.9
324.10986	3.3
325.11853	17.7
326.12769	3.7
327.13303	12.4
329.14954	2.6
335.10303	11.1
337.12225	2.9
339.13330	30.6
340.10385	3.6
340.14072	3.4
341.11191	3.3
342.12354	7.0
343.12860	7.6
353.11319	8.1
354.12125	6.3
355.12848	13.2
356.13864	5.3
357.14392	23.4
358.15350	2.8
365.11246	3.3
367.12848	23.7
370.15402	4.1
384.12955	3.3
389.26749	2.5
398.15140	12.2
398.19534	2.7
399.15714	23.1
402.18008	2.5
404.15680	3.5
414.18265	3.1
416.15668	15.4
428.15836	5.2
430.17422	7.4
432.19278	3.8
440.16083	5.5
446.17316	13.0
458.16995	26.4
460.18759	3.7
462.20111	3.2
478.19470	6.8
480.21146	5.3
487.17041	9.9
488.18375	8.7
489.17743	2.9
490.19556	10.3
506.19116	6.4
520.20825	11.4
569.23212	3.2
578.43323	2.7
582.24316	3.4
593.23450	5.3
611.24982	99.3
612.24524	2.7
642.26654	18.1
643.27972	19.7
650.23431	12.1
651.24542	3.4
682.26001	100.0
683.26721	31.0
714.28979	15.2
715.29565	14.7
773.29919	29.4
805.32062	4.7
837.32538	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	835.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	1.0
67.05494	1.7
69.03429	5.8
69.07063	1.3
70.06585	2.3
70.88899	1.7
70.89268	0.5
71.04980	0.9
73.02911	1.1
79.05482	2.5
81.03405	3.2
81.07053	3.6
84.08108	0.5
85.02895	7.2
86.09700	0.8
87.04496	0.9
91.05488	1.0
93.07033	2.4
94.06551	4.4
95.07359	1.1
95.08601	1.4
96.08118	4.7
97.02898	2.5
97.06528	0.9
98.97580	1.3
99.04451	1.3
103.05444	1.0
105.07011	2.2
106.06515	0.7
107.08619	1.2
108.08098	9.0
109.02878	2.0
109.10188	1.0
109.76527	0.6
110.09681	8.5
116.98682	0.7
119.08599	1.7
120.08109	8.7
121.10199	1.0
122.06020	12.0
122.09692	2.3
123.11699	0.6
124.07570	1.4
127.03941	2.9
128.98485	0.5
129.07004	0.6
131.00160	0.6
134.06044	2.2
134.99632	0.6
135.07913	0.6
136.06528	0.7
136.07568	13.5
137.06024	0.7
138.09131	12.1
145.10136	0.9
148.07574	5.4
150.09142	4.2
151.07466	0.8
152.07065	1.8
158.99606	0.7
166.08632	21.3
167.07120	1.4
172.03983	1.9
175.03641	3.5
191.07124	0.6
193.05020	1.7
193.08813	0.6
194.08244	2.2
197.10828	0.6
198.09207	1.4
204.06630	2.2
207.06630	0.9
209.10794	2.7
211.08687	0.7
212.11049	0.5
215.11804	1.2
221.10672	1.2
223.12320	1.6
225.10251	2.2
235.08565	2.9
236.09412	4.5
237.10202	20.4
238.10921	1.4
239.08319	1.1
239.11826	2.3
243.11320	7.6
248.09453	0.8
249.10217	17.7
250.07454	0.7
250.11008	3.9
251.08122	1.3
251.11790	8.0
252.09158	1.0
252.12462	1.2
253.09731	3.1
255.11394	1.6
261.10355	1.9
263.08215	2.2
263.11798	1.6
264.08914	11.7
265.09692	9.7
265.12805	0.8
266.10510	2.5
267.11237	6.5
269.09399	1.0
276.08997	0.9
277.09705	17.1
278.07214	1.2
278.10434	7.3
279.07855	2.6
279.11237	17.2
280.08661	1.1
280.12082	2.1
281.09253	5.0
281.12616	1.2
282.09961	1.7
283.10831	2.2
285.12305	6.3
289.09839	1.2
291.07718	1.6
291.11316	1.7
292.08438	3.7
292.11844	1.3
293.09262	39.6
293.12836	10.2
294.09848	2.6
294.13904	0.7
295.10736	5.5
296.11209	0.6
297.08466	0.7
297.12305	1.2
298.09515	0.9
303.23343	0.6
305.09198	11.5
306.09976	2.2
307.10724	14.2
309.08752	4.1
309.12408	5.0
310.09732	0.6
311.10339	3.8
311.14108	1.8
312.11105	2.0
313.11713	3.7
314.12643	0.9
315.13617	0.6
317.14932	7.3
319.10660	1.5
321.08768	0.9
321.12408	1.7
321.24207	0.9
322.13205	1.2
323.10242	9.7
323.13867	1.4
324.11179	2.4
325.11789	6.6
326.12762	1.5
327.13638	2.4
328.14673	0.7
333.08664	7.8
335.10385	0.8
337.11761	4.6
338.12704	1.8
339.13391	14.2
340.14304	1.2
341.15237	1.4
342.12363	1.0
342.16245	0.7
343.13141	0.7
344.13968	1.0
351.09726	41.9
352.10352	1.1
353.11359	3.8
353.15186	2.7
354.12106	2.8
355.13010	5.0
356.14127	1.6
357.14624	1.8
358.15643	1.4
364.14569	1.1
365.11172	4.5
365.14636	0.5
366.12039	12.4
367.12857	2.8
368.13904	2.7
369.14560	2.5
370.11670	2.0
370.15668	1.9
371.12271	9.7
372.13232	1.2
379.12723	0.6
382.11691	2.0
382.15860	1.2
383.12332	18.9
383.16827	1.3
384.13110	2.5
384.17303	2.0
385.13898	9.3
386.14883	2.0
387.15552	1.4
392.14380	0.8
394.15515	0.7
396.13483	1.3
397.13940	7.2
398.14362	4.1
398.17963	0.9
398.19156	1.3
399.15494	2.7
400.16489	2.0
402.14230	1.1
402.93091	0.6
410.15030	1.2
412.16498	1.8
415.15860	1.3
416.15561	0.8
417.16666	0.8
418.17728	2.6
420.13437	0.9
423.14923	0.6
426.14117	1.3
428.15973	4.0
430.17935	1.8
432.19421	1.3
438.14392	4.6
442.17062	1.2
444.14807	1.0
444.19928	1.2
446.16974	10.9
455.16681	1.6
456.15549	7.7
458.17197	4.6
460.18781	1.4
472.18661	0.9
474.20587	1.0
476.18042	8.4
478.19690	4.3
479.19559	0.7
486.16376	3.9
488.18097	4.6
490.19708	3.4
504.17938	2.1
508.20987	1.2
518.19159	14.2
519.19922	7.1
520.20831	1.2
536.20227	19.2
537.20947	0.9
550.21863	13.5
551.22571	8.7
552.22900	1.3
591.22717	1.0
595.25378	0.8
608.22351	1.0
609.23468	6.0
623.24719	4.0
640.24646	4.2
641.26013	30.7
642.26477	1.1
648.22443	1.0
649.22314	1.6
662.23773	2.9
673.28735	0.8
680.24487	29.6
681.25208	16.1
682.25726	1.3
712.27588	4.8
713.27856	100.0
714.28363	4.7
803.31830	2.9
835.31567	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	829.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	5.0
67.05502	5.7
69.03434	2.9
69.07061	1.8
69.42511	3.0
71.01349	0.4
71.04984	0.5
73.02914	4.1
78.17515	0.3
79.05493	3.9
81.03411	1.7
81.07049	5.1
82.76685	0.3
83.04960	0.6
83.08627	0.6
85.02892	4.6
87.04478	0.4
91.03938	2.6
91.05463	3.3
93.07040	4.3
95.04964	0.9
95.08595	3.2
97.02884	5.0
97.06528	0.3
99.04455	0.9
101.02406	1.7
103.03911	0.4
105.07022	1.6
106.88023	0.3
107.08566	2.2
109.02856	1.0
109.10168	1.2
117.07005	0.5
119.08588	1.2
121.10114	1.6
123.11729	0.6
127.03882	1.7
130.31555	0.3
131.08580	0.7
133.10141	0.8
135.11699	1.1
145.10095	0.5
147.11758	0.5
149.13188	0.3
159.11694	0.4
185.04265	0.5
203.05391	0.5
234.05556	0.3
243.08379	2.3
301.70303	0.3
333.20331	3.5
335.25925	0.3
453.21249	0.6
519.29248	7.7
551.28119	2.9
829.50623	100.0
830.51013	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	833.2135
Annotation	Quercetin 3-(6'''-sinapylglucosyl)(1->2)-galactoside
Peak:m/z	Relative Intensity
59.59984	0.5
65.03934	1.2
67.05489	0.6
68.37136	0.4
69.03429	2.6
69.45198	0.6
69.45533	4.2
70.06596	3.2
71.04987	0.5
72.08149	0.5
76.03148	0.5
81.03427	3.1
83.65943	0.4
84.04473	0.5
84.08120	1.2
85.02895	4.2
85.91898	0.4
86.09696	1.9
91.05482	12.3
93.07073	0.6
95.04967	0.9
97.02888	1.4
99.04477	0.6
107.04913	0.7
108.10233	0.5
109.02863	2.4
110.07171	0.8
111.00797	0.4
119.04946	21.5
120.08091	1.0
121.02864	1.2
127.03906	2.2
129.10165	0.6
135.04373	0.8
136.07578	1.0
137.02347	5.3
147.04416	19.4
149.02365	1.7
153.01830	1.6
157.03925	1.3
163.03900	1.4
164.06985	0.7
165.01863	0.6
166.08707	0.7
167.07040	0.8
175.03914	36.5
176.04359	0.7
177.05450	1.0
179.07053	1.8
193.04874	0.6
207.06531	100.0
208.06880	1.7
213.05721	0.5
229.05016	1.5
257.04315	1.4
274.05057	0.5
279.44598	0.4
280.12137	0.5
291.56857	0.5
303.04996	54.6
304.05157	1.3
314.70911	0.5
351.10727	6.9
353.22745	0.5
365.08267	0.4
369.11850	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	824.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04967	1.4
61.02924	3.6
65.03944	3.8
67.05505	88.7
68.08381	1.2
68.76217	1.2
69.03444	6.5
69.06711	2.5
69.07063	24.5
69.53952	4.8
69.54375	6.2
71.04985	4.2
73.02911	2.5
77.03920	1.7
79.05494	66.9
81.03414	8.5
81.07056	90.3
82.07386	2.0
82.87537	1.4
83.04984	11.6
83.08616	12.7
85.02895	8.8
85.06538	4.5
91.05482	55.7
93.07044	76.4
95.04976	12.8
95.08604	57.8
96.35330	1.4
97.02886	3.5
97.06526	8.2
97.10166	6.2
99.04480	1.3
99.08121	3.3
103.05480	2.6
105.04525	1.4
105.07029	42.1
107.04965	5.4
107.08593	39.8
109.06496	8.1
109.10146	22.0
111.04467	2.2
111.08099	4.6
115.05512	2.5
117.07005	19.0
119.08585	32.1
121.06509	3.8
121.10143	31.9
123.08092	3.8
123.11712	5.5
125.09613	4.1
127.03883	3.5
128.06235	2.2
129.05505	1.7
129.07022	6.3
131.08568	27.0
133.06534	1.8
133.10130	26.9
135.08044	3.7
135.11687	19.5
137.09621	4.2
137.13239	1.8
141.07013	3.5
142.07806	2.9
143.08557	7.4
145.06523	1.4
145.10117	20.6
147.08026	1.4
147.11688	15.0
149.09589	7.3
149.13252	10.1
155.08536	2.6
157.10155	5.2
159.11699	16.8
161.13301	6.6
163.11166	4.9
163.14772	2.1
165.12766	2.5
169.10126	2.9
171.11713	5.8
173.04500	1.5
173.11765	2.9
173.13281	8.1
175.14824	3.7
177.12715	3.2
183.11693	3.2
185.13237	4.1
187.14864	4.0
195.13828	3.7
197.13326	3.0
199.14891	3.3
201.16336	2.5
203.14259	3.0
219.17482	2.5
227.12766	1.4
229.14337	5.8
229.19516	1.9
235.16927	3.1
239.17953	3.0
243.21159	4.1
255.15971	3.7
257.18900	8.7
259.20563	2.4
261.22104	11.1
267.15930	2.8
269.17477	21.9
275.20081	26.8
283.19113	2.5
291.19598	1.6
293.21078	1.4
309.20596	10.3
317.24789	2.5
331.22580	2.8
333.24112	1.7
335.25803	100.0
336.26199	3.0
349.23764	18.9
367.24805	2.9
396.45786	1.3
413.21643	1.6
489.35608	3.1
515.37457	6.7
529.38898	49.8
530.39233	3.1
543.40228	5.1
550.97748	1.6
569.42017	24.1
609.45105	20.1
627.45831	5.2
739.01398	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	7.8
65.03939	2.8
67.05505	27.1
68.05023	2.2
69.03439	5.5
69.07062	6.1
70.06591	42.1
71.59458	1.7
72.32642	1.1
73.02891	1.5
79.05490	24.5
80.05015	16.1
81.03416	33.5
81.07055	25.9
82.06575	2.7
83.04983	6.2
83.08181	1.1
83.08619	4.7
84.04505	4.2
85.02892	7.9
85.06536	1.5
91.03947	1.8
91.05476	21.8
93.07045	23.0
95.04982	8.5
95.08602	17.2
96.22182	1.0
97.02899	4.5
97.06538	2.7
97.10133	1.1
98.06055	100.0
99.04448	4.1
102.09189	1.3
105.07030	14.4
107.04962	3.1
107.08593	12.4
108.08127	1.0
109.02888	1.4
109.06515	3.0
109.10184	5.5
111.08068	1.7
113.06013	1.4
115.05457	1.5
116.07098	31.7
117.07022	12.1
119.04935	3.8
119.08577	11.6
120.08181	1.0
121.06505	3.6
121.10130	7.7
123.11698	1.7
128.06213	1.9
129.06979	5.7
130.04990	2.0
130.06487	1.3
130.08618	2.0
131.04898	2.2
131.08563	12.6
132.08055	1.7
133.06508	4.1
133.10115	5.7
135.05458	1.0
135.08069	2.0
135.11696	4.9
137.06018	1.4
141.07037	1.5
143.08560	5.3
145.06509	5.3
145.10106	5.3
147.08023	3.3
147.11702	2.8
148.06029	3.3
149.02403	1.4
149.09610	2.2
149.13225	5.2
155.08566	4.3
157.10127	4.4
159.08110	2.0
159.11684	3.7
161.09541	1.5
161.13271	2.0
169.10123	1.7
171.08102	1.8
171.11748	1.5
173.09575	1.5
173.13229	2.1
175.11182	1.5
175.14790	1.7
185.13249	2.1
189.12735	1.1
197.09621	1.3
209.57111	1.1
211.14961	2.0
213.12566	1.0
215.14502	1.1
221.13226	1.1
228.23216	1.7
229.15962	1.7
239.14317	1.8
247.17036	2.2
249.14983	1.5
256.16800	1.2
257.12750	1.1
257.15411	4.8
259.20520	1.2
261.22223	3.6
269.17462	13.4
274.17963	2.6
275.16367	7.1
323.18829	1.3
323.23453	1.9
333.24509	1.3
335.25815	29.6
341.24734	10.1
349.20129	12.1
366.22693	1.4
371.25052	1.3
415.28616	5.7
486.22827	3.1
529.39105	7.9
535.38031	1.3
583.39203	1.4
608.42761	2.8
609.41693	12.4
611.21503	1.6
626.44012	14.2
627.42096	4.0
644.45490	7.5
648.26874	1.2
662.46362	1.6
788.49023	3.6
792.28107	2.2
806.49860	4.7
824.36591	1.8
824.50842	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	822.5354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	25.2
62.83126	2.3
67.05499	44.3
69.03424	2.6
69.07059	14.8
69.26394	4.0
69.26788	24.8
71.04981	4.3
79.05482	32.3
79.61530	2.1
81.07052	48.8
83.04995	4.8
83.08597	8.3
85.02918	2.7
85.06548	4.5
86.01098	2.1
91.05470	25.3
93.07036	26.4
95.04950	7.5
95.08605	34.6
97.06510	5.6
98.20762	4.1
102.86948	2.4
105.07031	24.8
107.08595	22.2
109.06495	15.9
109.10175	12.2
117.07008	9.1
119.08611	16.3
121.10149	15.4
123.08096	4.3
123.11668	3.8
125.09631	3.1
127.07566	14.5
127.08331	2.2
129.06984	2.7
131.08554	11.0
133.10104	7.3
135.08028	9.8
135.11667	6.5
136.63239	2.4
143.08548	7.8
145.06485	2.5
145.10106	6.6
147.11673	9.8
149.13240	4.3
155.08377	2.6
157.71240	2.2
159.11725	5.6
163.11250	2.5
165.12810	5.1
173.13234	4.3
176.76616	2.3
177.12648	2.9
201.12683	2.7
223.13344	2.4
235.16908	5.4
261.22403	4.4
269.17606	2.8
273.18384	14.1
291.19525	60.7
291.22842	3.2
335.25778	100.0
347.21817	3.2
365.23203	43.1
485.28073	2.7
607.42950	4.1
625.44592	78.7
647.35254	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	824.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	4.6
67.05481	1.6
68.19300	0.4
69.03410	1.5
69.45438	3.9
70.06583	1.8
72.91126	0.4
75.04475	2.3
76.29093	0.4
77.03928	0.6
78.04703	1.8
79.05495	3.8
81.03408	2.3
81.07053	1.0
82.04177	0.9
84.08138	0.6
85.02908	6.2
86.09703	0.8
89.03897	0.6
89.06034	0.6
89.67358	0.4
90.21893	0.4
91.05477	7.5
93.03405	6.6
93.07043	2.8
95.04965	5.5
96.05732	0.6
97.02887	0.8
97.06528	3.1
101.06008	0.5
103.05469	13.6
105.03388	1.6
105.07034	5.8
106.04173	14.5
107.04953	7.2
109.02855	0.9
109.06499	1.4
110.03699	1.0
111.04422	1.1
115.03990	0.5
115.05451	4.1
117.03384	1.0
117.07048	2.3
118.04144	2.9
119.04911	2.1
119.08617	0.5
121.05640	0.9
121.06508	16.2
123.04418	3.7
123.08056	0.6
124.05249	2.2
124.33451	0.4
125.05163	0.5
125.05997	6.0
127.03894	0.8
128.06256	0.9
129.07033	1.0
130.04141	0.7
131.04927	13.7
131.05931	0.7
131.08524	0.7
132.05742	1.0
133.02841	1.4
133.06477	6.4
134.03621	2.4
135.04405	1.4
135.08049	1.3
137.02258	0.6
137.05951	3.9
138.03094	0.6
138.06757	0.5
139.07555	1.7
142.02589	0.9
143.04932	1.2
144.05656	0.8
145.02843	0.9
145.05096	0.4
145.05444	0.5
145.06464	3.5
146.03587	0.8
146.07239	0.5
147.04420	0.8
147.08008	1.7
148.05180	8.4
149.05981	28.2
151.03957	2.3
151.07616	2.2
152.04674	1.3
153.05434	2.3
153.09103	7.4
155.07056	0.7
156.05696	0.6
157.06467	1.1
159.04353	0.6
159.08064	1.5
160.05234	0.8
161.05984	6.0
162.07759	0.5
163.03899	1.3
163.07541	14.3
165.05547	1.0
165.09143	0.5
166.06296	0.9
167.07043	39.9
171.04430	0.6
171.06589	2.2
172.05229	0.6
173.05983	5.2
174.06770	1.1
175.04044	0.5
175.07549	2.5
176.04663	1.4
177.05476	16.1
177.09085	0.5
178.06230	0.7
179.07008	0.9
180.08739	0.7
181.04961	47.7
181.08562	15.5
183.06424	0.6
185.06073	0.6
187.07506	1.9
189.05559	0.5
190.06299	1.0
191.07028	56.1
192.07790	0.6
193.04929	1.0
193.08565	3.4
194.05638	0.4
195.06503	2.7
201.05440	1.4
202.06303	0.6
203.07008	1.6
205.06779	0.7
205.08495	2.5
207.06454	1.5
207.08241	0.8
207.10139	1.8
209.08089	100.0
217.08548	2.0
219.08232	0.7
219.10176	2.9
220.07208	0.7
221.06035	0.8
221.08151	1.2
225.07512	1.0
229.08749	0.5
231.06480	0.6
233.07990	2.7
235.07510	1.1
235.09663	3.9
236.08295	0.8
241.08658	0.6
245.08153	1.0
251.09251	0.5
263.09164	15.5
264.07428	0.5
265.08490	0.8
267.10135	2.5
293.08017	0.7
294.08859	0.5
295.09595	0.8
297.11249	1.0
299.09195	0.5
307.09622	1.1
313.10587	0.7
325.10739	1.2
329.13602	0.7
331.11786	0.6
337.10550	0.7
339.12436	1.0
353.09888	0.9
357.13281	4.8
367.11734	0.5
369.13498	0.9
371.14713	0.7
376.52716	0.6
381.13147	0.5
385.12775	6.7
387.14520	1.0
389.15900	0.5
399.14276	3.1
401.15558	0.4
417.15442	18.9
609.22589	0.7
626.20984	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	19.6
57.07076	1.1
59.04979	1.1
60.24417	0.6
61.02924	76.5
65.03907	1.3
67.05500	28.1
69.03071	1.5
69.03427	25.0
69.07062	5.4
69.41762	4.3
69.42168	1.9
71.01354	3.8
71.04987	5.5
73.02914	21.3
75.04445	1.3
75.34496	0.7
79.05486	17.9
81.03414	23.3
81.07056	29.4
83.01347	1.0
83.04974	4.3
83.08607	3.2
85.02901	100.0
85.06551	1.2
87.04456	2.9
91.03950	53.6
91.05467	12.3
93.07036	24.1
93.07620	1.3
95.04943	3.7
95.08604	22.8
96.40393	0.7
97.02886	71.9
97.06538	2.9
97.10142	0.9
99.00830	1.3
99.04448	12.4
99.08104	0.8
100.69434	0.8
101.02390	4.7
103.03939	8.7
105.07030	9.8
107.08591	12.7
109.02879	12.0
109.06488	1.8
109.10143	11.6
111.04427	4.1
111.08088	1.2
115.03927	6.8
115.99189	0.6
117.05494	2.2
117.07017	3.8
119.08571	8.5
121.06532	1.1
121.10136	12.2
123.04434	1.0
123.08114	1.1
123.11695	4.6
127.03908	33.2
129.05481	4.9
129.07021	1.0
131.08577	8.0
133.06485	1.0
133.10120	6.2
135.08064	1.3
135.11696	8.5
137.05988	1.3
137.09578	1.4
137.13248	1.7
139.03871	0.9
141.06964	1.0
143.08539	1.6
145.04948	28.7
145.10110	7.1
147.08020	0.8
147.11664	5.4
149.13242	4.8
151.11189	0.9
155.07066	1.4
155.08536	1.2
157.10115	2.0
159.06595	1.7
159.11694	7.0
161.13268	3.4
163.06009	17.9
163.11172	1.1
163.14801	3.5
167.28519	0.7
169.10149	1.6
171.06551	1.8
171.11678	2.1
173.13269	4.9
175.11288	0.8
175.14853	2.4
177.09132	0.7
177.12761	1.1
177.16359	1.5
180.09607	0.8
183.06554	8.0
183.08055	1.1
183.11723	2.0
185.13310	2.6
187.14861	3.0
191.14305	0.8
195.11644	0.9
199.14853	1.4
201.07608	6.4
201.12704	0.9
201.16422	1.2
219.08664	1.6
229.07022	0.9
243.21144	4.9
259.20593	2.4
261.22101	14.3
265.59558	0.7
273.22263	0.9
285.22189	1.9
303.23334	2.9
315.23203	2.5
317.24695	1.0
321.24335	0.8
327.23264	1.7
335.25784	52.2
339.22961	1.1
341.24829	1.4
345.24316	1.6
351.22919	1.8
353.27011	1.5
363.25250	2.4
369.24127	4.6
377.26889	3.8
387.25269	1.4
389.26947	1.6
399.24377	0.7
405.26270	2.1
419.27945	1.2
431.28033	1.6
443.27792	5.1
461.28772	4.9
479.29971	8.5
497.31241	2.0
557.02985	0.8
844.59137	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36436	0.6
65.03915	1.5
67.05511	1.4
69.03398	1.6
69.07046	0.6
70.06567	2.7
71.59393	1.1
79.05467	2.2
81.03416	3.3
81.07030	1.8
85.02876	1.9
86.09689	1.2
89.03916	1.0
91.05470	1.5
93.07001	1.9
94.06541	1.9
95.04961	1.0
95.07318	1.3
95.08600	1.4
96.08151	3.3
97.02868	1.4
98.97581	0.6
103.05455	1.5
105.07011	1.4
106.06576	0.7
107.04944	1.9
108.08117	3.6
109.02826	0.9
110.09678	4.9
115.05436	0.9
116.04962	2.1
119.08588	0.7
120.04455	1.2
120.08110	4.8
121.06520	0.8
122.06007	5.7
124.07560	3.4
127.03882	1.7
130.06505	0.6
131.04900	0.8
131.08638	0.7
133.06453	0.6
134.05989	1.3
136.07582	8.1
137.06010	1.7
138.09132	7.9
143.08542	0.8
144.04443	5.5
146.06007	3.3
147.04350	0.7
148.07526	2.3
150.05464	1.9
160.03984	1.0
160.07576	0.7
161.05954	0.7
161.07175	0.8
162.05496	4.1
163.03821	0.8
164.07082	0.8
166.08640	10.9
167.07060	3.9
169.08771	0.9
170.09593	3.6
172.03928	43.3
172.09836	1.0
172.11234	1.4
174.05513	1.9
174.09093	0.7
175.08685	1.0
177.05508	1.2
181.04915	1.1
184.07494	0.8
186.09154	0.6
187.12311	3.1
190.04980	6.2
198.07301	1.2
198.09131	19.9
199.08557	0.6
200.09355	2.1
200.10928	1.2
204.06551	65.9
205.06853	1.3
206.08167	0.8
212.10765	3.9
213.10178	0.8
215.11801	16.5
222.07394	0.7
225.10229	0.9
226.08688	6.5
227.08200	0.9
227.11859	3.1
228.08754	0.7
229.09622	0.9
229.13388	0.9
230.10434	0.7
231.11295	1.2
240.10135	1.8
241.09624	1.6
241.13350	2.0
242.10417	1.6
243.11282	86.8
244.11717	1.3
251.11757	1.0
255.11327	6.9
257.12930	5.3
265.09705	1.3
267.11230	1.3
269.09271	1.9
269.12534	0.8
273.12170	0.7
279.11346	1.2
283.10800	1.5
285.12326	79.4
286.12674	1.9
293.09180	0.8
297.12347	1.1
298.13034	0.8
299.13794	1.1
301.11798	7.0
302.12442	0.8
303.13379	100.0
304.13751	1.3
307.10526	0.8
313.11841	0.8
314.12930	0.6
315.09726	1.1
317.14966	0.7
325.11896	4.0
329.14941	1.2
339.13562	1.2
341.14844	0.8
343.12961	1.8
357.14420	17.1
358.15244	2.5
359.15875	3.3
362.32401	0.7
418.17300	1.2
428.16122	1.2
430.17816	1.5
434.17001	1.1
444.15604	0.9
462.16727	2.9
474.16864	3.2
487.17392	1.2
494.19077	3.6
506.18863	1.1
519.19299	1.2
562.49518	0.7
583.25458	9.2
599.24927	4.0
609.23468	1.5
627.24481	24.0
628.24884	1.2
641.25568	1.5
659.26935	3.4
661.47430	0.7
841.50201	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
62.77589	0.2
63.40216	0.2
65.03932	0.4
67.05492	0.5
69.03416	0.9
69.07042	0.2
69.48426	0.4
69.48837	1.4
70.06578	1.5
72.08148	0.4
73.02904	0.2
77.03964	0.2
77.39986	0.2
78.22345	0.2
79.05477	0.8
80.04996	0.5
81.03423	1.2
81.07039	0.4
82.06558	0.4
84.08141	0.4
85.02908	1.6
86.09690	0.7
89.03902	1.0
91.05470	0.9
92.04990	0.4
93.05805	0.3
93.07009	1.2
94.06558	2.3
95.04973	0.6
95.07359	1.3
95.08585	0.2
96.08121	2.8
97.02865	0.6
97.06522	1.0
98.21463	0.4
103.05461	0.5
106.06545	0.6
107.07349	0.5
108.04461	0.7
108.08112	3.3
109.02843	0.5
110.06041	0.5
110.09668	4.8
116.04961	2.7
120.04462	1.0
120.07233	0.3
120.08097	4.0
121.06501	0.4
122.06021	5.9
124.07585	4.1
127.03919	0.4
128.06207	0.3
129.06993	0.4
129.10246	0.3
132.04445	0.4
132.08087	0.3
133.05222	0.3
134.05965	1.1
135.06754	0.3
136.07562	7.2
137.05959	0.4
137.08359	0.4
138.05449	0.3
138.09138	6.6
142.07701	0.3
143.08517	0.5
143.59653	0.2
144.03381	0.3
144.04448	5.1
144.08069	0.4
145.05147	0.5
145.10094	0.3
146.05977	2.3
148.03906	0.3
148.07588	2.1
150.05504	1.2
150.09077	0.6
152.07085	1.3
153.06990	0.3
154.06459	0.3
155.07295	0.5
155.08540	0.5
156.08043	0.3
157.10202	0.3
158.05980	0.3
160.03938	1.1
160.07529	0.5
161.07091	0.4
162.05479	3.4
162.09190	0.4
163.03917	0.3
164.07042	0.7
166.08624	12.2
167.07033	1.1
168.08139	0.3
169.08887	0.3
169.10155	0.2
170.09630	2.7
172.03923	35.0
172.07516	0.9
172.09918	0.6
172.11208	1.1
173.04474	0.4
173.07149	0.3
173.08391	0.4
174.05470	1.1
174.09151	0.6
175.03914	0.3
175.08670	1.0
177.05424	0.5
178.04990	0.5
180.08023	0.3
181.05006	0.3
181.08783	0.3
183.06813	0.6
184.07536	0.8
184.11212	0.7
186.09084	0.6
186.11461	0.3
187.08693	0.5
187.12296	3.9
188.07060	0.3
188.10733	0.3
189.10284	0.2
190.04973	7.9
192.06488	0.3
193.04980	0.3
194.08087	0.6
196.07552	0.3
197.08430	0.4
197.10747	0.5
198.09138	21.8
199.08617	0.5
199.12311	0.4
200.09399	1.9
200.10760	1.7
201.10274	0.3
201.13780	0.4
202.08640	0.3
204.06548	52.0
205.06966	0.7
206.08122	0.4
207.06537	0.4
210.09149	0.4
211.12312	0.3
212.07289	0.3
212.10785	4.2
213.06570	0.4
213.10228	0.6
214.08644	0.4
214.10817	0.3
215.11780	17.9
216.10143	0.5
223.08580	0.3
223.12358	0.3
225.10178	1.2
226.08650	6.1
226.10800	0.4
227.08186	1.0
227.11797	2.4
228.08868	1.0
229.09752	0.8
229.13283	1.1
230.10399	0.5
231.11298	0.8
234.09192	0.3
236.09425	0.4
237.10359	0.5
239.11830	0.9
240.10355	3.0
241.09717	2.2
241.13393	1.7
242.10303	1.5
243.11272	100.0
244.11687	1.7
249.10226	0.3
251.11801	0.7
253.09697	1.1
255.11278	9.8
256.11993	0.6
257.12833	5.4
258.11041	0.2
265.09708	0.6
267.11349	0.4
269.09256	0.9
269.12656	0.4
273.12360	0.4
279.11273	1.2
281.09125	0.2
281.12637	0.4
283.10669	1.0
284.11499	0.6
285.12314	88.9
286.12637	1.6
293.09033	0.4
296.11438	0.4
297.09106	0.3
297.12308	1.4
298.13193	0.6
299.13916	0.5
301.11844	7.6
302.12534	0.6
303.13364	99.4
304.13766	1.5
307.10712	0.8
313.11884	0.7
315.09674	0.5
325.11740	6.3
327.13696	0.3
329.11453	0.3
329.14938	0.6
334.09210	0.4
339.13525	0.8
342.12378	0.4
343.12955	2.2
352.77472	0.2
357.14444	9.9
358.15302	1.5
359.15979	1.4
370.15729	0.3
381.11240	0.3
383.13870	0.4
385.15427	0.3
388.16354	0.2
394.17154	0.2
400.16571	0.6
414.14865	0.3
416.16058	0.3
418.17453	1.3
428.15842	0.7
429.14487	0.5
430.17529	1.3
444.15723	0.5
446.17151	0.3
456.15341	0.4
458.16672	0.3
462.16687	2.7
470.17154	2.1
474.16531	2.8
476.18161	2.9
487.17056	1.8
488.17899	0.8
494.19275	2.0
506.19284	0.6
519.19733	0.8
536.19946	0.4
565.24408	0.4
581.23529	0.3
583.25519	5.1
595.25494	0.4
599.25079	2.1
609.23645	1.2
623.24719	0.5
627.24445	14.2
628.24591	0.6
641.26031	9.7
642.25598	0.6
659.27228	1.6
803.31006	1.2
821.30334	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.3
65.03945	0.8
67.05504	1.0
69.03435	2.0
69.07066	0.5
69.72275	0.4
70.06596	2.5
71.59872	0.7
72.08147	0.7
79.05481	1.7
80.04984	0.4
81.03402	1.6
81.07028	0.9
82.06577	0.7
84.04498	0.6
84.08127	0.7
85.02908	2.4
86.09700	1.7
89.03911	0.4
91.05466	1.6
93.07037	2.0
94.06550	2.8
95.04933	0.7
95.07314	0.7
95.08609	0.7
96.08121	3.8
97.02878	1.1
97.06539	0.8
103.05466	0.7
105.07021	0.9
106.06551	0.8
107.04955	0.6
107.07322	0.8
108.04452	1.0
108.08108	3.4
109.08880	0.4
110.06059	0.4
110.07204	0.6
110.09679	4.3
111.02006	0.4
116.04970	2.7
118.06532	0.5
120.04462	0.6
120.08095	4.9
122.06017	5.1
122.09663	0.6
124.07587	4.2
127.03915	0.7
128.06293	0.4
131.04890	0.5
132.08145	0.4
133.05202	0.6
134.06000	0.9
136.07567	9.0
137.05963	1.1
137.08325	0.8
138.09145	6.8
144.04449	5.6
145.02820	0.6
145.04889	0.4
145.06467	0.5
145.10080	0.6
146.06033	2.8
146.09634	0.7
148.07588	2.5
149.05957	0.5
150.05493	0.9
150.09164	0.6
152.07057	1.1
155.08551	0.7
156.08113	0.5
157.08928	0.5
158.05927	0.5
158.09695	0.5
160.03906	1.5
160.07593	0.8
162.05481	3.8
163.03961	0.8
164.07083	0.7
166.08632	11.8
167.07060	1.3
170.09633	3.5
172.03928	34.6
172.07579	1.1
172.09848	0.8
172.11189	1.6
173.04378	0.7
174.05536	1.6
175.08664	1.1
177.05484	0.7
182.09665	0.5
183.06787	0.7
184.07576	0.6
184.11224	0.7
186.09167	1.3
187.12311	4.9
188.10701	0.6
190.04967	7.7
193.04930	0.6
194.08148	0.8
197.10686	0.6
198.09140	21.8
199.09749	0.6
199.12265	0.8
200.09187	2.0
200.10959	0.8
204.06557	53.3
205.06898	0.7
207.06514	0.9
210.09003	0.4
212.09154	0.4
212.10748	5.2
214.08719	0.4
214.10805	0.5
215.11798	18.7
216.10155	0.8
223.12103	0.6
225.10179	2.0
226.08664	6.5
226.10889	0.5
227.08200	1.2
227.11778	3.1
228.08762	1.0
229.09612	0.9
229.13362	1.2
231.09111	0.9
231.11171	0.5
237.10121	0.8
239.11803	1.1
240.10428	2.4
241.09750	1.8
241.13438	1.9
242.10452	2.0
243.11279	100.0
244.11621	2.6
245.18420	0.4
249.10103	0.9
251.07687	0.4
251.11746	1.0
253.09683	1.1
255.08937	0.6
255.11273	9.6
256.12057	0.9
257.12817	5.8
265.09586	0.9
267.11169	1.0
268.09589	0.7
269.09244	1.7
271.10959	0.4
278.10403	0.5
279.11234	2.2
283.10727	1.0
284.11536	0.5
285.12320	87.7
286.12653	2.1
297.12134	2.1
298.12967	0.6
301.11810	7.7
301.15097	0.8
302.12680	0.4
303.13376	99.9
304.13641	1.9
307.10754	1.1
313.11560	0.9
315.09662	0.6
323.10071	0.4
325.11826	6.7
329.15085	0.6
334.09003	0.6
339.09515	0.6
339.13406	0.6
341.15662	0.5
343.12784	2.0
351.09467	0.8
357.14487	9.9
358.15253	1.8
359.16019	1.5
363.18256	0.5
371.12473	0.5
375.18393	0.9
381.19431	1.6
385.15607	0.5
393.19730	1.9
399.15054	0.6
411.20618	0.6
413.14340	0.5
416.15714	0.6
417.14536	0.9
418.17648	1.9
428.15948	0.6
430.17542	0.7
444.15744	0.5
446.16507	0.6
456.15363	0.5
458.17252	0.5
462.16592	3.3
470.17004	2.4
474.16687	2.9
476.18188	3.5
487.16904	1.5
488.17892	1.0
494.19528	2.2
494.26147	0.4
504.17963	0.7
506.19110	0.5
519.19525	0.7
536.19940	2.2
539.85028	0.4
555.24866	2.1
573.25763	10.7
574.25134	0.5
583.25525	5.6
599.24634	1.6
609.23199	1.1
613.26270	0.6
615.27649	0.6
623.24597	0.8
627.24487	16.4
628.24823	0.9
641.25952	10.6
659.26617	1.6
698.25879	0.5
699.25848	1.0
803.30731	1.4
821.33002	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98824	4.5
61.02930	5.2
67.05503	44.4
69.03429	30.6
69.07066	25.2
70.06570	4.3
71.60285	5.2
79.05497	48.3
81.03429	35.3
81.07060	100.0
83.08614	17.0
85.02901	71.2
87.00837	25.6
91.05468	33.7
93.07036	73.1
95.04966	16.5
95.08607	79.7
95.31743	4.8
97.02904	26.8
97.10143	6.9
99.04447	13.8
103.05456	6.9
105.01859	21.9
105.07025	63.7
107.04966	56.6
107.08588	92.4
108.05270	8.2
109.02886	37.2
109.06509	7.7
109.10147	64.1
115.05421	5.7
117.07011	11.0
119.08582	68.8
121.06507	6.0
121.10146	49.4
123.04451	10.1
123.11704	24.6
125.47411	4.6
127.03934	64.8
129.07005	13.7
131.04938	12.4
131.08575	22.2
133.06465	12.9
133.10149	26.3
134.06870	4.7
135.11653	31.8
136.07608	10.3
137.06012	6.0
138.65527	4.6
145.04955	17.2
145.06551	7.7
145.10124	25.3
147.04424	8.0
147.11687	35.7
149.13255	45.5
157.06483	10.8
159.02898	16.9
159.11710	34.9
161.05998	8.2
161.13271	36.2
163.14796	30.0
167.07036	88.0
168.07405	17.4
172.05148	6.5
173.05824	12.9
173.13258	15.7
175.14859	26.9
177.05450	6.7
177.16393	13.4
181.04968	29.4
182.05341	6.9
184.05196	5.7
185.05725	6.0
187.07600	5.9
187.14844	13.1
189.16397	16.6
191.03276	7.2
191.06960	6.0
201.16443	17.1
203.17952	18.3
215.17917	36.0
217.08821	5.6
218.05695	5.2
230.05815	9.0
230.61629	4.9
231.05023	12.5
231.10152	13.2
233.08017	37.5
234.08463	8.7
236.08252	5.5
245.08084	97.0
246.08510	49.0
247.07298	6.3
248.07904	6.3
249.05579	5.0
253.48193	5.0
263.06784	10.7
264.07657	8.0
266.05524	4.8
271.24161	65.7
279.10132	7.5
280.10559	5.8
287.10135	10.5
288.10651	8.3
289.25104	7.3
292.07187	11.2
293.07706	9.9
305.08167	5.3
305.11349	20.9
306.11707	12.8
307.09604	11.8
324.09537	6.5
336.09637	10.3
339.12161	11.5
340.12915	7.4
352.09299	7.2
353.10138	7.0
353.14542	4.7
367.11740	22.0
368.12033	15.5
384.12149	5.9
385.12305	5.9
385.16748	8.5
399.14383	45.6
400.14719	42.7
401.15695	10.0
402.16318	7.2
417.15384	11.5
418.16000	8.1
585.15320	5.5
592.22809	6.0
610.23389	24.9
657.44244	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	819.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68062	0.8
65.03941	2.0
67.05506	1.3
69.03417	2.6
69.07069	1.4
70.06583	1.2
71.59706	1.2
78.04715	2.2
79.05481	8.4
81.07056	2.9
85.02897	2.9
91.05463	4.2
93.07038	2.4
95.04950	3.1
95.08601	2.1
97.02888	1.5
103.05440	2.4
105.04570	1.3
105.07023	3.7
107.04950	31.3
107.08553	1.4
109.02841	0.8
109.10151	1.2
115.05466	1.9
117.06982	1.9
119.08590	3.4
121.06492	1.6
121.10082	1.1
123.04438	2.2
123.24259	0.8
124.05195	4.5
125.06000	2.0
127.03920	1.6
128.06213	2.3
129.06989	4.6
131.04922	3.6
131.08556	1.5
133.06502	4.6
136.07564	1.6
137.05942	2.0
144.05753	1.2
145.06471	3.9
145.10214	1.5
147.04402	2.2
147.08014	1.5
148.07500	0.9
151.07611	0.8
152.04651	2.0
155.04900	1.4
156.05678	2.1
157.06435	5.3
159.04303	0.9
159.08084	2.4
159.11732	1.5
160.05188	0.9
161.06000	2.0
161.13324	1.0
163.03885	0.9
163.07510	1.3
167.07031	49.1
171.06519	1.0
172.05234	3.9
173.05978	4.3
174.06650	0.8
176.04723	0.9
179.07005	1.4
181.04953	18.4
181.06514	1.5
181.08560	0.8
184.05205	4.3
185.05969	3.6
187.07506	1.8
189.09082	1.5
191.03430	3.7
191.07011	2.7
195.06490	2.7
200.04640	1.5
200.40326	0.8
201.05455	1.8
202.06207	1.9
203.06906	1.2
205.06644	1.1
205.08604	2.2
207.06444	1.9
207.08167	0.8
212.04730	2.5
213.05461	2.2
215.08553	1.0
217.08641	7.6
218.05563	5.1
218.07399	2.4
219.06271	1.3
219.08060	3.6
219.10011	1.8
221.05997	2.0
230.05727	4.1
231.08134	1.5
233.08025	27.8
234.06644	1.5
235.07574	2.9
236.08322	1.5
245.08081	100.0
246.06636	2.4
246.08733	1.3
247.07477	5.0
247.09708	4.4
248.08344	1.4
249.05504	2.4
249.09111	2.4
251.10776	1.4
260.08395	1.5
261.09116	2.1
263.06717	4.1
263.09412	3.9
264.07678	4.6
265.08557	1.9
274.06183	1.3
275.07062	2.8
277.05338	1.3
277.08597	4.0
278.09369	1.5
279.07211	1.1
279.10129	6.2
280.07050	1.3
281.08170	1.3
287.10345	0.9
288.07712	1.3
289.08624	2.3
291.06506	2.3
291.09814	1.3
292.07291	4.2
293.08020	4.4
294.05225	1.0
295.09579	0.9
305.08020	1.4
305.11130	1.7
306.08871	2.3
307.09552	9.0
308.07031	1.4
308.10330	1.5
309.07516	5.2
309.10745	1.1
320.06711	1.5
321.07455	2.4
321.11023	1.2
322.04868	1.0
322.08438	1.5
323.09119	3.0
324.09918	3.9
325.10620	1.0
335.09100	5.5
337.07022	3.2
337.10654	1.2
338.11438	1.1
339.12216	12.8
351.08688	1.6
352.09256	4.1
353.10248	2.7
355.11835	0.9
367.11752	20.2
368.12408	3.4
369.09665	2.3
371.14996	3.4
381.13287	2.3
384.12048	4.6
387.14331	1.3
399.14365	51.2
400.14688	0.9
401.15912	11.1
417.15414	17.0
419.16809	1.3
459.27255	1.3
460.27942	2.1
485.17953	3.6
591.21991	4.7
609.23254	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.6
67.05485	1.4
69.03410	0.9
70.06568	1.7
70.24581	1.3
70.24994	1.3
77.03863	0.6
78.04692	1.6
79.05486	10.1
81.03399	1.4
81.07027	1.4
84.08151	0.6
85.02879	1.7
86.09675	1.0
91.05479	3.5
93.03391	0.6
95.04955	3.3
95.08598	0.8
97.02867	0.7
97.06537	0.7
103.05440	1.9
104.06239	1.1
105.06998	2.3
106.04179	1.1
107.04946	36.8
107.08530	0.6
109.02794	0.6
109.06557	0.6
110.03656	0.7
112.71956	0.5
115.05437	2.6
117.06987	2.0
119.04952	1.1
119.08547	1.3
120.08052	0.8
121.06490	0.9
122.03647	0.6
123.04416	4.4
124.05199	4.2
125.05999	4.0
127.03883	1.4
128.06198	3.5
129.06999	4.6
131.04898	4.0
131.08562	1.1
132.05684	0.9
133.06502	4.5
134.03609	0.6
135.04391	0.5
137.05954	1.6
138.03096	0.9
138.09161	0.5
141.06998	0.9
142.02660	0.8
143.04893	0.9
144.05667	1.6
145.06485	4.8
147.04395	1.9
147.08060	2.1
149.05984	0.7
151.03862	1.1
152.04681	2.4
153.05469	1.4
155.04881	1.0
155.05986	1.2
156.05637	2.7
157.06488	7.4
159.04390	1.3
159.05612	0.6
159.08035	1.5
161.05956	2.0
163.03918	1.4
167.07027	58.8
169.06436	0.6
171.04497	0.6
171.06549	1.4
172.05173	4.0
173.05981	3.7
174.06750	1.6
175.07529	2.1
176.04692	1.0
177.05466	1.9
179.06987	2.3
179.08394	0.5
181.04944	20.6
181.08434	1.2
184.05183	4.9
185.05952	4.5
186.06784	1.0
187.03836	0.9
187.07538	2.1
189.05472	0.8
189.07297	0.6
189.09116	1.3
190.06187	0.8
190.07745	0.8
191.03415	3.0
191.07002	3.9
191.08484	1.2
192.07854	0.6
193.04910	0.7
193.08557	1.0
195.06604	2.8
195.07988	0.5
200.04662	2.2
201.05429	2.0
202.06213	2.3
203.06929	1.1
203.08696	1.1
204.07738	0.6
205.06607	1.0
205.08548	2.4
207.06508	1.6
208.08896	0.8
209.08028	1.0
212.04628	2.7
213.05429	2.2
215.03290	0.8
215.08632	1.0
216.07695	0.7
217.08580	7.4
218.05525	5.1
218.07314	1.7
219.06421	1.5
219.08037	4.3
219.10175	1.6
220.08885	0.7
221.06013	1.2
223.07576	0.9
227.06990	0.8
230.05661	5.8
231.06310	0.9
231.08217	1.2
233.08018	27.1
234.06621	1.0
235.07503	3.1
235.09668	0.8
236.08194	2.8
237.05301	0.6
243.07892	0.6
245.08075	100.0
246.06664	2.1
246.08632	1.5
247.07475	5.6
247.09663	4.7
248.08318	1.0
249.05519	2.4
249.09111	2.1
250.06052	1.0
251.06844	0.7
251.10658	1.1
253.08478	0.5
259.07407	1.0
260.04553	0.7
260.08237	1.1
261.05304	0.5
261.08963	3.8
262.06198	1.4
263.06708	5.4
263.09402	4.4
264.07751	6.1
265.08633	2.4
274.06308	2.1
275.06964	3.3
276.07800	2.1
277.05011	1.7
277.08554	2.5
278.05676	0.8
278.09433	1.4
279.06897	1.0
279.10107	7.4
280.07327	0.9
281.08002	3.0
289.05606	0.6
289.08423	2.4
290.05884	0.6
290.09262	0.9
291.06531	4.0
291.09497	0.8
292.07263	6.0
293.08008	4.1
294.05145	1.3
294.08469	0.7
295.06180	0.7
295.09644	1.7
296.10464	1.5
303.06409	0.7
304.07257	0.8
305.04626	0.7
305.08090	2.1
306.08746	3.5
307.06171	0.8
307.09586	10.4
308.06744	1.3
308.10355	2.4
309.07568	5.5
309.10919	0.9
310.08163	0.6
311.09534	0.5
311.12842	1.4
319.06183	0.9
319.09637	0.7
320.06689	1.9
320.10260	0.9
321.07565	2.1
321.11172	1.7
322.08209	1.4
323.05786	0.6
323.08923	2.8
324.09857	3.6
325.10602	2.0
331.08105	1.2
334.08167	0.9
335.09119	5.6
336.06155	0.7
336.09805	1.3
337.06979	4.2
337.10736	1.3
338.07779	1.1
338.11331	1.4
339.08362	1.2
339.12265	14.1
340.12662	0.7
341.10101	1.8
342.10757	0.7
344.12646	0.8
346.10428	0.6
349.10489	1.1
351.08554	1.7
351.12384	0.9
352.09412	4.0
353.10147	4.2
366.10837	1.0
367.11749	22.4
368.12653	3.3
369.09525	2.5
371.11093	0.6
371.15021	4.2
381.13278	2.1
383.14929	1.4
384.11847	4.8
385.12442	1.0
387.14313	2.1
399.14343	53.7
400.14670	2.1
401.15939	10.9
417.15396	16.3
418.15814	0.7
419.16904	1.4
485.17844	3.6
591.22156	4.6
609.23260	22.5
610.23523	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42189	1.5
69.29920	9.9
69.30332	3.9
155.11691	1.3
159.71385	1.6
174.23868	1.2
224.16660	1.2
277.10779	1.2
278.93350	1.2
311.24704	1.3
315.31094	1.4
334.34879	1.5
500.84518	1.4
649.25372	1.5
796.04169	1.4
811.43854	100.0
812.43909	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	813.4905
Annotation	Glabrin C
Peak:m/z	Relative Intensity
61.22067	1.0
63.00815	1.0
71.59496	1.3
112.54343	1.4
218.53363	1.1
324.63260	1.2
325.88574	1.3
364.53461	1.0
528.17194	1.1
535.26862	2.2
813.49066	100.0
814.48975	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	808.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
70.03161	3.4
70.06591	0.8
79.05484	2.6
80.07183	0.6
81.03400	0.8
81.56500	0.7
83.73580	0.7
86.09662	0.6
91.05470	2.7
93.07030	1.7
95.04959	1.5
103.05455	46.0
105.07026	18.9
107.04945	19.2
109.49078	0.6
109.64680	0.6
110.07791	0.6
111.44726	0.6
115.05434	3.1
115.31872	0.6
117.06992	0.7
119.04933	2.7
119.08584	0.7
120.08049	0.6
121.06522	4.8
121.10149	0.8
123.04383	1.2
131.04918	100.0
132.05356	0.6
132.16490	0.7
133.06483	24.6
137.05977	2.5
145.02861	1.6
145.06473	0.7
147.04399	4.6
147.08026	3.2
148.05150	1.2
149.05968	7.1
152.04643	0.8
153.05521	0.9
155.07056	0.8
157.06407	1.0
159.04411	2.4
159.08112	0.9
161.05969	32.4
163.07532	43.9
167.07027	21.9
167.08157	0.4
171.07999	0.9
172.05251	1.2
175.07536	2.4
176.04655	1.1
177.05447	19.8
178.05653	0.6
179.07013	7.1
181.08614	1.0
187.06050	0.7
187.07561	4.1
191.07030	10.4
193.08621	4.1
199.07538	10.1
207.06468	0.7
209.08073	37.4
217.08615	2.6
218.07112	0.7
219.08104	0.7
227.09125	18.3
235.07494	1.2
237.02844	1.0
261.09103	1.3
267.10135	1.6
281.11945	0.9
289.08527	0.9
321.11218	4.8
323.09210	0.6
323.12906	1.0
341.13861	2.2
353.13834	8.7
401.15897	1.4
472.47061	0.7
542.25940	0.7
632.64319	0.7
709.96906	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.6192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06786	1.5
57.07072	30.7
69.06728	0.9
69.07050	5.3
69.35696	7.1
71.08224	1.5
71.08627	31.2
73.02909	1.3
73.06548	10.0
80.94194	0.8
83.08625	5.8
85.09708	1.4
85.10178	17.0
87.04463	12.6
89.06026	100.0
91.07552	1.2
97.10146	4.9
98.21498	1.7
99.11733	2.5
106.84752	0.8
107.07047	4.8
111.11687	2.8
112.41377	0.9
113.06037	1.0
113.13272	1.6
115.07568	1.1
117.09125	9.7
125.13270	1.3
127.14797	2.0
130.08620	4.4
131.07005	3.3
133.08595	53.4
135.10149	1.7
141.16391	1.6
155.17870	1.3
161.11694	2.6
175.09599	2.0
177.11215	21.8
187.10872	0.8
195.06332	0.9
196.81985	0.8
204.75589	0.7
211.24199	2.3
221.13846	3.2
244.21521	0.7
255.26877	2.1
261.65317	0.8
264.25449	0.8
265.16422	1.0
277.53342	0.7
283.17490	1.8
299.29498	6.0
317.56808	0.9
327.20218	1.2
343.32062	2.7
596.41949	0.9
750.77032	1.0
801.60016	1.6
818.61249	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	806.5405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	16.1
67.05207	3.6
67.05501	32.5
69.07048	11.2
71.59822	4.7
71.60244	7.1
71.60619	3.3
79.05486	31.6
81.07051	39.0
83.08615	6.2
85.06506	4.0
89.70926	3.4
91.05481	39.1
93.07042	34.2
95.04988	5.1
95.08590	28.9
95.46739	3.6
104.01038	3.5
105.07020	24.2
107.08582	19.3
109.06498	5.5
109.10146	9.3
117.07014	11.2
119.08556	22.4
121.10136	15.4
131.08539	19.8
133.10117	6.7
135.11679	7.2
137.76755	3.1
145.10112	9.3
147.11745	4.9
159.11694	8.8
164.90651	3.8
170.61797	3.8
173.13255	4.9
201.16321	3.7
219.17416	100.0
256.59509	3.9
275.20151	9.1
302.27850	3.4
335.25745	45.2
349.23706	14.7
391.15881	4.0
609.45148	68.2
610.45551	6.3
773.42261	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	806.5831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	32.0
58.61179	0.6
59.04989	0.8
67.05499	1.9
69.03432	1.0
69.07066	1.8
71.04977	0.5
71.08633	21.8
73.02901	1.9
73.06556	11.6
74.02438	0.9
79.05489	1.3
81.03379	0.7
81.07055	2.1
83.08616	2.5
85.10182	19.3
87.04465	14.9
89.06031	100.0
91.05461	1.0
91.07599	1.0
93.07072	1.4
95.08600	0.8
97.10163	2.6
99.11720	3.8
105.06959	0.6
107.07066	5.1
111.11685	0.8
113.06046	1.0
113.13309	1.8
117.09122	10.3
130.08656	2.8
131.07051	3.4
133.08601	48.5
135.10147	1.4
146.04520	1.5
155.17924	4.1
161.11749	3.1
163.07176	2.1
175.09689	1.8
177.11217	22.4
186.25224	0.6
192.17410	0.6
199.20555	3.5
221.13855	3.5
239.14893	1.4
240.23279	0.8
242.70261	0.5
243.23190	7.0
283.17569	1.3
287.25717	4.3
309.19287	0.9
327.20261	0.9
333.13333	0.6
335.26016	1.3
371.23444	0.9
480.70865	0.6
618.92664	0.7
789.54675	0.9
806.41455	0.8
806.58063	2.0
807.43549	1.2
809.56378	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30304	0.3
65.03955	0.8
67.05502	0.4
68.99792	0.7
69.86782	1.9
70.06593	0.4
71.01347	0.5
77.03919	0.6
78.04710	1.6
79.05482	3.2
81.03440	0.3
81.07066	1.1
89.03905	2.9
91.05479	5.5
93.03391	0.4
93.07023	0.9
95.04959	2.2
102.04688	0.5
103.05463	24.5
104.06233	0.4
105.03387	1.8
105.04494	0.5
105.07027	29.7
106.03448	0.6
106.04171	12.1
107.04951	7.1
114.92949	0.3
115.05457	6.5
117.03371	6.1
117.07019	0.8
118.04173	2.6
119.04935	2.1
121.06495	5.9
123.04394	0.5
128.06241	0.5
129.07011	0.4
130.04167	0.5
131.04926	19.2
131.08627	0.4
132.05719	2.8
133.06488	37.9
134.03621	1.4
135.04419	1.9
137.06006	0.3
143.04967	0.6
143.06036	1.8
144.05710	0.5
145.02863	1.1
145.06465	1.3
146.03630	0.9
147.04384	1.8
147.08044	1.0
148.05212	0.8
149.05975	23.0
151.07539	0.5
152.04631	0.4
159.04443	0.9
159.08040	1.2
160.05171	1.3
161.05975	74.1
162.06645	1.4
163.07468	0.8
165.05446	0.7
167.06989	2.6
173.05954	0.5
175.07552	1.0
176.04709	0.6
177.05463	100.0
178.05879	0.8
179.07031	2.1
179.08443	0.4
181.04951	0.6
187.07527	1.5
189.05484	0.5
191.06966	3.3
192.07793	3.1
193.08598	98.6
194.08957	0.7
200.04562	0.5
207.06534	3.9
209.08052	1.2
215.07025	4.2
221.09668	0.5
249.09015	0.8
261.53833	0.4
276.07852	0.5
277.08463	0.8
291.09988	0.5
319.09579	0.5
337.10675	8.2
350.96689	0.3
369.13309	11.6
380.90628	0.3
480.62195	0.5
664.69086	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
63.65535	0.8
63.72898	0.8
67.05503	3.9
69.03442	0.9
70.06577	2.0
71.59141	1.0
78.04713	1.8
79.05492	10.9
81.01024	0.7
81.07062	1.5
85.02905	1.9
86.09714	0.9
91.05483	4.3
93.07030	1.5
95.04976	2.8
97.10177	1.0
103.05466	3.9
104.06200	0.7
105.03390	0.9
105.04487	0.8
105.07036	9.1
107.04349	1.1
107.04955	24.3
109.02936	0.8
115.05468	7.0
117.06995	6.9
119.04911	1.2
121.06494	1.9
123.04422	5.9
124.05225	3.8
125.06006	1.9
128.06227	10.6
129.06981	2.6
131.04929	2.3
131.08569	1.1
133.06496	12.3
135.04356	0.8
137.05989	1.7
139.05438	1.5
139.07588	0.8
141.06999	4.4
143.06046	1.2
143.08571	6.3
144.05647	1.2
145.06499	11.9
147.04369	1.5
147.08035	0.9
149.05994	1.2
151.03860	1.5
152.04773	0.9
152.06200	4.7
153.05656	1.6
153.06985	13.3
155.05969	1.3
155.07043	2.6
156.05655	4.4
159.08067	1.4
161.06001	12.4
162.03033	0.9
167.07042	100.0
168.05644	1.3
169.06470	2.6
170.07271	2.2
171.08041	19.4
173.04584	1.6
173.05989	18.1
175.07463	1.4
179.07024	1.9
181.05025	1.3
181.06465	2.6
181.08656	9.4
183.04448	1.2
183.08046	0.9
184.05223	3.3
185.09535	0.9
187.07555	2.9
190.06332	0.8
191.07021	2.8
193.08655	7.0
197.06017	1.3
198.06776	0.9
199.07535	30.5
200.08215	1.4
205.08598	20.7
207.08087	1.2
211.07544	1.7
214.06230	1.1
216.07758	4.3
217.08589	5.8
218.07298	1.8
218.88536	1.0
219.08040	2.4
219.10223	3.2
225.05409	0.8
231.10156	62.3
233.09691	2.0
235.07462	1.9
236.08237	0.9
237.13286	0.9
239.07011	1.0
247.07532	1.4
249.11314	4.5
261.09067	2.5
263.07092	1.8
263.12875	0.9
265.08517	1.8
265.12082	0.9
267.10321	1.1
275.10730	0.9
276.07809	0.9
277.08429	1.1
278.09457	1.5
279.06604	0.9
279.09930	1.1
283.09705	1.0
285.07568	3.5
289.08591	1.1
293.11755	3.5
307.09604	1.3
319.11694	1.5
321.11096	4.1
323.09100	1.0
325.10632	1.5
325.14304	2.2
328.09265	1.9
329.10107	1.8
330.11127	0.9
332.12512	15.5
339.12393	1.2
343.11731	3.4
344.12524	2.0
353.13766	12.6
354.14624	1.1
357.13339	3.0
385.16470	37.5
585.80151	0.9
591.11462	1.3
614.98376	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.7
57.03424	1.1
61.02923	0.6
61.08698	0.5
61.12279	0.5
65.03945	1.2
67.05501	0.9
69.03439	2.6
69.07032	0.5
70.06577	1.1
70.73146	1.6
73.02904	0.5
79.05484	2.3
80.05024	0.7
81.03413	2.1
82.06578	0.6
83.64056	0.5
85.02898	3.9
89.03940	0.9
90.27504	0.5
91.05469	1.8
92.04991	1.2
93.05757	1.1
93.07050	2.9
94.06563	6.2
95.04986	0.9
95.07354	2.2
95.08614	0.8
96.08134	5.3
96.36817	0.6
97.02892	1.9
97.06535	0.6
99.04411	0.8
102.51411	0.5
103.05444	1.1
105.67886	0.5
106.06551	1.5
107.07294	1.2
108.04478	2.4
108.08114	9.4
109.02938	0.7
110.09676	7.7
115.05425	0.7
116.04988	2.1
117.07032	0.8
118.06528	1.3
120.03731	0.5
120.04462	3.5
120.08105	8.2
122.06026	5.7
122.09687	1.2
124.07597	5.6
127.03914	1.1
134.06000	2.8
136.07576	11.0
137.05959	0.6
138.09125	12.3
144.04445	4.8
145.55069	0.6
146.06012	6.3
147.04330	0.6
148.07579	3.8
150.05547	0.8
150.08063	0.6
150.09084	2.7
152.07056	1.6
158.09636	1.0
160.03918	3.0
162.05510	5.3
163.03883	0.7
164.07066	2.5
166.08632	16.7
167.07042	8.0
170.08318	0.6
172.03932	24.2
172.07549	1.1
173.06003	1.4
174.05521	2.3
176.07021	3.6
181.04964	2.7
182.09747	1.1
183.09184	0.6
184.10010	0.7
186.09235	0.7
190.04974	18.5
193.04901	1.0
195.09109	0.6
196.07762	0.7
196.09845	0.7
197.10735	2.4
198.09227	0.7
199.08824	0.6
199.12315	1.8
204.06555	42.3
209.10768	1.4
210.09261	1.5
211.08670	2.9
211.12314	1.0
212.09503	1.5
213.10275	0.8
223.08650	0.8
223.12373	0.8
224.09389	1.3
225.10205	9.5
226.10986	1.3
227.11792	14.0
227.13930	1.0
228.11990	0.6
236.09496	2.3
237.10219	3.4
238.11041	1.7
239.08241	0.6
239.11749	4.8
241.09723	1.6
241.13423	1.0
245.12862	1.0
249.10304	2.3
250.11041	0.9
251.08041	1.2
251.11880	4.0
252.08690	0.6
253.09709	6.4
254.10587	0.9
255.11229	1.6
257.12973	0.6
261.10306	1.3
263.08231	1.6
263.11801	1.2
264.08926	3.5
265.09711	3.2
266.10547	0.8
267.11227	3.2
269.12866	18.0
271.10730	9.1
273.12311	3.6
277.09778	2.1
278.10370	0.8
279.11255	4.7
280.11975	0.6
281.09482	1.0
281.12772	1.2
283.10785	6.1
284.11508	4.4
285.12427	4.9
286.13281	0.9
287.13882	13.7
289.09894	0.7
291.11368	0.7
294.10028	0.9
295.10843	2.0
297.12375	9.5
299.14130	4.1
300.11703	0.8
302.13193	1.2
305.09308	0.9
307.10782	2.2
309.12253	1.2
311.10587	0.7
312.12143	0.7
312.15231	1.2
313.12500	1.8
314.13010	2.3
315.13754	1.6
316.11124	1.0
316.14520	2.2
321.12253	1.0
323.10211	7.7
325.11807	21.0
326.12979	0.8
326.16559	1.4
327.13690	3.6
327.17270	1.1
328.10791	2.7
328.14603	3.2
329.11603	1.2
329.15225	1.3
330.12570	1.0
330.15994	2.9
331.16846	2.1
334.09491	0.7
337.11563	0.7
339.13889	1.0
340.14554	1.4
341.11673	2.0
341.15335	1.0
342.12393	7.9
342.16122	1.3
343.12976	8.9
343.16754	1.1
344.17596	1.1
345.46848	0.7
353.12009	0.9
354.12643	1.5
354.16409	1.3
355.13632	1.8
356.13992	6.4
357.14484	16.9
357.18777	1.0
358.15475	3.4
365.11353	1.3
366.16177	1.1
367.13461	1.7
368.14056	0.8
369.10883	0.8
369.15265	1.2
370.11798	1.1
370.15604	5.3
371.16263	2.0
372.17145	1.5
378.18063	1.3
380.14194	1.2
382.11630	4.2
383.12402	2.8
384.13193	5.2
384.16977	0.9
385.14148	2.4
386.14902	2.3
386.19174	3.2
387.15637	1.5
388.16833	0.9
390.18277	3.5
394.15497	1.2
397.15646	1.1
398.14978	19.8
398.19980	1.2
399.15775	26.9
400.16586	3.1
402.18182	2.2
404.15955	6.3
412.16516	2.4
414.18240	4.6
416.16016	18.5
417.15552	3.6
422.17023	2.1
428.15808	4.3
430.17670	3.9
440.16141	7.4
441.14529	1.7
446.17093	12.4
458.17090	32.5
460.18546	1.0
461.18271	0.7
469.15936	0.9
476.18167	0.7
478.19562	2.0
487.17065	8.8
489.19406	0.7
490.19629	10.6
520.20471	1.0
522.22681	0.8
539.26459	0.6
565.24512	1.6
567.25763	1.2
569.24176	4.5
583.25543	1.6
593.23932	7.4
594.22705	1.0
611.24982	100.0
612.24951	3.2
620.22217	0.9
626.25140	3.1
643.27771	9.6
682.26788	0.7
745.31128	1.1
755.30054	1.0
773.30273	18.3
774.30823	0.8
805.31274	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.7
57.03424	1.1
61.02923	0.6
61.08698	0.5
61.12279	0.5
65.03945	1.2
67.05501	0.9
69.03439	2.6
69.07032	0.5
70.06577	1.1
70.73146	1.6
73.02904	0.5
79.05484	2.3
80.05024	0.7
81.03413	2.1
82.06578	0.6
83.64056	0.5
85.02898	3.9
89.03940	0.9
90.27504	0.5
91.05469	1.8
92.04991	1.2
93.05757	1.1
93.07050	2.9
94.06563	6.2
95.04986	0.9
95.07354	2.2
95.08614	0.8
96.08134	5.3
96.36817	0.6
97.02892	1.9
97.06535	0.6
99.04411	0.8
102.51411	0.5
103.05444	1.1
105.67886	0.5
106.06551	1.5
107.07294	1.2
108.04478	2.4
108.08114	9.4
109.02938	0.7
110.09676	7.7
115.05425	0.7
116.04988	2.1
117.07032	0.8
118.06528	1.3
120.03731	0.5
120.04462	3.5
120.08105	8.2
122.06026	5.7
122.09687	1.2
124.07597	5.6
127.03914	1.1
134.06000	2.8
136.07576	11.0
137.05959	0.6
138.09125	12.3
144.04445	4.8
145.55069	0.6
146.06012	6.3
147.04330	0.6
148.07579	3.8
150.05547	0.8
150.08063	0.6
150.09084	2.7
152.07056	1.6
158.09636	1.0
160.03918	3.0
162.05510	5.3
163.03883	0.7
164.07066	2.5
166.08632	16.7
167.07042	8.0
170.08318	0.6
172.03932	24.2
172.07549	1.1
173.06003	1.4
174.05521	2.3
176.07021	3.6
181.04964	2.7
182.09747	1.1
183.09184	0.6
184.10010	0.7
186.09235	0.7
190.04974	18.5
193.04901	1.0
195.09109	0.6
196.07762	0.7
196.09845	0.7
197.10735	2.4
198.09227	0.7
199.08824	0.6
199.12315	1.8
204.06555	42.3
209.10768	1.4
210.09261	1.5
211.08670	2.9
211.12314	1.0
212.09503	1.5
213.10275	0.8
223.08650	0.8
223.12373	0.8
224.09389	1.3
225.10205	9.5
226.10986	1.3
227.11792	14.0
227.13930	1.0
228.11990	0.6
236.09496	2.3
237.10219	3.4
238.11041	1.7
239.08241	0.6
239.11749	4.8
241.09723	1.6
241.13423	1.0
245.12862	1.0
249.10304	2.3
250.11041	0.9
251.08041	1.2
251.11880	4.0
252.08690	0.6
253.09709	6.4
254.10587	0.9
255.11229	1.6
257.12973	0.6
261.10306	1.3
263.08231	1.6
263.11801	1.2
264.08926	3.5
265.09711	3.2
266.10547	0.8
267.11227	3.2
269.12866	18.0
271.10730	9.1
273.12311	3.6
277.09778	2.1
278.10370	0.8
279.11255	4.7
280.11975	0.6
281.09482	1.0
281.12772	1.2
283.10785	6.1
284.11508	4.4
285.12427	4.9
286.13281	0.9
287.13882	13.7
289.09894	0.7
291.11368	0.7
294.10028	0.9
295.10843	2.0
297.12375	9.5
299.14130	4.1
300.11703	0.8
302.13193	1.2
305.09308	0.9
307.10782	2.2
309.12253	1.2
311.10587	0.7
312.12143	0.7
312.15231	1.2
313.12500	1.8
314.13010	2.3
315.13754	1.6
316.11124	1.0
316.14520	2.2
321.12253	1.0
323.10211	7.7
325.11807	21.0
326.12979	0.8
326.16559	1.4
327.13690	3.6
327.17270	1.1
328.10791	2.7
328.14603	3.2
329.11603	1.2
329.15225	1.3
330.12570	1.0
330.15994	2.9
331.16846	2.1
334.09491	0.7
337.11563	0.7
339.13889	1.0
340.14554	1.4
341.11673	2.0
341.15335	1.0
342.12393	7.9
342.16122	1.3
343.12976	8.9
343.16754	1.1
344.17596	1.1
345.46848	0.7
353.12009	0.9
354.12643	1.5
354.16409	1.3
355.13632	1.8
356.13992	6.4
357.14484	16.9
357.18777	1.0
358.15475	3.4
365.11353	1.3
366.16177	1.1
367.13461	1.7
368.14056	0.8
369.10883	0.8
369.15265	1.2
370.11798	1.1
370.15604	5.3
371.16263	2.0
372.17145	1.5
378.18063	1.3
380.14194	1.2
382.11630	4.2
383.12402	2.8
384.13193	5.2
384.16977	0.9
385.14148	2.4
386.14902	2.3
386.19174	3.2
387.15637	1.5
388.16833	0.9
390.18277	3.5
394.15497	1.2
397.15646	1.1
398.14978	19.8
398.19980	1.2
399.15775	26.9
400.16586	3.1
402.18182	2.2
404.15955	6.3
412.16516	2.4
414.18240	4.6
416.16016	18.5
417.15552	3.6
422.17023	2.1
428.15808	4.3
430.17670	3.9
440.16141	7.4
441.14529	1.7
446.17093	12.4
458.17090	32.5
460.18546	1.0
461.18271	0.7
469.15936	0.9
476.18167	0.7
478.19562	2.0
487.17065	8.8
489.19406	0.7
490.19629	10.6
520.20471	1.0
522.22681	0.8
539.26459	0.6
565.24512	1.6
567.25763	1.2
569.24176	4.5
583.25543	1.6
593.23932	7.4
594.22705	1.0
611.24982	100.0
612.24951	3.2
620.22217	0.9
626.25140	3.1
643.27771	9.6
682.26788	0.7
745.31128	1.1
755.30054	1.0
773.30273	18.3
774.30823	0.8
805.31274	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
61.02913	1.0
65.03935	1.9
67.05482	1.0
69.03429	3.8
69.07061	0.4
69.95343	0.3
70.06591	2.5
71.04962	0.5
71.59245	0.6
72.73978	0.3
73.02930	0.5
78.04715	0.5
79.05494	1.5
80.05027	1.1
81.03406	2.0
81.07063	0.9
82.06561	0.7
84.08139	1.1
85.02894	4.7
86.09708	0.9
89.03921	1.1
91.05488	2.9
92.05006	0.6
93.05760	0.8
93.07053	2.6
94.06561	5.7
95.04964	1.5
95.07346	1.3
95.08559	0.3
96.04515	0.4
96.08123	4.5
97.02874	2.3
97.06547	0.5
99.04440	0.6
103.05449	1.7
105.03360	0.5
105.07041	0.7
106.04153	0.6
106.06555	1.4
107.04972	1.2
107.07356	0.5
107.08597	0.5
107.18143	0.3
108.04498	2.4
108.08106	8.5
109.02876	0.8
110.03712	0.5
110.06062	0.7
110.07148	0.4
110.09673	6.4
115.05451	1.6
116.04950	1.7
117.07033	2.0
117.07730	0.3
118.06544	1.0
119.04906	0.4
120.04469	3.1
120.08091	6.9
121.06510	0.9
122.06019	5.8
122.09682	1.3
123.04427	2.1
124.05228	0.8
124.07571	5.9
125.06062	0.3
127.03916	0.9
129.10304	0.5
131.04921	0.7
132.04413	0.4
132.08104	0.4
134.06001	2.7
135.11736	0.4
136.07570	9.6
137.05980	0.9
138.05511	0.7
138.09122	8.7
142.02679	0.5
144.04443	3.8
145.02844	0.3
145.05289	0.5
145.06496	3.7
146.05991	5.7
146.07047	0.5
148.07550	3.6
149.05984	1.3
150.05550	0.6
150.09106	1.6
151.03880	0.4
151.07518	0.7
152.04631	0.7
152.07063	2.1
158.06038	0.3
158.09660	0.4
159.04446	0.4
160.03961	3.1
160.05150	0.5
160.07576	0.5
161.05988	0.7
162.05496	3.8
163.03911	0.7
164.07037	2.1
165.05492	0.6
166.08629	16.7
167.07037	22.4
171.06544	0.8
172.03920	21.4
172.07622	1.0
173.05963	4.5
174.05499	2.0
174.09157	0.5
175.03912	0.4
175.07571	0.5
176.07034	3.0
177.05449	1.6
178.04980	0.5
180.08022	0.4
181.04950	17.2
182.09683	0.9
183.09099	0.7
184.09944	0.9
184.11336	0.5
186.05530	0.4
187.08768	0.4
188.07033	0.6
190.04976	16.9
191.07060	0.8
192.06697	0.4
193.08687	0.7
196.07553	0.4
196.09982	0.5
197.10825	2.2
198.09334	0.4
199.08685	0.8
199.12321	2.1
201.05453	0.7
203.07051	1.2
204.06548	41.3
205.06967	0.4
205.08681	1.7
207.06461	0.8
208.09904	0.6
209.08141	0.9
209.10823	1.4
210.09215	1.3
211.08696	3.3
211.12172	0.4
212.09236	1.7
213.10216	1.2
214.10910	0.6
217.08580	0.5
219.06525	0.7
221.10762	0.7
223.08730	1.0
223.12294	1.0
224.09462	1.3
225.10223	8.8
226.08838	0.3
226.10843	0.7
227.11781	12.1
229.13345	0.5
233.08092	2.8
233.10263	0.5
234.08873	1.0
235.09785	1.6
236.09283	1.6
237.10332	2.9
238.10983	1.6
239.11795	4.1
240.12569	0.5
241.09792	1.6
241.13370	0.8
243.11296	0.6
245.12915	1.1
248.09492	0.5
249.10191	2.4
250.10994	0.9
251.08018	1.0
251.11806	3.2
252.08943	0.5
252.12584	0.4
253.09715	5.8
253.13431	0.7
254.10365	0.4
255.11414	2.1
257.12946	0.7
259.14420	0.5
261.10248	0.5
263.08228	1.1
263.11783	0.9
264.08862	3.1
265.09818	2.4
266.10526	1.1
267.08508	0.4
267.11240	3.3
269.12827	15.9
270.10129	0.5
271.10754	8.5
273.12354	4.4
275.12067	0.4
277.09799	2.3
278.10468	0.5
279.11258	5.5
280.12045	0.5
281.09283	1.3
281.12860	2.1
282.10065	0.4
283.10751	6.0
284.11450	4.8
285.12408	4.6
286.13138	0.8
287.13879	12.3
289.13196	0.4
291.11020	0.7
293.09271	0.9
294.09988	0.6
295.10812	1.6
296.11578	0.6
297.12329	8.9
299.14017	4.2
300.11578	0.8
300.14984	0.6
301.12820	0.5
302.12964	0.8
305.09125	0.4
307.10748	2.5
308.11371	0.4
309.12219	1.7
310.08459	0.4
310.13504	0.6
311.10330	0.9
311.14233	0.5
312.15018	1.0
313.13120	1.9
314.12750	2.4
315.13818	2.0
316.10974	0.9
316.14499	1.8
317.15430	0.6
319.10907	0.5
321.08624	0.7
321.12247	1.0
323.10217	6.2
324.15036	0.4
325.11783	18.0
326.12775	1.0
326.16574	1.0
327.13510	3.3
327.17386	1.1
328.10757	2.4
328.14526	2.2
329.15134	1.5
330.12408	0.8
330.16028	2.0
331.13254	0.5
331.16827	1.5
334.09344	0.4
337.11774	0.7
339.13623	1.4
340.10947	0.5
340.14584	0.6
341.12012	1.0
341.15839	0.4
342.12399	6.4
342.16162	1.1
343.12946	9.1
343.16870	0.5
344.13977	1.5
344.17831	0.9
347.20822	0.4
352.14661	0.7
354.12506	0.9
354.16183	1.2
355.13007	1.9
355.17346	0.4
356.09717	0.6
356.13919	5.8
357.14435	18.1
358.15430	3.9
358.19342	0.4
365.11307	1.3
365.21884	0.5
366.11969	0.5
366.16049	0.6
367.13162	0.8
369.10931	0.5
369.15335	1.2
370.11667	0.6
370.15601	4.2
371.16608	1.6
372.13049	0.5
372.17160	1.3
377.21417	0.4
378.18124	1.7
380.13943	1.3
381.12225	0.4
382.11700	4.2
383.12524	2.5
384.13391	3.9
384.17407	0.7
385.12985	9.2
386.14615	2.4
386.19159	2.8
387.14798	1.2
388.16730	0.6
390.17987	4.3
390.22714	0.4
394.15634	1.3
395.14774	0.4
395.23132	0.7
396.17627	0.4
397.15634	0.9
398.14987	19.4
399.15768	27.8
400.16525	2.4
402.18170	1.4
403.14178	1.0
404.15973	5.0
412.16635	2.8
413.17026	0.4
414.18158	4.7
415.13663	1.8
416.16003	19.4
417.15552	4.5
422.17212	2.8
428.16016	3.4
430.17651	3.3
431.18359	0.5
440.16064	6.3
441.14771	1.1
446.17065	11.4
448.18634	0.8
458.17087	29.1
459.17505	0.9
460.18637	0.8
469.15817	0.6
476.18369	0.7
478.19794	1.8
487.17090	7.0
490.19669	9.1
505.17899	0.9
519.19562	0.7
520.20837	0.8
522.22473	0.6
523.23120	0.5
525.24744	0.4
539.26270	0.6
541.24347	0.5
547.23260	0.5
551.22839	0.5
557.29059	4.9
565.24292	1.9
567.26636	1.6
569.23932	4.6
575.23212	0.4
583.25275	1.8
586.48773	0.4
593.23920	7.6
595.24896	0.4
611.24963	100.0
612.25549	1.7
620.22461	0.5
625.25421	0.5
626.24609	1.5
643.26300	12.5
650.24139	1.7
682.25934	0.8
727.29517	0.5
729.30969	0.6
731.29218	0.9
745.30396	0.9
755.29175	1.2
761.17834	0.4
761.35077	0.7
773.30225	19.2
805.32300	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	805.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
61.02913	1.0
65.03935	1.9
67.05482	1.0
69.03429	3.8
69.07061	0.4
69.95343	0.3
70.06591	2.5
71.04962	0.5
71.59245	0.6
72.73978	0.3
73.02930	0.5
78.04715	0.5
79.05494	1.5
80.05027	1.1
81.03406	2.0
81.07063	0.9
82.06561	0.7
84.08139	1.1
85.02894	4.7
86.09708	0.9
89.03921	1.1
91.05488	2.9
92.05006	0.6
93.05760	0.8
93.07053	2.6
94.06561	5.7
95.04964	1.5
95.07346	1.3
95.08559	0.3
96.04515	0.4
96.08123	4.5
97.02874	2.3
97.06547	0.5
99.04440	0.6
103.05449	1.7
105.03360	0.5
105.07041	0.7
106.04153	0.6
106.06555	1.4
107.04972	1.2
107.07356	0.5
107.08597	0.5
107.18143	0.3
108.04498	2.4
108.08106	8.5
109.02876	0.8
110.03712	0.5
110.06062	0.7
110.07148	0.4
110.09673	6.4
115.05451	1.6
116.04950	1.7
117.07033	2.0
117.07730	0.3
118.06544	1.0
119.04906	0.4
120.04469	3.1
120.08091	6.9
121.06510	0.9
122.06019	5.8
122.09682	1.3
123.04427	2.1
124.05228	0.8
124.07571	5.9
125.06062	0.3
127.03916	0.9
129.10304	0.5
131.04921	0.7
132.04413	0.4
132.08104	0.4
134.06001	2.7
135.11736	0.4
136.07570	9.6
137.05980	0.9
138.05511	0.7
138.09122	8.7
142.02679	0.5
144.04443	3.8
145.02844	0.3
145.05289	0.5
145.06496	3.7
146.05991	5.7
146.07047	0.5
148.07550	3.6
149.05984	1.3
150.05550	0.6
150.09106	1.6
151.03880	0.4
151.07518	0.7
152.04631	0.7
152.07063	2.1
158.06038	0.3
158.09660	0.4
159.04446	0.4
160.03961	3.1
160.05150	0.5
160.07576	0.5
161.05988	0.7
162.05496	3.8
163.03911	0.7
164.07037	2.1
165.05492	0.6
166.08629	16.7
167.07037	22.4
171.06544	0.8
172.03920	21.4
172.07622	1.0
173.05963	4.5
174.05499	2.0
174.09157	0.5
175.03912	0.4
175.07571	0.5
176.07034	3.0
177.05449	1.6
178.04980	0.5
180.08022	0.4
181.04950	17.2
182.09683	0.9
183.09099	0.7
184.09944	0.9
184.11336	0.5
186.05530	0.4
187.08768	0.4
188.07033	0.6
190.04976	16.9
191.07060	0.8
192.06697	0.4
193.08687	0.7
196.07553	0.4
196.09982	0.5
197.10825	2.2
198.09334	0.4
199.08685	0.8
199.12321	2.1
201.05453	0.7
203.07051	1.2
204.06548	41.3
205.06967	0.4
205.08681	1.7
207.06461	0.8
208.09904	0.6
209.08141	0.9
209.10823	1.4
210.09215	1.3
211.08696	3.3
211.12172	0.4
212.09236	1.7
213.10216	1.2
214.10910	0.6
217.08580	0.5
219.06525	0.7
221.10762	0.7
223.08730	1.0
223.12294	1.0
224.09462	1.3
225.10223	8.8
226.08838	0.3
226.10843	0.7
227.11781	12.1
229.13345	0.5
233.08092	2.8
233.10263	0.5
234.08873	1.0
235.09785	1.6
236.09283	1.6
237.10332	2.9
238.10983	1.6
239.11795	4.1
240.12569	0.5
241.09792	1.6
241.13370	0.8
243.11296	0.6
245.12915	1.1
248.09492	0.5
249.10191	2.4
250.10994	0.9
251.08018	1.0
251.11806	3.2
252.08943	0.5
252.12584	0.4
253.09715	5.8
253.13431	0.7
254.10365	0.4
255.11414	2.1
257.12946	0.7
259.14420	0.5
261.10248	0.5
263.08228	1.1
263.11783	0.9
264.08862	3.1
265.09818	2.4
266.10526	1.1
267.08508	0.4
267.11240	3.3
269.12827	15.9
270.10129	0.5
271.10754	8.5
273.12354	4.4
275.12067	0.4
277.09799	2.3
278.10468	0.5
279.11258	5.5
280.12045	0.5
281.09283	1.3
281.12860	2.1
282.10065	0.4
283.10751	6.0
284.11450	4.8
285.12408	4.6
286.13138	0.8
287.13879	12.3
289.13196	0.4
291.11020	0.7
293.09271	0.9
294.09988	0.6
295.10812	1.6
296.11578	0.6
297.12329	8.9
299.14017	4.2
300.11578	0.8
300.14984	0.6
301.12820	0.5
302.12964	0.8
305.09125	0.4
307.10748	2.5
308.11371	0.4
309.12219	1.7
310.08459	0.4
310.13504	0.6
311.10330	0.9
311.14233	0.5
312.15018	1.0
313.13120	1.9
314.12750	2.4
315.13818	2.0
316.10974	0.9
316.14499	1.8
317.15430	0.6
319.10907	0.5
321.08624	0.7
321.12247	1.0
323.10217	6.2
324.15036	0.4
325.11783	18.0
326.12775	1.0
326.16574	1.0
327.13510	3.3
327.17386	1.1
328.10757	2.4
328.14526	2.2
329.15134	1.5
330.12408	0.8
330.16028	2.0
331.13254	0.5
331.16827	1.5
334.09344	0.4
337.11774	0.7
339.13623	1.4
340.10947	0.5
340.14584	0.6
341.12012	1.0
341.15839	0.4
342.12399	6.4
342.16162	1.1
343.12946	9.1
343.16870	0.5
344.13977	1.5
344.17831	0.9
347.20822	0.4
352.14661	0.7
354.12506	0.9
354.16183	1.2
355.13007	1.9
355.17346	0.4
356.09717	0.6
356.13919	5.8
357.14435	18.1
358.15430	3.9
358.19342	0.4
365.11307	1.3
365.21884	0.5
366.11969	0.5
366.16049	0.6
367.13162	0.8
369.10931	0.5
369.15335	1.2
370.11667	0.6
370.15601	4.2
371.16608	1.6
372.13049	0.5
372.17160	1.3
377.21417	0.4
378.18124	1.7
380.13943	1.3
381.12225	0.4
382.11700	4.2
383.12524	2.5
384.13391	3.9
384.17407	0.7
385.12985	9.2
386.14615	2.4
386.19159	2.8
387.14798	1.2
388.16730	0.6
390.17987	4.3
390.22714	0.4
394.15634	1.3
395.14774	0.4
395.23132	0.7
396.17627	0.4
397.15634	0.9
398.14987	19.4
399.15768	27.8
400.16525	2.4
402.18170	1.4
403.14178	1.0
404.15973	5.0
412.16635	2.8
413.17026	0.4
414.18158	4.7
415.13663	1.8
416.16003	19.4
417.15552	4.5
422.17212	2.8
428.16016	3.4
430.17651	3.3
431.18359	0.5
440.16064	6.3
441.14771	1.1
446.17065	11.4
448.18634	0.8
458.17087	29.1
459.17505	0.9
460.18637	0.8
469.15817	0.6
476.18369	0.7
478.19794	1.8
487.17090	7.0
490.19669	9.1
505.17899	0.9
519.19562	0.7
520.20837	0.8
522.22473	0.6
523.23120	0.5
525.24744	0.4
539.26270	0.6
541.24347	0.5
547.23260	0.5
551.22839	0.5
557.29059	4.9
565.24292	1.9
567.26636	1.6
569.23932	4.6
575.23212	0.4
583.25275	1.8
586.48773	0.4
593.23920	7.6
595.24896	0.4
611.24963	100.0
612.25549	1.7
620.22461	0.5
625.25421	0.5
626.24609	1.5
643.26300	12.5
650.24139	1.7
682.25934	0.8
727.29517	0.5
729.30969	0.6
731.29218	0.9
745.30396	0.9
755.29175	1.2
761.17834	0.4
761.35077	0.7
773.30225	19.2
805.32300	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	805.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.7
61.02924	0.6
65.03948	1.0
67.05511	1.0
69.03426	2.6
70.06599	0.9
70.94400	1.3
79.05495	1.4
80.05025	0.6
81.03447	1.1
81.07052	3.5
82.06567	0.7
82.30180	0.5
85.02895	2.9
85.29967	0.4
89.03899	0.6
91.05494	1.4
93.05789	0.6
93.07037	1.7
94.06557	4.6
95.04972	0.5
95.07345	1.4
95.08612	1.3
96.08128	4.2
97.02888	1.8
98.97522	0.5
99.04441	0.6
103.05482	0.6
105.07028	0.5
106.06528	1.0
107.04902	0.6
107.07317	0.8
108.04505	1.7
108.08120	6.9
109.02912	0.9
110.09677	5.4
116.04927	2.7
118.06561	0.5
120.04461	3.0
120.08098	5.6
122.06023	4.9
122.09660	1.2
124.07585	5.4
127.03925	1.2
132.04472	0.7
134.05998	2.8
136.07574	9.5
137.06050	0.5
137.13261	0.6
138.05501	0.6
138.09135	8.7
144.04442	3.7
146.05997	6.4
148.07547	3.6
150.09186	1.0
151.03876	0.4
152.07094	1.8
160.03932	2.6
162.05524	3.1
164.07115	1.5
166.08632	12.6
167.07106	0.9
172.03926	23.1
174.05515	1.7
176.07079	3.1
181.05058	0.5
182.09734	0.7
183.09190	0.6
183.92046	0.5
184.09863	0.8
186.09146	0.5
190.04985	16.4
197.10782	1.7
198.09235	0.6
199.08771	0.8
199.12325	1.2
204.06551	38.7
205.06931	1.1
207.09225	0.6
209.10762	1.1
210.07690	0.8
210.09416	0.8
210.11438	0.5
211.08624	3.1
212.09451	1.6
213.10197	1.2
221.10814	0.9
222.07619	0.7
223.08661	0.9
223.12392	1.0
224.09476	1.2
225.10236	7.6
227.11765	10.6
228.12463	0.5
236.09328	2.2
237.10158	3.2
238.11028	1.8
239.11780	3.3
241.09767	1.4
241.13333	0.7
243.11385	0.6
245.12965	0.5
249.10214	2.3
250.10860	0.7
251.08047	0.7
251.11832	2.6
253.09787	4.9
253.13348	0.8
254.10481	0.5
255.11279	1.3
257.12939	0.6
261.10205	0.6
263.08160	0.8
263.11902	0.9
264.08887	2.9
265.09766	2.3
266.10602	1.0
267.11230	2.6
268.08710	0.4
269.12823	13.0
271.10742	8.5
273.12350	4.4
277.09644	2.1
278.10541	0.8
279.11246	4.7
280.12231	0.8
281.09509	0.9
281.12827	2.1
283.10797	5.5
284.11536	4.0
285.12415	4.3
286.13080	1.4
287.13889	12.3
291.11105	0.6
293.09186	0.7
293.12872	0.8
294.09982	0.6
295.10910	1.7
296.11975	0.7
297.12363	7.3
298.13620	0.6
299.14038	4.4
300.11670	0.5
300.15182	0.6
307.10776	2.5
309.12326	0.8
311.10431	0.5
311.14194	0.6
312.15042	1.6
313.12500	1.8
314.13000	1.6
315.13745	2.0
316.11133	1.0
316.14548	1.4
318.16113	0.5
321.08743	0.6
321.12027	0.8
323.10208	6.3
323.13553	0.7
324.15317	0.6
325.11838	17.2
326.12753	1.0
326.16522	1.6
327.13611	2.4
327.17416	0.9
328.10782	2.2
328.14505	2.9
329.11746	0.7
329.15271	1.6
330.12540	1.0
330.16083	1.5
331.16888	1.9
334.09192	0.8
337.11893	0.6
339.13751	1.0
340.14520	0.6
341.11807	1.5
342.12372	7.1
342.16016	1.0
343.12985	8.0
343.16870	0.4
344.13861	1.3
345.14618	0.5
352.14542	0.8
354.12381	1.2
354.16116	1.0
355.13159	2.2
355.17270	0.6
356.13855	6.5
356.17697	0.6
357.14478	18.6
358.15366	4.0
365.11490	0.9
366.11795	0.5
366.16107	0.9
367.13239	1.0
368.14008	1.0
368.18021	0.7
369.11148	0.5
369.15637	0.9
370.11639	0.8
370.15518	4.6
371.16171	1.6
372.17017	1.1
378.18146	1.2
380.14050	1.5
382.11737	4.0
383.12802	1.8
384.13071	3.7
384.16989	0.9
385.13986	2.3
386.14075	2.2
386.19382	2.4
388.16501	1.5
390.18079	3.3
394.15411	0.8
396.17310	0.7
397.14529	0.9
398.14984	17.6
399.15756	24.5
400.16541	2.1
402.18594	1.0
404.15988	4.8
412.16559	2.2
414.18347	3.2
416.16034	17.5
417.16397	1.2
422.17349	2.5
423.14191	0.6
428.15887	2.8
430.17569	3.4
440.16034	6.3
446.17130	8.8
447.17596	0.9
448.18790	0.7
449.19382	0.6
458.17111	26.5
459.17426	1.7
460.18600	1.1
478.19849	2.3
487.17041	7.8
489.19122	0.8
490.19763	9.4
519.20032	0.9
539.26111	0.7
549.24731	0.5
565.24329	1.7
567.26471	1.0
569.23975	4.1
583.25446	1.3
593.23932	6.0
610.23267	0.6
611.24982	100.0
612.25317	4.5
620.22186	0.6
643.27570	13.8
644.27545	0.7
729.30762	0.7
731.30078	0.6
745.30426	0.9
755.29626	1.0
773.30219	23.1
774.30176	0.8
805.33691	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	0.3
57.03413	0.7
57.33137	0.3
61.02908	0.7
62.01550	0.3
65.03659	0.3
65.03941	4.8
67.05489	1.9
69.03135	0.4
69.03428	4.0
70.06590	2.7
71.01314	0.4
71.04959	0.4
71.59454	0.4
73.02906	0.4
78.04329	0.4
78.04705	4.3
79.05471	3.0
81.03399	2.8
81.07077	0.6
82.04174	1.6
83.04993	0.4
84.04474	0.4
84.08130	0.9
85.02899	8.4
86.09691	0.8
87.04474	0.5
89.03889	1.0
91.05463	4.9
93.03372	1.4
93.03896	0.3
93.07024	0.8
94.04190	0.4
95.04970	4.2
96.05735	0.5
97.02892	2.5
97.06530	2.0
97.51018	0.3
99.04437	0.8
101.02374	0.3
101.53310	0.3
103.05464	4.0
105.03360	0.4
105.04502	0.6
105.07005	1.4
106.04179	1.7
107.04951	4.9
107.08627	0.5
108.02077	1.0
109.02844	1.5
109.06499	0.4
110.03654	2.7
111.04421	1.9
115.04666	0.5
115.05438	7.2
117.03397	1.9
117.07007	9.3
118.03592	0.4
119.04952	1.2
119.08547	0.7
120.08087	0.5
121.02942	0.4
121.06480	2.4
122.03684	0.4
123.04415	9.7
124.05209	3.3
124.07628	0.4
125.05975	1.9
127.03900	0.9
127.05411	1.2
129.06941	0.4
130.04111	0.5
131.04913	2.8
132.05673	0.8
133.06468	1.0
134.03630	0.8
135.04399	1.5
135.11714	0.4
136.07550	0.6
137.02344	0.8
137.05954	3.5
138.03078	1.6
139.03915	0.5
139.07491	0.5
140.04675	1.1
142.02644	1.8
143.04881	1.0
144.05673	0.6
145.02847	2.9
145.06471	17.0
146.03226	0.8
147.04399	1.3
147.08005	1.4
148.05151	1.0
149.05965	4.7
151.03917	2.2
151.07532	1.1
152.04710	2.4
153.05455	1.3
155.04832	0.5
155.06017	5.1
155.07117	0.8
158.09654	0.4
159.04385	1.3
160.05215	1.2
161.05986	2.1
163.03909	2.3
163.05032	0.3
163.07484	0.7
164.04576	0.4
164.07065	0.6
165.05464	2.0
165.06729	0.4
167.07024	100.0
168.07372	1.3
171.06512	4.8
172.03900	0.5
173.05972	20.6
174.06607	0.6
175.03908	0.5
175.07523	2.5
176.04694	0.8
177.05464	11.6
178.05789	3.4
179.05818	0.6
179.07181	0.7
181.04938	76.4
182.05289	1.0
183.06500	0.7
184.07472	0.4
185.05896	0.5
187.07423	0.5
188.04585	0.8
189.05420	0.9
190.06267	0.5
191.06979	2.9
191.08484	0.7
192.07645	0.4
193.04933	1.0
193.08583	1.5
195.06541	1.1
201.05417	2.8
203.06996	5.5
205.06682	0.7
205.08546	6.9
207.06459	0.9
207.08171	0.7
207.10155	0.4
209.08043	5.0
209.09827	0.5
213.05544	0.5
215.06958	0.4
217.08582	1.3
219.06380	2.7
219.08339	0.6
221.06082	0.7
221.08115	1.5
222.06705	0.8
223.07692	0.5
231.06538	1.2
233.05884	0.8
233.08061	8.8
234.08832	3.6
235.07553	0.8
235.09639	7.5
235.11815	0.6
236.08250	0.3
237.09044	0.7
239.06940	0.5
243.06549	0.4
247.07556	0.4
249.05400	0.5
249.07666	0.5
250.06259	1.4
251.06920	0.5
263.06943	0.7
263.09363	0.6
264.07877	0.6
265.08517	1.6
267.06448	0.6
267.10049	0.5
277.08517	0.5
279.06363	0.6
280.07339	0.5
281.08087	0.5
282.08875	0.7
283.09677	1.1
292.07300	0.6
293.08008	1.7
294.08875	0.6
295.06097	1.2
295.09607	0.7
297.11075	2.1
299.09320	0.9
303.04977	2.5
304.05298	1.0
305.05475	1.2
307.09741	0.4
309.07504	0.8
310.08289	2.0
311.09180	0.5
323.09283	0.6
325.10654	2.4
326.11563	1.1
327.08670	0.9
327.12183	0.6
329.13916	1.1
329.73038	0.4
337.10828	0.8
338.07657	0.6
342.10870	0.8
353.10248	1.1
354.10645	0.6
355.11920	0.9
357.13318	9.4
365.10361	0.8
367.11798	0.6
370.10791	0.4
371.15219	0.4
372.12100	0.3
385.12781	39.8
386.13303	2.2
387.14322	5.8
397.12668	4.9
398.14005	0.5
399.14685	1.3
403.13824	4.1
415.13828	8.6
416.14752	3.4
417.15408	14.6
418.15933	0.5
577.19153	1.7
595.21552	1.0
611.24823	0.8
625.22815	1.0
643.23792	47.3
644.23889	2.0
805.29010	9.5
806.30615	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.6034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	29.4
62.93744	0.9
63.39450	0.9
63.53306	0.9
67.05506	1.1
69.07081	4.5
70.96714	0.9
71.08630	30.3
73.02896	1.5
73.06554	9.5
81.72696	0.9
83.08611	4.5
85.10176	16.4
87.04456	12.4
89.06028	100.0
91.07570	1.6
97.10178	4.8
98.20708	2.0
99.11719	2.6
107.07087	4.5
111.11677	2.3
113.13250	1.9
117.09129	9.5
125.13265	1.8
127.14838	1.6
128.74191	0.9
130.08632	4.1
131.07028	3.2
133.08597	50.8
135.10225	1.4
139.14882	0.9
161.11717	1.9
175.09656	2.6
177.11221	19.2
197.22678	2.4
203.42836	0.9
221.13843	4.0
241.25259	1.8
244.37798	1.1
269.31451	1.0
283.17230	1.3
285.27988	5.0
329.27032	0.9
329.30521	4.1
623.78278	1.1
787.57813	2.1
804.59912	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	805.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.5
61.02908	1.3
61.36737	0.3
63.17760	0.3
65.03645	0.4
65.03939	4.4
67.05512	2.0
69.03423	4.8
70.06590	5.4
70.85976	0.3
71.04981	0.6
71.59247	0.5
72.08144	0.9
73.02907	0.5
76.42982	0.4
77.03912	0.7
78.04716	3.6
79.05493	2.5
81.03416	2.7
81.07057	0.9
82.04172	1.3
82.89481	0.3
83.04958	0.4
83.06079	0.5
84.04480	0.8
84.08107	1.2
85.02907	9.2
86.09710	1.9
86.40194	0.4
87.04452	0.6
89.03900	0.4
91.04960	0.4
91.05480	5.0
93.03371	1.3
93.07024	1.6
95.04977	3.3
96.08173	0.4
97.02879	2.7
97.06528	1.8
99.04437	0.8
100.11246	0.6
102.04713	0.4
103.05461	4.3
105.03374	0.5
105.06998	1.5
106.04176	2.0
107.04959	5.8
108.02058	0.7
109.02855	1.4
109.06516	0.9
110.03669	2.4
110.07141	1.6
110.09707	0.4
111.04436	2.3
112.78778	0.3
115.05464	6.9
115.36205	0.4
117.03358	1.1
117.06207	0.6
117.07020	8.7
119.04929	1.0
119.08553	0.6
120.08096	4.3
121.02896	0.9
121.06492	3.0
122.03632	0.9
122.06006	0.5
123.00796	0.5
123.04424	9.4
124.05229	3.6
124.07568	0.6
125.05989	2.0
126.05450	0.3
127.03913	1.8
127.05437	0.8
127.08684	0.4
128.06172	0.3
129.06964	1.0
129.10191	0.6
129.67473	0.4
130.04141	0.6
130.05013	0.5
131.04961	3.2
132.05721	0.8
133.02849	0.7
133.06473	1.2
134.03561	1.0
135.04399	1.3
136.07567	0.9
137.05975	3.5
138.03093	1.1
138.09145	0.5
140.04672	1.0
142.02583	1.7
143.04922	1.0
144.05702	0.5
145.02876	1.1
145.06480	14.9
147.04398	1.4
147.07965	1.6
148.05183	1.2
149.05991	4.1
151.03920	2.3
151.07513	1.7
152.04675	2.4
152.07050	0.4
153.05441	1.2
153.10179	0.5
155.04875	0.4
155.06027	4.0
155.07063	0.5
157.06473	0.5
159.04375	1.0
160.05183	1.1
161.05971	1.8
162.06789	0.4
163.03886	2.5
163.07507	0.7
164.07068	0.6
165.05473	1.6
165.10176	0.5
166.02693	0.5
166.08586	0.8
167.07037	100.0
168.07381	1.4
171.04326	0.5
171.06516	5.4
172.03908	0.8
172.05276	0.5
173.05986	20.3
175.03906	0.7
175.07478	3.0
176.04726	1.0
177.05447	5.3
179.07054	0.9
181.04958	79.8
181.08463	1.7
182.05414	0.8
187.07426	0.4
188.04697	0.7
189.05504	0.7
190.04913	0.7
191.06998	4.1
192.07907	0.4
193.04991	1.1
193.08600	1.4
195.06535	1.4
201.05444	3.0
201.20459	0.4
203.07037	5.0
204.06584	1.6
205.06703	0.4
205.08580	6.7
206.07323	0.4
207.06493	1.6
209.08066	4.5
209.09880	0.5
209.16557	0.3
211.07481	0.6
213.05484	0.9
217.04945	0.6
217.08585	1.2
219.06430	2.9
219.08295	0.4
220.07269	0.6
221.06052	0.8
221.08095	1.5
222.06732	0.6
227.11784	1.0
231.06425	1.7
233.05859	1.0
233.08067	9.7
234.06779	0.6
234.08846	4.2
235.07542	0.7
235.09644	7.1
237.09129	1.2
245.08095	0.6
247.07718	0.4
250.06274	1.5
251.06975	1.3
253.08760	0.6
259.09912	0.4
260.16074	0.4
263.06906	0.8
265.08694	1.4
267.06509	0.7
267.10092	0.6
269.12906	0.6
271.09967	0.6
276.13428	1.2
277.08615	0.4
279.06247	0.5
280.07321	0.5
281.08008	0.8
282.08966	0.6
283.09869	1.1
287.13895	0.5
293.07919	2.0
294.08911	0.7
295.06165	0.8
295.09521	0.8
297.11163	2.3
298.12045	0.5
299.09094	0.8
307.09546	0.5
308.06741	0.4
310.08429	2.1
311.09271	0.6
325.10721	2.5
326.11533	1.6
327.08612	0.9
327.12164	0.5
329.13928	1.3
337.10617	0.7
339.08652	0.5
339.12408	0.4
342.11343	1.2
345.13403	0.7
353.10229	1.4
355.11725	0.7
357.13306	10.1
365.10220	0.9
367.11981	1.1
369.13416	0.5
383.11319	0.9
385.12820	35.9
386.13443	2.0
387.14386	5.1
397.12796	5.5
397.16995	0.3
398.14426	0.5
399.14792	2.1
403.13934	4.8
415.13901	7.8
416.14691	4.7
417.15439	12.8
458.17371	1.3
490.19894	0.4
559.17914	0.5
577.20166	1.3
595.21674	1.2
611.24695	2.6
625.22241	0.5
643.23816	51.8
644.24286	1.2
679.51654	0.6
680.51270	0.4
719.94922	0.4
773.29877	0.7
805.28961	9.5
806.28735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	4.4
57.07073	1.1
58.51878	0.8
59.05007	1.1
61.02925	19.5
65.03926	2.9
67.05499	27.4
69.03092	1.2
69.03413	7.5
69.07066	10.4
69.48082	6.5
70.06590	2.7
71.04981	2.9
73.02924	5.4
79.05488	24.3
81.03416	5.7
81.07052	28.3
83.04964	3.5
83.08617	8.8
83.80660	1.0
85.02901	22.5
85.06514	2.2
86.09694	1.1
87.00810	0.8
87.04489	1.0
90.24365	1.0
91.03948	10.6
91.05476	31.1
93.07036	23.2
95.04975	6.0
95.08601	17.3
97.02881	15.6
97.06511	4.3
97.10169	2.5
98.20798	2.2
98.97563	1.4
99.04429	1.7
101.06019	0.8
103.05451	2.4
105.07023	25.2
107.04922	5.8
107.08586	11.2
107.79072	1.0
109.02872	2.5
109.06504	4.9
109.10129	6.8
110.07129	1.1
111.04480	1.6
111.08080	2.1
115.03944	1.7
115.05441	3.1
116.06247	1.7
117.07007	21.8
119.04906	2.4
119.08576	13.7
121.06487	3.9
121.10123	6.7
123.04423	0.9
123.08070	3.6
123.11736	1.7
125.09641	2.6
127.03915	6.4
128.06204	5.6
129.06998	24.9
130.07787	1.5
131.04883	2.8
131.08563	30.5
133.06522	6.1
133.10123	10.1
135.04480	1.1
135.08046	4.2
135.11682	4.5
137.05974	2.0
139.07561	1.0
139.11209	1.6
141.06979	10.6
142.07729	3.1
143.08548	21.6
145.04918	4.7
145.06448	4.9
145.10114	12.4
147.08037	4.2
147.11711	4.3
149.06100	1.0
149.09589	4.5
149.13251	2.5
151.11195	1.8
153.06978	2.2
154.07806	1.4
155.08554	18.5
157.06487	3.0
157.10109	13.5
159.08047	4.1
159.11676	11.8
161.05952	1.5
161.09583	2.7
161.13213	1.6
163.03857	1.0
163.06006	1.8
163.11189	2.2
165.06944	2.1
165.09105	1.1
165.12723	1.6
166.07767	2.0
167.07054	2.6
167.08568	8.0
169.10083	9.9
171.08022	3.5
171.11687	6.5
172.03908	2.2
173.05994	1.7
173.09653	2.9
173.13254	2.6
175.07622	1.3
175.11134	4.5
177.12767	5.2
178.07770	1.1
179.08553	3.4
180.09395	1.0
181.05009	1.6
181.10115	9.9
183.08102	1.2
183.11700	6.1
185.09576	2.8
185.13260	5.4
187.07524	1.3
187.11177	2.4
187.14868	2.4
189.12735	2.7
191.07042	1.4
191.10692	1.0
191.14262	1.1
192.09401	1.0
193.08560	1.0
193.10127	3.8
193.11826	0.9
195.11703	9.4
197.09618	1.7
197.13185	5.2
199.11153	1.9
199.14790	2.6
201.12740	1.9
204.06558	2.6
205.10196	1.8
205.24884	1.0
206.10861	1.2
207.11725	2.9
207.13712	1.5
209.13255	6.5
211.14832	3.2
213.12737	1.5
213.16422	2.1
215.14410	1.7
221.13193	6.6
223.14761	7.2
225.12807	2.8
225.16451	1.7
227.14348	1.0
233.15401	3.3
235.14798	2.5
237.16408	1.4
239.14323	3.7
241.15897	2.5
241.77257	1.0
243.13835	2.4
245.15268	1.1
249.16377	1.0
253.15903	2.8
257.15350	3.5
259.16986	2.6
267.17520	1.6
269.15329	1.4
271.16855	4.5
283.16742	1.3
285.18408	2.4
305.22626	1.5
315.20996	1.6
323.23639	4.6
333.22122	10.2
341.24808	5.2
351.23169	36.1
352.23129	1.4
357.14227	1.5
369.24286	29.3
383.14685	1.4
387.25305	35.6
388.25729	1.0
405.26233	1.8
425.26993	1.9
443.27899	24.1
461.28952	100.0
462.29227	2.8
479.29987	15.8
521.30670	1.2
569.31384	1.3
605.33551	2.1
623.34033	2.5
641.34778	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	803.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	4.8
59.04994	1.1
60.13081	1.0
61.02924	34.0
65.03941	4.2
67.05500	30.2
69.03423	9.1
69.07071	11.0
69.29933	12.1
70.06594	3.1
71.04991	3.0
73.02910	9.9
79.05490	27.2
80.05018	1.6
81.03423	9.1
81.07050	33.7
83.04976	4.6
83.08611	11.5
85.02898	37.5
85.06538	3.1
86.09711	1.2
87.04452	1.2
91.03947	19.4
91.05476	44.6
93.07038	28.9
94.06571	4.5
95.04970	8.8
95.07354	1.6
95.08601	22.3
96.08135	3.0
97.02888	26.6
97.06522	5.2
97.10172	2.9
99.04425	2.6
99.08094	1.8
101.02367	1.2
103.05470	4.0
105.03423	1.4
105.07026	30.4
106.06522	1.5
107.04932	7.7
107.07407	1.5
107.08582	13.6
108.08092	8.7
109.02874	3.2
109.06532	7.9
109.10130	6.5
110.09682	6.1
111.04432	1.6
111.08072	2.9
115.03969	1.2
115.05442	3.9
116.04974	1.8
117.07013	26.8
119.04962	2.3
119.08575	18.1
120.04491	2.5
120.08089	5.7
121.06486	8.8
121.10132	11.5
122.06019	8.0
122.09677	2.2
123.08067	3.9
123.11687	1.6
124.07603	4.2
127.03901	8.0
128.06219	6.5
129.06995	26.6
130.07809	1.8
131.04950	2.5
131.08562	35.7
133.06462	6.8
133.10118	14.9
134.05945	1.1
135.08076	6.4
135.11696	4.0
136.07574	15.7
137.05997	2.0
137.09586	2.6
138.09142	8.7
139.11183	1.4
141.06982	12.0
142.07736	3.8
143.08556	23.2
144.04460	3.6
145.04958	6.8
145.06442	8.2
145.10114	19.7
146.06021	11.1
147.08041	6.8
147.11661	6.3
148.07558	3.5
149.05977	1.4
149.08505	1.0
149.09546	5.7
149.13266	4.3
150.09180	4.2
151.07520	1.4
151.11136	1.8
152.07085	1.9
153.06931	2.9
154.07747	1.9
155.08542	21.1
156.08041	1.6
157.06485	3.4
157.10133	15.3
158.06049	1.8
159.08067	6.9
159.11687	16.2
160.03931	1.6
161.06006	1.9
161.09619	5.7
161.13246	2.5
162.05505	6.3
163.03925	1.7
163.06020	4.2
163.07442	1.2
163.11191	4.4
164.07039	1.9
165.07030	3.0
166.08702	9.9
167.07063	5.3
167.08574	9.8
168.09346	1.7
169.10110	14.2
170.09633	2.6
170.10878	1.2
171.08060	4.0
171.11653	8.8
172.03940	17.1
172.07541	2.0
172.09959	1.1
173.05911	1.3
173.09540	5.5
173.13275	4.7
174.05426	5.1
175.04025	1.3
175.11143	5.2
175.14880	1.7
177.05487	1.3
177.12737	6.4
179.08534	5.6
180.09329	1.5
181.10115	10.7
183.07964	1.5
183.11658	9.7
185.09644	3.2
185.13237	7.5
186.09145	1.4
187.10959	1.6
187.12376	3.0
187.14835	2.1
189.12762	2.8
190.04947	6.9
191.10672	1.7
193.10173	4.2
195.11708	11.6
197.08202	1.3
197.09679	2.1
197.13229	8.0
198.07536	2.2
198.09164	20.5
199.11140	1.9
199.14833	3.5
200.09309	2.3
201.12802	2.9
203.14362	1.9
204.06570	28.8
205.10254	1.5
206.08003	1.3
207.11679	5.1
209.13203	7.1
210.09177	1.2
211.08733	1.5
211.10985	1.4
211.14824	5.6
212.10704	4.7
213.10323	2.9
213.12708	2.9
215.11823	14.6
215.14354	3.2
219.11742	1.8
219.13812	1.7
221.13242	8.5
223.14838	6.5
225.10472	2.2
225.12715	2.8
225.16396	2.7
226.08627	5.1
226.10701	1.3
227.08092	2.2
227.11804	7.4
227.14023	1.4
229.15820	2.8
231.13890	1.3
233.13280	3.1
235.14763	5.1
236.09410	2.0
237.10397	1.3
237.16455	2.7
239.11986	1.6
239.14290	5.9
240.08571	1.9
240.10544	2.2
241.09760	12.2
241.13530	2.2
241.15936	3.6
242.10500	3.6
243.11296	79.5
244.09608	1.3
244.11816	2.1
245.15450	1.3
249.16449	2.0
251.11841	2.2
251.14276	1.8
253.09731	2.4
253.13387	1.2
253.15863	2.5
255.11290	29.4
256.12048	2.5
257.12799	7.5
257.15411	5.1
259.16965	2.7
264.08844	2.2
267.11127	1.7
267.17407	1.5
269.09082	4.6
271.16925	5.5
279.07895	1.1
279.11295	4.9
281.09152	1.1
281.12695	2.5
283.10748	18.0
283.17188	1.5
284.11392	2.7
285.12323	74.9
286.12799	3.3
291.10425	1.6
293.08276	1.7
295.10648	2.5
297.12329	4.7
299.13962	1.6
301.11752	3.0
302.12531	1.2
303.13397	8.9
305.22632	2.4
307.10681	3.4
307.18933	5.1
311.10229	1.4
315.08621	2.1
315.21094	2.1
321.08881	1.4
323.23615	5.1
325.11850	10.8
330.10947	4.1
333.22156	12.9
339.13135	2.8
341.14896	1.7
341.24741	6.2
343.12683	4.2
351.23138	48.6
357.14487	5.6
359.15985	3.0
359.25702	1.7
369.24243	46.3
383.14871	3.9
387.25250	35.3
393.14536	2.2
405.26022	1.9
409.13953	1.5
411.15759	6.3
414.14413	1.6
425.26779	3.7
427.14954	8.1
429.16565	10.1
441.25125	1.2
443.27933	56.5
444.15625	1.3
445.16165	6.1
447.17624	9.7
456.15527	3.1
459.24890	1.2
461.28958	100.0
462.29214	1.9
473.15897	1.5
477.26691	1.5
479.30045	35.6
531.29681	1.7
569.30634	2.0
582.18445	1.6
587.32001	2.4
588.19489	3.7
600.19464	1.3
605.33112	3.3
606.20776	1.8
609.23254	2.7
623.33936	3.3
641.25989	1.6
641.35486	3.7
669.25751	1.5
689.26239	2.7
707.26495	3.2
727.28821	1.3
735.26550	4.5
743.29474	1.5
753.27789	7.2
754.26691	1.7
767.28992	1.3
771.28479	16.8
772.29059	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24879	1.6
67.05508	4.3
67.69296	1.7
69.03433	2.6
70.06582	5.9
71.59805	2.9
79.05472	5.2
80.13183	1.7
81.03424	6.7
81.07058	5.0
82.06586	2.1
85.02882	7.3
86.09706	4.0
89.03938	2.1
89.16147	1.7
91.05477	5.1
93.07028	4.5
94.06541	5.6
95.04968	4.0
95.08603	2.4
96.08125	6.1
97.02890	3.2
103.05470	2.2
105.07014	5.1
106.06572	2.6
107.04930	5.0
107.07365	2.3
108.04481	2.4
108.08121	11.5
109.02910	5.3
109.06494	2.2
109.10114	2.4
110.09678	6.7
115.01023	1.6
116.04922	2.8
118.06560	2.6
118.41914	2.1
119.08632	2.3
120.04478	2.3
120.08120	10.4
121.06493	2.0
121.10135	2.6
122.06026	8.4
122.09651	2.6
123.04407	2.3
124.07582	6.7
127.03895	2.0
132.04541	2.2
133.06503	2.2
134.05980	1.8
136.07567	16.9
137.05977	3.8
138.09111	12.4
138.65489	1.6
144.04445	3.9
145.06544	3.1
145.10187	2.0
146.06015	11.6
148.07568	3.6
150.05478	2.4
150.09148	3.7
160.03932	3.1
160.07631	2.6
162.05492	6.9
163.07555	1.9
164.07047	3.8
166.08632	16.5
167.07054	14.1
170.09668	4.6
172.03938	30.8
172.07472	2.1
173.05975	2.5
174.05534	5.2
174.09117	2.9
177.05428	3.6
181.04959	6.1
186.09183	2.4
187.12363	4.3
190.04984	14.2
191.07150	2.4
193.05002	3.4
197.08345	2.7
198.09148	24.3
204.06535	48.5
205.08485	2.1
210.09177	2.6
212.10814	5.2
213.10252	4.4
215.11823	20.6
216.10156	4.0
225.10190	4.2
226.08882	8.6
226.10750	2.3
227.11746	8.2
229.13451	2.6
231.11415	2.8
239.11783	3.6
241.09657	9.7
241.13425	2.3
242.10358	2.2
243.11270	85.0
250.10947	2.3
251.08614	1.9
251.11749	3.6
252.10321	1.9
253.09758	5.1
255.11273	30.6
256.11951	2.1
257.12854	7.5
263.10870	1.8
269.09268	4.6
279.11169	4.0
281.87781	2.3
283.10693	21.4
284.11420	2.1
285.12323	100.0
286.12741	2.4
294.11267	2.0
297.12311	5.7
301.11871	5.3
303.13428	10.5
307.10556	2.0
308.09262	2.4
309.12445	2.7
313.11908	2.2
325.11917	14.1
329.11264	3.2
337.11172	1.8
343.12814	2.6
357.14581	10.6
359.15887	3.0
377.78177	1.9
383.14841	4.1
393.14410	2.5
411.15387	7.0
417.15567	8.6
427.15097	7.4
429.16376	9.6
434.69659	1.8
445.16412	3.8
447.17563	12.7
456.15268	4.9
458.17535	2.0
470.17294	3.3
472.19180	2.2
487.16922	2.6
488.18253	3.5
544.21027	2.8
562.21692	2.0
580.22992	2.7
588.19592	4.0
598.23853	2.6
609.23401	6.5
623.23871	3.0
641.25586	4.0
669.25641	2.2
689.25897	2.6
707.26343	2.9
735.26239	6.6
743.29102	2.1
753.27100	5.2
771.28149	9.1
785.30176	28.5
803.30774	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	803.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	1.3
65.03922	2.1
67.05495	2.1
69.03426	2.5
69.07090	1.3
70.06580	3.5
70.07774	4.5
79.05485	3.3
80.04996	2.0
81.03399	6.9
81.07058	1.6
84.08139	1.1
85.02892	3.5
86.09698	2.4
91.05467	3.6
93.05804	1.3
93.07047	4.5
94.06571	5.4
95.04967	1.3
95.07346	2.0
95.08605	1.5
96.04466	1.1
96.08134	6.6
97.02872	2.3
97.06532	1.8
103.05499	1.3
105.07021	1.4
106.06534	2.1
107.04952	3.0
107.07310	1.7
108.04478	1.4
108.08118	11.4
109.02869	2.1
110.09670	6.3
115.05452	1.4
116.04981	3.6
117.07034	1.2
118.06556	2.0
119.04916	1.2
119.08530	0.9
120.04480	3.0
120.08086	9.1
122.06025	11.3
122.09651	2.8
123.04491	1.2
124.07567	7.4
127.03885	1.6
129.06993	1.1
132.04546	1.1
134.06012	2.9
136.07573	21.4
137.06018	2.2
138.09114	13.2
141.06929	1.2
144.04456	6.5
144.08127	1.3
146.05997	13.0
147.04430	2.0
148.07573	4.3
150.05479	2.7
150.09155	4.5
152.07112	2.2
154.06633	1.7
155.07292	2.0
155.08508	1.3
157.06488	1.0
157.10178	1.1
158.09666	2.5
160.03941	2.6
160.07579	2.0
162.05504	7.3
164.07082	2.8
166.08623	14.1
167.07066	7.2
167.08336	1.2
170.09639	4.5
172.03932	26.2
172.05409	1.6
172.07640	2.0
172.09897	1.4
172.11243	1.6
174.05479	7.1
174.09146	1.5
176.06937	1.1
177.05473	2.1
180.06583	1.4
181.04874	1.1
184.07625	1.3
184.09827	1.3
184.11272	1.6
186.09140	2.3
187.12303	4.8
190.04944	10.1
192.06599	1.3
193.04945	1.6
196.09824	1.8
197.10796	1.8
198.09154	30.2
199.12384	1.7
200.09390	2.7
200.10945	1.7
204.06544	40.6
206.08104	2.2
207.06528	1.0
210.09181	3.0
211.08583	1.7
211.12299	1.4
212.10902	7.5
213.10260	4.4
213.14093	1.3
214.08768	1.5
215.11774	20.0
216.10239	3.1
223.12277	1.8
225.10240	4.6
226.08868	8.1
226.10849	2.0
227.11810	9.4
229.13390	1.8
232.09677	2.4
236.09430	1.5
237.10115	2.9
238.08684	1.4
239.11774	4.0
240.08702	1.6
240.10298	3.7
241.09689	13.8
241.13361	2.0
242.10461	3.8
243.11276	100.0
244.09665	3.0
244.11780	1.5
246.11293	2.5
251.11758	2.7
252.10121	1.8
253.09735	4.5
254.10316	1.8
255.11284	34.1
256.12061	2.9
257.12860	8.7
264.09134	1.9
265.09549	2.1
267.11298	2.5
269.09235	4.4
269.12762	1.2
279.11200	6.0
281.12772	1.8
283.10803	14.9
284.11407	2.1
285.12308	93.7
286.12833	1.5
291.10284	1.9
293.09143	1.5
297.12399	5.4
301.11880	4.4
302.12442	1.6
303.13297	9.9
307.10635	3.5
309.12152	2.0
313.11783	1.8
321.08231	1.4
325.11731	12.6
339.13419	2.2
343.13004	3.9
345.14450	1.9
351.12198	2.0
357.14505	10.6
359.16202	2.3
375.15652	1.4
382.15479	1.4
383.14944	6.1
385.15424	1.8
386.15518	1.2
393.14523	2.2
396.12927	1.1
400.16629	1.3
403.15167	1.8
406.73730	1.3
409.13974	1.6
410.14871	1.2
411.15634	6.6
412.16354	1.9
417.15738	1.2
427.15051	9.0
428.15909	2.7
429.16492	13.0
444.15543	2.2
445.16058	6.0
447.17615	12.5
456.15424	3.8
456.78604	1.1
457.15836	1.2
470.17331	5.3
474.16501	5.0
479.31448	1.1
487.17078	1.4
488.17963	2.1
526.19635	1.2
534.21033	1.2
544.20422	1.9
551.47845	1.1
562.21588	3.9
576.19318	1.7
580.22833	3.4
588.19659	4.5
591.21991	1.5
593.23425	1.2
595.25116	1.4
598.23560	1.6
600.19507	2.1
606.20728	3.3
609.23798	5.1
618.20947	2.3
620.22345	1.6
623.25183	3.2
627.24438	1.1
641.25714	2.2
668.20172	1.3
689.25769	2.8
707.27301	5.3
717.26117	1.8
721.28296	1.5
725.27527	3.3
727.30585	1.3
735.26416	7.5
739.29694	2.1
743.28607	1.8
749.27405	1.4
753.27673	7.7
757.30243	2.9
767.28101	1.6
771.28723	15.4
785.30127	28.1
803.31097	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	803.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	2.1
69.03423	3.6
70.06581	1.5
70.56499	2.5
70.56840	1.0
79.05505	2.2
81.03421	1.4
85.02903	3.9
91.05470	2.9
93.07020	1.7
94.06582	4.8
95.04944	1.3
95.07356	1.8
96.08126	4.4
97.02872	1.4
97.06518	1.0
103.05470	2.0
105.07059	1.6
107.04936	2.2
108.08131	7.3
110.09670	9.1
120.04459	1.0
120.08106	7.3
122.06031	8.2
124.21887	0.9
131.04886	1.9
133.06512	2.1
136.07565	8.1
137.05974	1.0
138.09142	10.5
145.06541	1.1
148.07570	3.8
161.88051	0.8
166.08633	11.9
167.07060	3.1
177.25072	0.9
181.04955	1.3
199.92186	0.9
206.08397	1.0
211.08708	2.6
221.10753	2.7
235.08681	1.6
237.10262	1.1
247.08678	3.7
248.09526	1.5
249.10217	14.4
250.10957	1.3
251.11867	0.9
261.10245	1.4
263.11792	1.9
265.09677	1.5
275.08090	1.7
277.09711	8.5
291.11353	1.5
307.10510	1.1
309.12442	7.7
325.13052	1.4
326.12946	2.8
329.11624	1.0
336.14734	2.1
338.16525	1.9
339.14206	1.2
340.10757	3.0
340.14474	5.1
341.11688	1.9
342.12265	2.7
342.16071	1.4
343.12833	1.2
350.12973	1.7
351.12726	1.1
352.10837	1.7
352.14609	1.6
353.11499	2.4
354.12314	8.0
354.16107	1.6
355.13306	4.8
356.13959	5.5
364.14438	4.1
365.15378	1.1
366.12088	2.0
366.16345	4.4
367.13373	4.2
368.09866	2.0
368.13919	13.2
369.14874	5.2
370.15524	4.2
380.13904	2.9
381.11041	1.4
382.11273	6.3
382.15985	6.6
383.15561	3.7
384.17126	10.3
386.14935	1.8
392.14008	3.4
394.15598	2.6
395.12946	2.4
396.13443	7.9
397.13992	4.1
398.18839	13.0
410.14984	7.4
412.16757	9.3
414.14505	2.3
416.15967	1.6
420.13351	2.5
426.13849	4.9
428.16248	5.4
429.16812	2.1
438.14456	27.1
439.14639	1.1
442.17526	2.8
444.19696	7.4
456.15540	43.0
457.15976	2.0
458.17218	7.3
470.17062	2.3
476.18158	35.1
488.18231	20.5
489.18631	1.7
563.22693	1.5
591.22046	6.1
595.25446	4.2
609.23419	25.5
613.26361	1.3
623.25055	20.8
641.26031	100.0
642.26416	6.5
642.36627	1.4
727.07483	1.2
803.31195	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	800.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96529	1.0
65.03919	1.1
67.05488	2.5
69.03423	10.4
69.07072	1.1
70.06580	3.4
70.63567	2.2
72.08138	1.1
72.11961	0.9
73.02899	2.0
79.05494	2.4
80.05026	2.5
81.03417	9.0
81.07032	2.1
84.08128	2.0
85.02901	10.3
85.47515	1.1
86.09689	3.1
87.00805	1.6
91.05482	4.1
93.05783	2.0
93.07069	2.4
94.06557	7.7
95.04968	1.5
95.07355	1.6
96.08144	6.4
97.02900	5.6
97.06532	1.2
99.04458	2.6
103.05495	1.4
105.01831	1.1
106.06558	1.9
107.04996	1.0
107.07282	2.7
108.04486	2.3
108.08120	16.0
108.08838	1.6
109.02864	6.1
110.09679	10.3
113.26976	1.0
118.06506	1.6
119.07270	1.0
119.08577	1.1
120.04471	12.1
120.08105	12.4
121.44473	1.0
122.06033	14.0
122.09672	10.0
124.07568	2.2
127.03923	6.5
129.01799	1.2
131.02022	1.0
134.06015	1.4
134.09656	1.5
135.37755	1.1
136.07571	20.7
137.05997	1.0
137.08377	1.2
137.13188	1.0
138.05476	2.6
138.09119	14.4
145.04980	1.9
146.05972	10.4
148.07582	12.9
150.09143	16.9
152.07086	4.4
160.03984	1.4
160.07573	1.6
162.05559	2.2
164.07063	2.2
166.08623	37.6
167.07080	1.3
172.03934	4.7
174.05449	1.6
176.07118	1.4
176.10561	1.1
180.10294	1.7
184.07616	1.1
184.09900	1.2
186.05463	1.9
187.06039	1.6
188.07089	3.3
190.04968	10.5
194.08128	3.3
196.09909	1.3
197.10719	2.4
198.05412	2.2
204.06606	6.2
204.08371	1.3
208.03770	1.6
208.09853	1.5
209.10735	3.8
211.08702	1.2
211.12332	1.6
212.09373	2.6
213.10231	1.4
218.04495	1.3
218.08148	2.2
221.10683	1.6
223.05972	2.5
223.08682	3.0
223.12340	4.1
224.06279	1.6
224.09497	2.9
225.10219	6.7
226.10907	1.5
227.11763	6.3
232.06026	4.1
233.10771	3.1
235.08615	5.1
235.12212	2.0
236.09459	4.5
237.10231	23.8
238.10930	5.3
239.08195	2.2
239.11723	10.2
241.09647	2.0
245.12883	2.4
247.12352	1.3
248.09338	4.1
249.10219	20.0
250.07227	1.3
250.10924	7.8
251.08153	7.0
251.11795	18.5
252.12547	3.7
253.09702	13.3
253.12473	1.1
253.13460	1.5
255.11305	8.1
258.07587	2.5
261.10184	14.0
261.12494	1.6
262.10883	5.1
263.08029	2.5
263.11813	16.3
264.08868	2.3
264.12436	2.0
265.09723	27.5
265.13113	2.7
266.10443	4.2
267.11285	14.0
268.11920	1.3
269.09283	1.4
271.10742	2.7
273.12357	4.7
275.08246	1.7
275.11798	2.8
276.08966	2.9
277.09668	10.5
278.07559	1.7
278.10452	10.3
279.07834	3.8
279.11234	34.3
280.11990	5.2
281.09207	5.5
281.12802	4.9
282.09952	2.1
283.10760	14.4
283.14001	1.4
285.12363	2.2
287.13834	1.5
289.09683	28.3
290.10257	3.0
291.08215	1.6
291.11273	11.7
292.08743	1.3
292.11975	1.6
293.09174	11.6
293.12808	10.3
294.10071	5.6
294.13196	1.4
295.10745	7.4
295.13986	2.2
296.11456	6.9
297.09039	1.7
297.12286	5.0
298.12900	1.6
299.10287	4.0
299.13461	1.5
303.11221	2.8
304.08426	1.6
305.09180	4.9
305.12881	3.5
306.09961	2.2
307.10809	11.4
308.11508	3.8
309.12329	10.9
311.10229	12.9
311.13925	6.7
312.11038	8.0
313.11792	4.8
314.12613	3.3
317.09149	7.3
318.09991	2.0
319.10611	2.6
321.08862	1.9
321.12390	3.9
323.10226	3.5
323.13953	4.8
324.10947	5.4
325.11786	11.5
326.12750	6.7
327.13361	11.4
328.14127	1.3
331.10678	1.8
333.12439	1.8
335.10229	43.4
336.10663	1.9
337.11813	7.4
338.12482	1.2
339.13379	100.0
340.10507	10.6
340.14014	3.8
341.11237	7.8
341.15170	2.9
349.07925	1.1
349.11658	5.6
351.13452	1.1
352.10474	2.3
353.11298	50.6
354.11917	9.3
355.12857	27.2
356.13739	2.4
365.11002	1.6
366.11868	2.7
367.12863	61.9
368.13477	3.0
370.15695	2.1
372.17126	1.4
377.11301	4.1
384.12851	15.4
399.15530	2.2
400.16309	1.8
414.18188	1.4
416.19913	1.6
428.15860	1.6
432.19077	2.4
442.17468	2.7
444.19116	2.4
460.18475	7.9
462.20398	2.6
470.16730	2.6
472.18695	6.5
474.20270	2.2
488.18173	71.7
489.18335	4.5
492.21051	2.0
502.19604	3.5
506.19199	55.6
507.19299	3.0
512.18079	2.4
520.20844	17.4
530.19250	28.8
534.18768	30.6
548.20343	1.6
650.24225	2.2
674.22894	1.5
682.26770	1.6
692.24121	2.5
700.18384	1.1
718.21704	1.8
724.26825	3.6
736.23547	15.1
737.23590	1.7
740.26501	1.8
768.26074	51.1
769.25934	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	795.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	1.3
61.02927	5.3
62.81335	0.5
67.05505	4.3
69.03410	2.1
69.07040	1.1
71.04987	0.8
73.02918	3.4
79.05482	2.9
79.57484	0.6
81.03398	1.2
81.07063	4.1
85.02899	4.8
91.03947	3.2
91.05456	3.1
93.07047	3.6
95.08594	3.1
97.02882	3.5
99.04441	0.8
101.02351	1.5
103.05427	0.8
105.07004	3.8
107.08578	2.0
109.02863	0.8
109.10131	0.8
115.03899	0.6
117.06981	1.9
119.08582	0.7
121.10120	1.1
127.03892	1.8
129.06975	1.6
131.07756	0.5
131.08556	4.3
133.10078	0.8
133.65125	0.5
135.11682	1.1
137.28003	0.5
143.08501	0.7
145.10060	1.6
153.11150	0.5
185.04207	1.0
205.08125	0.5
229.68355	0.7
243.08327	1.5
247.26772	0.6
276.71921	0.5
299.16061	1.6
347.30350	0.5
509.76929	0.6
517.23853	3.7
519.29309	8.2
530.99805	0.6
583.81403	0.5
795.46075	100.0
796.46613	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	797.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.9
61.02927	6.1
61.60350	0.4
65.43105	0.4
67.05503	7.1
69.03422	4.6
69.07065	1.3
69.26845	2.1
69.27283	2.5
71.05006	0.9
73.02911	5.2
77.95103	0.4
79.05492	4.7
81.03428	2.2
81.07054	6.9
83.04951	0.5
85.02898	7.4
87.04465	0.5
88.39389	0.4
91.03944	3.5
91.05473	1.8
93.07040	4.9
95.04983	0.5
95.08594	3.6
97.02891	5.7
99.04465	1.3
101.02363	2.0
103.03951	1.0
104.56911	0.4
105.07035	1.6
107.08614	2.7
109.02876	1.3
109.10152	2.0
117.07045	0.6
119.08607	1.2
121.10151	1.9
127.03899	2.0
131.08560	0.6
133.10152	0.8
135.11725	1.5
138.08534	0.4
139.71364	0.5
145.10080	0.6
149.13237	0.5
183.99287	0.4
185.04295	1.2
203.05304	0.5
208.95956	0.4
221.57899	0.4
225.32953	0.5
229.84167	0.6
232.05232	0.4
243.08394	2.1
320.11002	0.4
335.25867	0.9
381.22443	0.5
497.38858	0.4
519.29266	17.1
615.14484	0.5
797.51678	100.0
798.52032	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	792.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.2
55.05515	19.2
57.03439	12.2
57.07057	2.5
58.50791	0.8
61.02914	3.3
65.03925	2.8
67.05507	67.0
69.03432	1.9
69.07069	16.5
69.40034	0.8
71.04963	1.7
71.30998	1.7
73.02901	1.0
74.51974	0.9
77.03931	1.1
79.05495	38.5
80.55301	0.9
81.07061	68.8
83.04995	1.5
83.08622	9.3
85.02909	1.9
85.06557	1.8
88.35799	1.0
91.05485	26.1
93.07046	52.0
93.93899	0.8
95.04985	5.6
95.08608	57.8
97.02887	3.0
97.06516	3.0
97.10168	3.4
99.08053	1.7
99.97543	1.0
105.07030	22.4
107.08595	27.3
109.10157	21.2
111.08023	2.0
117.07036	8.1
119.08575	17.8
121.10146	20.5
123.08059	1.2
123.11687	7.4
128.06203	0.9
129.06985	1.4
131.08569	14.1
133.10120	15.6
135.11693	15.0
137.09595	1.3
137.13232	2.6
143.08582	3.0
145.10110	12.8
147.11688	11.6
149.13246	9.8
157.10080	1.9
159.11659	8.3
161.13234	7.4
163.14844	4.0
169.10201	1.1
171.11707	2.9
173.13260	8.3
175.14772	3.6
177.16446	1.4
185.13269	1.5
187.14815	3.5
199.14821	1.7
201.16370	1.8
227.16530	0.9
241.19502	2.5
243.21109	5.9
259.20563	7.6
261.22147	16.6
263.23715	2.0
299.23615	1.1
317.24738	2.6
333.24243	6.2
335.25797	100.0
336.26074	3.0
337.27402	9.5
340.87717	0.8
473.23889	1.0
521.43121	2.2
540.77820	0.9
543.40417	1.5
595.47339	15.0
613.48511	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	792.5662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.7
56.05039	1.2
57.03432	0.9
57.07071	24.5
61.02916	2.0
61.50001	0.8
65.03953	1.2
67.05502	10.2
69.03410	1.3
69.07053	3.5
69.47481	5.2
69.47906	2.5
69.68848	0.9
69.74593	0.9
71.05004	1.1
71.08625	25.7
73.02911	2.2
73.06553	11.3
79.05505	6.5
81.07050	9.2
83.08607	5.4
85.02900	2.6
85.10178	24.0
87.04469	14.8
89.06026	100.0
91.05481	10.5
91.07610	1.4
91.28938	0.9
93.07043	4.6
95.04929	1.4
95.08602	7.8
97.02891	1.1
97.10168	2.1
99.11716	2.9
105.07022	10.5
107.03525	0.9
107.07076	8.0
107.08599	2.7
109.10152	2.2
116.06233	1.1
117.07023	7.0
117.09128	10.5
119.08597	3.0
119.13694	0.8
121.10137	2.3
123.11739	1.0
128.06229	1.0
129.07011	3.8
130.08612	5.0
131.07062	4.4
131.08557	14.3
133.08594	50.3
133.10124	2.0
135.08040	1.2
135.10152	1.5
135.11696	2.0
141.16338	4.4
143.08530	2.7
145.10121	3.9
157.10124	2.9
159.11703	1.1
161.09570	1.0
161.11757	3.1
164.58333	0.9
168.13936	0.9
175.09665	3.3
177.09679	1.2
177.11215	22.7
177.12671	1.8
185.18987	5.5
214.60306	1.0
219.12364	1.2
221.13841	3.9
225.07314	0.9
229.21643	9.2
258.18118	0.9
259.16983	2.2
273.24167	4.9
276.19553	1.9
299.15021	1.4
333.20630	2.6
335.25708	1.6
337.27411	6.9
350.23511	1.8
579.34741	0.9
622.20959	0.9
630.47064	32.1
631.47034	1.6
644.27618	1.0
706.27655	1.1
736.90222	1.0
739.54559	1.0
775.53235	1.2
792.52393	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	8.6
55.05732	1.5
57.03431	5.8
63.09986	1.0
65.03937	2.3
67.05502	30.0
67.56857	1.1
69.07058	7.2
69.29746	2.9
69.30160	9.1
71.05009	1.2
79.05490	28.7
81.07053	30.5
83.08615	4.7
85.06530	1.2
91.05473	32.3
93.07034	24.3
95.04963	3.7
95.08595	21.5
97.06535	2.6
97.10170	1.1
103.05475	3.6
105.07024	89.9
107.08595	15.3
109.10159	9.5
114.98119	1.0
115.05446	3.4
116.06236	4.2
117.07009	15.9
119.04950	2.4
119.08566	6.3
121.06520	1.8
121.10126	9.7
123.08080	1.6
123.11687	1.5
128.06221	2.7
129.06993	15.0
130.07784	2.7
131.08560	100.0
133.10147	3.7
135.08070	1.6
135.11671	2.5
141.06982	2.6
142.07791	2.5
143.08549	12.4
145.10118	29.5
147.11708	1.7
149.09621	3.9
149.13243	2.1
153.09061	1.2
155.08559	7.6
157.10123	6.7
159.08076	1.8
159.11661	2.6
166.07686	1.7
167.08441	1.6
167.10658	1.2
169.10155	3.7
181.10147	5.7
189.83063	1.1
195.11697	4.1
197.13219	2.9
210.21368	0.9
223.14856	8.6
241.15919	3.0
259.16992	3.5
259.20648	1.6
328.63068	1.1
333.20520	19.9
333.24158	1.5
335.25778	66.6
593.41968	83.7
594.42743	1.4
756.87109	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
55.05506	7.8
56.05025	2.2
57.03178	0.3
57.03436	4.2
57.07053	0.8
61.02922	7.4
65.03931	1.8
67.05499	26.8
68.05009	0.2
69.03429	2.5
69.07061	7.8
70.02948	0.5
70.06589	0.3
71.04988	1.5
71.08618	0.2
71.59269	0.4
73.02907	2.2
74.06055	0.6
75.04500	0.2
77.03907	0.5
79.05486	22.2
80.05001	0.6
81.03407	1.5
81.07050	24.8
82.06571	1.5
83.04988	1.6
83.08620	3.3
84.08151	0.4
85.02899	5.6
85.06541	1.0
91.03958	2.9
91.05472	30.8
92.05001	0.4
92.07122	0.5
93.07036	21.1
94.06564	0.8
95.04963	3.9
95.08600	16.9
96.04485	0.3
96.08124	0.5
97.02881	4.3
97.06518	1.5
97.10160	1.0
98.06005	0.2
99.04451	0.3
99.08093	0.7
101.02379	0.5
103.05459	1.5
105.04526	0.6
105.07021	27.6
106.06551	0.9
107.04958	1.4
107.08585	11.1
108.08147	0.4
109.02861	0.4
109.06522	1.5
109.10151	6.6
110.06005	0.4
111.08087	0.7
113.09641	0.2
115.03981	0.3
115.05437	2.9
116.06243	1.5
117.07008	18.1
118.06535	0.6
119.04932	1.4
119.08569	8.2
120.08096	1.0
121.06533	1.6
121.10132	8.6
123.08057	0.9
123.11687	1.7
125.09658	0.4
127.03914	0.7
128.06210	2.8
129.06996	12.0
130.07771	0.9
131.08557	40.4
132.08032	0.4
132.08902	0.3
133.06447	1.4
133.10121	4.9
133.11072	0.4
134.09683	0.4
135.04384	0.5
135.08052	1.9
135.11673	4.5
137.09604	0.5
137.13272	0.6
141.06969	1.4
142.07803	1.2
143.08546	9.1
145.06494	1.0
145.10109	13.6
146.09630	0.3
147.08040	2.9
147.11671	2.1
149.05968	0.5
149.09610	1.5
149.13264	1.4
151.11266	0.5
153.07030	0.4
154.07796	0.3
155.08546	2.9
157.06502	0.4
157.10106	6.0
159.08092	1.4
159.11670	2.8
161.09669	1.3
161.13284	0.8
163.11183	0.5
165.07040	0.4
166.07747	0.5
167.08525	1.3
167.10695	0.3
169.10068	1.7
171.08032	0.6
171.11684	2.3
173.09628	0.6
173.13274	0.9
175.11234	0.5
175.14799	0.5
177.12766	0.4
180.09387	0.3
181.10095	2.8
182.10957	0.3
183.11699	0.6
185.09659	0.3
185.13307	0.9
187.14809	0.5
193.10109	0.3
194.15390	4.0
195.11639	1.6
197.13184	1.2
199.14825	0.4
201.16464	0.3
208.12555	0.3
211.14850	0.3
212.16374	0.5
213.16418	1.4
221.13280	0.2
223.14798	2.8
230.19003	0.4
231.17458	0.7
241.15848	1.9
243.21100	0.4
250.18173	0.3
258.18503	3.3
259.16919	5.5
259.19705	0.3
261.21930	1.2
268.19113	1.0
276.19543	4.7
277.18137	0.3
286.20117	0.9
292.19177	0.6
293.19525	0.5
295.96146	0.2
332.22272	0.5
333.20557	8.8
335.25772	23.5
336.26196	0.3
350.23209	5.3
368.24323	1.5
402.23050	0.3
438.24741	0.3
497.31213	0.8
513.60590	0.2
519.38293	0.4
546.41534	2.5
593.41937	4.4
610.44714	3.6
611.42963	1.1
628.45660	100.0
629.46057	2.3
682.30872	0.3
706.46899	0.5
736.47205	0.3
754.48688	0.6
769.66437	0.2
772.50073	1.1
776.58844	0.3
790.50873	17.7
791.50610	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.05505	7.4
56.05030	3.1
57.03433	4.3
61.02919	7.3
65.03933	2.0
66.93858	0.5
67.05499	24.2
69.03423	2.9
69.07061	7.2
70.35094	1.5
70.35435	0.9
71.04980	1.4
73.02910	2.5
77.03928	0.7
79.05488	21.8
80.04999	1.1
81.03410	1.5
81.07050	20.9
82.06584	1.5
83.04979	0.9
83.08612	3.6
85.02898	5.8
89.79988	0.4
91.03960	2.9
91.05475	31.9
93.07036	20.2
94.06556	0.8
95.04955	4.0
95.08597	15.7
96.08102	0.6
97.02879	4.3
97.06520	1.2
97.10197	1.2
99.08086	0.8
102.50121	0.5
103.05447	1.5
103.13707	0.6
105.07022	29.0
106.06547	1.0
107.04974	1.6
107.08581	9.2
108.08127	0.5
109.06525	1.8
109.10149	5.5
111.08051	0.6
115.05452	3.8
116.06237	1.6
117.07008	18.4
119.04917	2.3
119.08576	7.9
119.09359	0.8
120.08073	0.9
121.06503	1.3
121.10136	6.7
123.08074	1.2
123.11714	0.9
127.03898	1.0
128.06226	2.8
129.06996	13.5
130.07791	1.2
131.08557	42.2
133.06502	2.0
133.10132	3.9
135.04382	0.9
135.08052	1.8
135.11693	3.6
141.07001	1.9
142.07791	1.4
143.08534	8.9
143.09520	0.7
145.06487	1.3
145.10112	13.9
147.07982	2.4
147.11693	2.1
149.05957	0.7
149.09654	1.2
149.13234	1.5
153.06929	0.6
155.08539	3.1
156.06844	0.6
157.06511	0.8
157.10133	7.5
159.08067	1.9
159.11670	2.5
161.09618	1.7
161.13272	1.1
165.07053	1.0
166.07825	0.8
167.08604	1.3
169.10133	1.9
171.08118	0.6
171.11668	2.4
173.13293	0.7
175.14832	0.6
179.08582	0.5
181.10115	2.4
185.13315	0.9
194.15396	3.8
195.11684	1.9
197.13249	1.0
212.16498	0.7
213.16382	0.8
223.14825	2.7
230.19035	1.1
231.17549	0.6
241.15855	2.3
258.18509	4.5
259.16916	5.8
261.22141	1.1
268.19016	1.3
276.19608	6.2
313.95984	0.5
332.22269	1.0
333.20581	10.4
335.25766	17.4
350.23248	5.5
351.93832	0.6
368.03641	0.6
368.24280	1.0
372.78265	0.5
417.78073	0.5
519.37909	0.6
546.41510	3.0
593.41882	3.1
610.44623	3.7
611.43817	0.9
628.45667	100.0
629.46027	4.3
685.40387	0.6
754.49030	0.8
772.49994	0.9
790.37024	0.9
790.50861	14.3
791.50696	0.7
804.59296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
66.62300	0.3
69.03394	0.4
70.06597	0.6
71.34779	0.4
71.35114	0.8
78.04716	2.2
78.05090	0.4
79.05481	4.9
81.07049	1.0
89.74141	0.3
91.05471	1.8
93.07070	0.5
94.74525	0.3
95.04950	1.9
102.04681	0.4
102.57608	0.4
103.05446	4.1
105.03395	0.3
105.07021	3.6
106.04160	1.1
107.04951	11.8
109.02913	0.4
109.06485	0.4
111.07999	0.3
115.05448	1.9
117.06998	0.8
118.04158	2.8
119.04908	0.8
119.08569	0.5
121.06467	0.6
123.04442	5.9
124.05208	3.4
125.05949	1.6
128.06189	1.5
129.06956	1.0
130.04150	1.6
131.04919	8.6
132.05716	0.6
133.06490	3.7
137.05956	0.9
139.05449	0.6
141.06909	0.8
145.06488	0.6
146.03539	0.4
147.04402	1.4
147.08031	0.8
148.05157	1.0
149.05905	0.4
151.03917	0.8
152.04681	2.7
153.05466	0.5
156.05679	1.3
158.03580	0.4
159.04384	0.8
159.08012	1.7
160.05089	0.4
161.05965	4.0
162.06775	0.6
163.07521	0.8
167.07028	100.0
168.04312	0.4
168.05687	1.2
168.07368	1.7
169.06407	0.5
171.08038	1.7
173.05980	1.6
175.07544	1.6
176.04677	3.9
179.07036	0.9
179.08553	0.5
184.05164	2.8
185.05843	0.4
187.07487	1.6
189.07005	1.3
189.08884	0.4
190.07732	3.0
191.07016	35.2
192.07458	1.1
193.08493	0.4
199.07516	16.6
202.07791	1.6
203.08530	3.4
204.09323	1.0
205.06487	0.6
205.10139	1.6
206.07388	0.4
207.08018	1.0
215.08553	5.8
217.06491	0.8
218.07231	7.3
219.08060	3.0
220.08934	0.5
221.09653	0.7
229.06462	3.3
230.07149	0.7
231.08041	3.4
232.08833	3.2
233.09608	15.3
234.06625	0.5
234.10178	0.8
235.07516	3.7
236.08153	0.4
242.07324	0.5
243.07968	3.2
244.08833	1.2
245.05983	1.2
245.09604	0.7
246.06754	5.9
247.07520	3.4
248.08177	1.0
249.09029	2.1
250.09959	2.3
257.05969	3.2
258.06747	0.5
259.07520	2.8
260.08304	4.9
261.09094	18.5
262.09842	2.2
263.07019	3.5
263.09814	0.6
264.07672	0.8
265.12155	0.8
271.07532	0.9
273.05576	0.5
273.09061	1.6
274.06241	5.3
275.07043	3.2
275.10617	1.1
276.07806	1.3
277.08557	3.6
278.09323	7.4
279.10095	1.0
280.10709	0.4
287.07205	0.5
288.07751	1.8
289.08566	32.7
290.09335	10.3
291.06522	2.5
291.10117	2.3
292.07385	0.6
292.10809	0.9
293.11682	5.8
303.10059	1.1
305.08072	1.5
306.08841	7.8
307.09537	2.3
309.51947	0.4
312.05038	0.4
321.11179	53.0
322.11673	3.5
323.09006	1.2
323.12573	0.4
325.10648	0.9
325.14291	1.9
338.11432	1.6
353.13803	80.0
354.14304	2.2
452.69873	0.4
546.35815	0.4
563.22638	0.5
712.32605	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	29.0
55.05508	38.7
57.03426	16.9
57.07063	4.4
61.02898	7.1
65.03931	8.4
67.05500	93.2
69.03418	12.1
69.07057	30.3
69.38839	20.3
69.39249	10.9
71.04975	6.2
73.02922	6.5
79.05491	79.1
81.03396	10.7
81.07048	100.0
83.04977	11.7
83.08603	13.2
85.02884	16.1
85.06532	6.9
85.23483	3.4
90.03876	3.3
91.03934	4.5
91.05473	66.3
93.07040	75.1
95.04945	20.9
95.08604	67.6
97.02872	10.6
97.06515	38.6
97.10145	12.0
105.07020	52.2
107.04932	20.0
107.08586	55.1
109.02872	4.8
109.06518	15.0
109.10147	25.4
112.22229	3.3
117.07005	24.6
119.08564	40.7
121.06474	11.6
121.10133	25.5
123.08061	9.9
123.11706	11.4
125.09640	9.5
127.03888	6.5
128.53198	3.5
129.07002	9.6
131.08557	29.6
133.10104	30.2
135.08087	7.7
135.11668	20.5
137.09662	4.1
139.07535	3.9
143.08516	6.3
145.10121	27.2
147.11694	25.2
149.09605	35.3
149.13239	11.2
151.11172	6.1
157.10214	7.3
159.11664	23.0
161.09497	4.6
161.13268	13.9
163.11179	12.1
165.12775	3.9
169.10097	9.4
171.11595	6.4
173.13264	13.8
181.10085	4.6
183.11685	5.0
185.13266	6.2
189.11177	8.2
200.85854	3.4
202.10344	3.4
227.12831	16.8
229.14302	5.1
257.18900	8.8
261.22208	10.3
267.15848	16.0
275.17249	6.6
275.20041	83.4
277.21613	6.0
335.25790	60.5
349.23761	47.6
412.33563	4.9
431.30969	5.6
505.35162	5.9
513.39282	10.5
586.91412	4.4
609.35968	5.5
609.45117	60.4
627.46155	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	789.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	21.1
55.05501	28.3
55.35042	3.7
57.03434	18.8
57.07071	4.7
59.35151	3.4
61.02913	14.4
65.03944	6.4
67.05501	91.4
69.03416	8.9
69.07059	28.8
71.04986	6.0
71.08614	4.4
73.02899	5.6
79.05046	7.3
79.05487	82.1
81.03391	11.3
81.07050	100.0
83.04971	10.7
83.08608	15.7
85.02899	16.7
85.06534	5.6
89.06025	15.6
91.03940	9.5
91.05476	61.0
92.89843	4.0
93.07037	74.6
95.04946	13.1
95.08598	68.1
97.02869	14.8
97.06525	35.0
97.10165	14.2
98.20697	8.2
99.08083	5.8
105.07034	53.8
107.04938	15.0
107.08572	43.3
109.06516	13.5
109.10143	35.6
111.08061	5.5
117.07036	20.7
119.08576	36.7
121.06534	7.7
121.10125	29.2
123.08042	6.1
123.11672	7.0
123.86266	3.4
125.09608	8.5
127.03907	4.6
129.07008	10.4
131.08575	35.7
133.10109	34.7
135.08092	4.1
135.11668	15.6
137.09549	4.6
139.11072	4.9
143.08563	7.3
145.10138	21.2
147.11678	22.0
149.09592	26.2
149.13245	8.9
155.08488	6.7
157.10133	7.9
159.11678	16.0
161.09544	4.4
161.13237	11.3
163.14816	5.7
165.12689	6.3
169.10115	5.0
171.11694	7.9
173.13287	14.3
175.11177	6.0
175.14844	4.8
179.14259	4.6
185.13255	7.0
189.11159	4.9
201.16344	5.8
203.14070	3.9
219.17398	6.4
227.12776	12.7
241.19345	4.5
257.18973	11.1
259.20526	5.0
261.22198	9.4
266.98721	4.0
267.15924	20.5
275.20044	76.9
275.22781	6.8
283.20395	4.0
293.21103	4.7
335.25787	84.1
349.23691	44.9
419.23712	5.0
513.39484	8.2
515.36578	6.2
545.38116	15.7
609.45068	58.5
627.46136	29.4
629.75214	4.0
721.51520	4.1
811.93182	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	787.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	36.5
56.01592	9.1
56.92187	11.3
57.03425	22.2
59.52316	9.6
65.41639	10.2
67.05495	87.9
69.03456	10.1
69.07052	25.9
69.64993	23.3
69.65413	55.8
72.30889	12.7
79.05505	65.1
81.03419	27.6
81.07050	100.0
81.96426	11.1
83.08630	15.6
85.02903	16.8
85.55143	10.4
91.05484	83.4
93.07024	59.0
95.04973	23.7
95.08594	75.6
97.02872	13.0
105.07024	61.2
107.04977	10.2
107.08578	25.9
109.06499	31.0
109.10105	16.1
110.71231	9.5
117.07012	27.9
119.08559	49.5
121.10114	24.3
123.08076	15.5
128.06207	18.9
129.06960	29.8
131.08546	71.3
133.06427	10.5
133.10158	21.0
135.08096	11.5
143.08530	77.1
145.10139	69.8
147.08035	19.0
157.10130	22.7
159.11714	29.2
161.09608	11.6
169.10115	14.5
171.11633	12.6
174.57343	10.3
183.11755	19.6
237.16374	18.0
255.17419	30.1
273.18454	65.4
274.18216	11.2
281.55600	11.5
291.19772	14.7
335.25839	72.3
347.22034	37.5
529.38690	15.3
607.44006	51.2
652.51428	11.1
657.13538	11.9
787.46582	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	787.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.7
55.05512	30.1
57.03437	13.9
61.02911	7.2
61.45946	2.0
63.10603	2.1
65.03931	3.3
67.05501	66.0
69.03420	4.5
69.07059	21.7
71.04990	5.2
73.02908	4.1
79.05054	3.8
79.05487	59.7
81.03409	5.8
81.06576	4.1
81.07050	75.3
83.04961	8.0
83.05615	1.9
83.08593	13.1
85.02882	9.4
85.06507	3.2
91.03936	3.7
91.05475	63.7
93.07037	55.4
95.04965	11.6
95.08046	3.5
95.08601	47.2
97.02876	8.1
97.06512	4.2
97.10138	5.3
98.20708	4.1
99.08077	3.2
103.05435	2.4
105.07024	47.2
107.04938	6.0
107.08585	29.0
109.06515	9.9
109.10143	16.7
111.08073	3.6
113.06025	2.1
114.58103	1.8
115.05417	5.7
117.07016	36.9
119.04990	3.5
119.08570	33.0
121.06480	7.6
121.10126	19.4
123.08033	6.1
123.11702	4.7
128.06207	12.3
129.07004	20.2
130.07755	4.2
131.07587	4.5
131.08557	50.8
133.06470	6.5
133.10130	17.8
135.08018	6.9
135.11685	12.1
137.09564	3.9
141.06956	6.9
142.07750	7.4
143.08539	34.6
145.06432	3.4
145.09035	3.5
145.10109	51.8
147.08032	8.5
147.11725	12.5
149.09596	6.7
149.13226	3.5
153.06941	2.4
155.08510	8.2
157.10127	22.1
159.08040	4.3
159.11684	22.6
161.09659	10.6
161.13182	3.5
163.11150	7.9
167.08490	4.7
169.10115	8.3
171.08067	2.8
171.11700	14.0
173.13246	4.9
175.11140	9.0
177.12701	2.8
181.10155	7.7
183.11685	5.3
185.13278	6.0
187.11078	2.8
187.14844	4.2
189.11244	2.2
189.12764	3.3
195.11656	11.1
196.21443	2.4
197.13310	3.6
199.14825	2.9
205.12125	2.1
209.13231	3.4
213.12727	3.8
215.14236	3.0
216.69754	2.2
227.17883	7.8
237.16360	10.2
245.18993	7.9
249.61299	2.3
255.17451	18.2
261.22076	4.7
273.18475	75.5
291.19498	7.8
291.54645	2.0
329.21014	4.1
335.25787	100.0
347.22156	38.5
365.23114	3.9
383.23660	2.2
470.76364	2.6
572.79736	2.7
607.43481	41.7
625.45044	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	787.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.4
57.98394	0.5
65.03951	0.8
67.05509	1.4
69.03423	1.7
70.06588	1.8
70.85155	1.3
72.08167	0.7
77.03942	0.4
79.05492	2.8
80.05006	1.3
81.03418	3.9
81.05804	0.5
81.07063	0.9
82.06577	1.0
84.08163	0.5
85.02904	1.9
86.09721	0.9
89.03896	0.6
91.05488	2.2
92.04993	0.7
93.05788	1.8
93.07028	3.6
94.06568	7.6
95.04965	1.9
95.07358	1.8
95.08611	1.2
96.08131	4.0
97.02898	0.9
103.05466	0.8
105.07028	0.7
105.42585	0.5
106.06580	1.3
107.04943	0.9
107.07332	1.5
108.04502	1.9
108.08118	13.0
109.02869	1.0
110.09674	5.6
112.71976	0.4
115.05477	0.5
116.04984	1.6
118.06558	1.8
119.04971	0.5
120.04475	4.1
120.08103	9.8
120.08924	0.7
122.06021	7.4
122.09657	4.2
123.11724	0.6
124.07606	2.5
127.03908	1.7
129.07042	0.5
129.10260	0.5
130.06502	0.7
132.04442	0.8
132.08092	0.8
134.06012	3.0
136.07582	10.5
137.06084	0.7
138.05522	1.0
138.09123	8.5
143.22748	0.5
144.04453	2.5
144.08089	1.1
146.06004	11.1
148.07570	5.9
150.05530	0.8
150.09148	3.4
151.03903	0.5
152.07089	0.6
158.06003	0.6
158.09697	0.6
160.03940	3.2
160.07620	1.1
162.05484	2.2
163.03905	0.5
164.07066	1.5
166.08644	6.0
167.07172	1.5
168.08147	0.7
172.03938	7.9
172.07584	0.9
174.05502	4.3
176.07091	1.6
180.08026	0.5
182.09727	1.0
183.09183	1.0
184.10071	1.2
186.05510	1.3
186.09245	0.9
187.08722	0.6
188.07080	0.9
190.05003	9.3
192.10223	0.5
196.09999	0.9
197.10767	2.4
198.09270	0.6
198.11522	0.8
199.08658	1.0
199.12334	2.9
200.07059	0.6
204.06613	2.0
209.10774	1.9
210.09279	1.2
210.11458	0.8
211.08690	2.3
211.12357	1.9
212.07436	0.4
212.09470	2.0
213.10342	0.9
216.06599	0.5
216.10098	0.5
221.10803	1.1
223.08751	1.4
223.12390	1.4
224.09441	1.2
225.10223	7.6
226.11009	1.1
227.11777	15.3
228.06520	0.6
229.13377	0.8
232.06827	0.4
232.09489	0.5
233.10808	1.1
235.08684	1.8
235.12373	0.6
236.09517	1.5
237.10211	5.1
238.11111	2.0
239.11775	4.4
240.12570	0.8
241.09700	1.1
241.13382	1.3
243.11456	0.6
246.11342	0.9
247.08449	0.6
249.10246	3.2
250.11008	1.0
251.08203	1.3
251.11833	4.8
252.12682	0.7
253.09688	4.7
253.13454	1.1
255.11305	3.5
257.12973	0.8
261.10275	1.2
262.11096	0.7
263.08243	2.5
263.11661	1.1
264.09058	1.8
264.12570	0.6
265.09787	3.8
265.13400	0.7
266.10666	1.1
267.11313	4.2
267.47687	0.4
269.12833	4.7
271.10733	4.4
273.12314	2.9
275.11652	0.6
277.09726	3.0
278.10568	1.5
279.11285	8.7
281.09586	0.6
281.12946	1.7
282.09967	0.7
283.10718	2.6
284.11591	0.8
285.12231	3.3
286.13312	0.7
287.14166	0.8
289.09601	0.6
291.11386	1.6
293.09488	0.6
293.12781	1.2
295.10800	2.3
297.12317	4.9
299.14017	2.5
300.14999	0.7
302.13181	0.8
303.11044	0.6
305.09219	0.9
307.10806	2.7
309.12457	1.3
310.13211	0.6
311.14301	0.7
312.15121	1.1
313.12671	1.6
314.13190	1.5
314.16699	0.5
315.13858	1.3
316.11038	1.1
316.14523	2.3
317.15414	1.1
321.12509	1.3
323.10556	1.5
324.26468	0.6
325.11923	4.1
326.13226	0.8
326.16815	0.9
327.13785	2.0
328.11224	2.6
328.14093	2.4
328.17896	0.5
329.11758	2.2
329.15259	1.7
330.12299	1.4
330.16098	2.3
331.16904	1.1
337.11981	0.5
338.13156	0.6
339.13956	2.2
340.14545	1.9
341.11920	1.4
341.15561	0.8
342.12488	6.8
342.16226	2.1
343.13080	3.8
344.14053	2.1
344.17801	0.8
346.15924	0.5
352.14560	1.5
353.15747	1.0
354.12451	1.4
354.16104	1.7
355.13208	2.3
356.13922	6.4
356.17752	0.9
357.14661	2.1
358.15518	7.4
359.16232	0.5
365.11346	0.7
365.15341	0.6
366.16113	2.1
367.13297	0.9
368.14151	1.2
369.14679	1.1
370.11639	0.9
370.15561	4.8
370.19312	0.4
371.16467	1.5
372.17322	1.7
379.13239	0.9
380.13995	2.0
381.14679	1.1
382.11572	2.7
383.12735	1.4
384.13391	2.0
384.17346	1.2
385.14331	1.8
386.14890	3.6
386.19250	0.5
387.15839	0.5
388.16562	1.0
394.15503	2.4
395.16223	1.5
396.17322	0.6
397.14502	1.3
398.14975	13.8
398.19937	0.8
399.15802	7.8
400.16574	3.6
402.13986	0.7
402.18787	0.6
404.16074	1.4
410.14841	0.8
411.16046	0.6
412.16473	2.8
413.17038	0.7
414.18359	2.2
416.16006	4.8
417.16962	1.9
418.17642	0.8
422.15103	1.2
423.14444	0.6
427.15292	0.7
428.16165	1.6
429.16574	0.6
430.17780	1.7
431.18344	1.0
432.19714	0.8
439.15366	1.2
440.15903	3.3
441.16486	1.0
442.17880	0.9
446.17337	1.3
447.16534	0.7
449.13867	0.5
458.17007	3.5
459.17941	0.7
460.18362	0.6
467.14755	0.7
470.17380	0.8
472.18726	0.7
482.17209	1.3
484.18530	1.2
488.18442	1.7
496.19135	0.6
500.18146	2.3
512.18689	0.5
518.19135	1.0
520.20697	0.5
523.23767	0.8
530.19586	0.9
532.21094	0.8
534.22369	1.3
542.19733	1.5
547.24182	0.8
548.19678	1.1
554.19128	2.6
556.20844	0.6
558.22339	0.9
560.20215	6.6
565.24969	1.0
566.19214	2.6
572.20221	2.4
584.20111	4.1
590.21356	4.4
592.22821	0.7
593.23553	2.9
602.21350	11.0
611.25342	1.4
620.22345	1.9
632.22437	0.8
634.24066	0.8
653.26221	2.5
664.24738	1.0
673.26636	1.8
685.27924	0.5
691.27899	2.9
701.26349	1.6
709.28552	3.2
711.30280	6.8
713.28064	11.0
719.27094	4.2
727.29669	5.5
737.28052	9.5
755.29169	100.0
756.29376	3.1
770.29321	1.7
787.32410	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	0.4
67.05500	0.7
68.32121	0.5
69.03429	0.5
70.06583	1.2
71.59369	0.8
73.76055	0.4
79.05491	1.6
80.05010	0.5
81.03410	2.3
82.06572	0.6
84.08131	0.9
85.02890	0.7
86.09728	0.8
91.05484	1.5
92.04987	0.9
93.05766	1.0
93.07043	1.7
94.06567	5.6
95.04958	0.5
95.07317	1.4
95.08625	0.5
96.08115	3.0
97.02882	0.6
102.02878	0.4
103.05515	0.6
105.07030	0.6
106.06553	1.2
107.07330	1.3
108.04477	1.2
108.08118	9.9
109.02909	0.8
110.09668	3.8
116.04968	1.0
117.05700	0.4
118.06540	1.7
120.04459	3.0
120.08081	5.9
122.06023	6.3
122.09668	2.4
124.07558	2.7
125.28020	0.5
127.03912	0.6
128.66542	0.5
132.08110	1.1
134.06017	1.6
134.09605	0.7
136.07564	8.7
138.05493	1.1
138.09128	5.6
144.04453	1.9
144.08054	0.6
146.06001	7.6
148.07564	4.4
150.05412	0.5
150.09148	2.4
152.07072	0.5
158.06012	0.6
160.04004	1.7
160.07640	0.6
162.05507	1.4
163.03946	0.5
164.07106	1.0
166.08623	4.0
167.07156	0.9
172.03929	5.9
172.07593	0.7
174.05504	2.6
176.07101	1.3
178.04912	0.5
182.09679	0.7
184.07545	0.6
184.09981	0.7
185.07184	0.6
185.10593	0.4
186.05493	0.7
188.07181	0.6
190.04955	6.8
195.09149	0.7
196.09946	1.0
197.10756	1.3
199.08636	0.8
199.12395	2.1
200.03601	0.5
204.06593	1.1
209.10747	1.4
210.09224	1.2
210.11494	0.6
211.08731	1.8
211.12352	1.2
212.09529	1.3
213.10298	0.8
221.10791	0.4
223.08623	0.6
223.12303	1.1
224.09473	1.0
225.10226	6.2
225.84016	0.4
226.10851	1.0
227.11758	10.9
229.13364	0.6
234.09309	0.5
235.08632	0.7
236.09483	1.0
237.10184	3.4
238.11095	1.4
239.11765	3.5
240.12521	0.6
241.09645	0.5
241.13390	0.8
245.12878	0.7
249.10312	1.4
250.11052	0.8
251.08194	1.0
251.11823	3.0
252.08707	0.5
252.12624	0.6
253.09717	3.4
253.13516	0.9
255.11331	1.4
261.10202	0.6
263.08127	1.7
264.08975	1.6
265.09637	2.5
265.13583	0.5
266.10397	0.9
267.11310	4.3
269.12875	4.1
271.10855	3.4
271.14160	0.4
273.12497	1.8
277.09760	2.1
278.10480	0.6
279.11243	6.9
281.12906	1.1
283.10895	1.8
284.11511	0.7
285.12347	1.3
287.14050	1.2
291.11060	0.6
293.09277	0.7
293.12646	0.5
295.10864	1.4
297.12317	3.9
298.13470	0.6
299.14090	1.5
300.11600	0.6
301.12091	0.7
302.13013	1.3
302.16516	0.5
305.09149	0.7
307.10742	1.9
309.12344	1.3
311.14221	0.4
312.14890	0.5
313.13065	1.5
314.12872	1.9
315.13840	1.2
316.11072	0.8
316.14618	1.2
318.16016	0.6
321.12451	1.2
323.10349	1.7
325.11810	3.1
326.13071	0.9
327.13773	1.7
328.10754	1.6
328.14529	2.1
329.11609	1.6
329.15134	0.9
330.12418	1.1
330.16019	1.6
331.17114	0.5
339.13782	1.5
340.14548	1.3
341.11649	0.9
341.15533	0.8
342.12457	5.6
342.16183	1.3
343.13135	4.0
344.13971	1.8
352.14545	1.0
354.12231	0.7
354.16135	2.0
355.13254	1.4
355.17072	0.9
356.13882	4.9
356.17566	0.6
357.14484	2.3
358.15457	5.6
358.19400	0.5
365.14948	0.6
366.15735	1.1
368.17880	0.7
369.14990	0.8
370.11551	0.8
370.15549	3.9
371.16312	1.1
372.17123	1.9
374.14899	0.6
380.13873	1.0
381.14587	0.6
382.11487	2.1
382.16043	0.7
383.12668	1.2
384.13153	2.0
384.17676	0.5
385.13995	1.3
386.14795	3.8
386.18005	0.5
387.15695	0.6
388.12054	0.5
388.16724	1.7
394.15573	1.4
395.16354	0.7
398.14969	10.8
398.19858	0.6
399.15686	5.6
400.16769	3.3
402.14398	0.7
404.16132	1.8
410.15149	0.6
411.15573	0.6
412.16391	2.5
413.17401	1.0
414.18262	1.7
416.15845	3.2
417.16824	1.6
418.17435	1.1
422.15295	1.3
428.15994	1.5
430.17615	0.8
431.18304	0.6
440.15765	2.2
441.16440	0.9
442.17551	0.7
458.16989	2.6
459.17908	0.8
467.14282	0.6
472.18433	0.7
482.17285	1.0
488.18146	1.1
500.18173	0.9
504.21918	0.6
505.22488	0.7
509.22318	0.6
512.18054	0.7
514.19757	1.0
518.18793	0.5
530.19653	0.7
532.21228	0.8
534.22400	1.3
538.19452	0.7
542.19220	1.7
548.20032	1.8
554.19507	1.6
558.22253	0.9
560.20197	5.5
566.19537	1.4
572.20538	1.9
574.21741	0.9
584.20453	2.5
590.21069	3.0
592.23279	0.9
593.23822	1.4
602.21222	7.1
611.24811	1.2
620.22809	0.7
653.26465	1.3
667.27557	0.7
673.26892	1.2
683.31195	0.8
691.27783	1.6
701.26447	0.9
709.28772	1.7
711.30286	5.9
713.28076	7.2
719.27100	3.7
726.27661	0.5
727.29858	4.3
737.28082	5.9
755.29126	100.0
756.29443	5.6
787.31433	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	787.229
Annotation	Isorhamnetin 3-galactosyl-(1->4)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01847	0.2
55.05484	0.2
57.03435	1.3
57.58803	0.1
58.88465	0.1
61.02922	1.3
63.26210	0.1
65.03931	0.1
67.49622	0.1
68.99767	0.1
69.03432	0.5
69.44476	0.1
70.06586	0.2
70.11019	0.1
71.04993	8.0
71.58380	0.1
73.02879	0.4
74.31891	0.1
75.04482	0.5
81.03394	0.2
83.04980	0.5
84.04485	0.1
85.02903	11.3
85.24693	0.1
86.03194	0.1
87.04434	0.3
89.03896	0.1
91.03950	0.8
92.02595	0.3
93.03377	0.4
97.02886	1.0
98.97531	0.1
99.04406	0.3
109.02817	0.3
111.00773	0.2
111.04400	0.4
115.03822	0.1
121.02848	0.5
124.08630	0.1
126.03108	0.2
127.03872	0.6
129.05467	2.5
135.04462	0.1
137.02301	0.3
139.03889	0.7
145.04901	0.4
147.04376	0.1
147.06470	0.7
151.03912	0.8
153.01819	3.9
161.05891	0.1
163.03920	0.5
163.05963	0.2
165.01823	0.5
166.02524	0.1
170.31064	0.1
177.05437	0.1
201.05469	0.3
203.03329	0.2
217.04897	0.3
218.05626	0.3
228.04156	0.6
229.04979	2.0
231.02808	0.1
243.06467	0.2
245.04401	0.6
246.05188	1.1
251.32162	0.1
256.03729	0.2
257.04465	2.0
258.05051	0.1
260.03122	0.2
261.07550	0.3
271.06015	0.2
273.03845	0.9
274.04721	3.2
284.03165	0.3
285.03943	3.5
286.04590	0.2
288.06418	0.1
302.04208	11.2
303.04541	0.1
317.06543	100.0
318.06879	1.6
329.06543	0.2
359.07657	0.4
383.07755	0.2
427.10425	0.2
461.10760	0.2
463.12704	0.2
479.11847	22.1
480.12051	0.4
728.62189	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	0.2
55.05479	0.1
57.03435	1.6
61.02926	0.6
69.03433	1.1
70.06541	0.2
70.91255	0.3
71.01318	0.1
71.04988	8.0
73.02882	0.3
75.04443	0.4
81.03413	0.7
83.01302	0.1
83.04942	0.4
85.02901	12.4
87.04426	0.3
91.03866	0.2
92.02592	0.4
93.03379	0.4
97.02383	0.1
97.02887	1.5
99.04428	0.2
109.02820	0.4
111.04414	0.4
121.02853	0.5
126.03084	0.2
127.03914	0.7
129.05476	2.3
135.04425	0.1
137.02380	0.1
139.03896	0.8
145.04933	0.6
147.06516	0.6
151.03870	0.8
153.01811	3.9
157.14134	0.1
163.03809	0.2
165.01877	0.6
177.05461	0.2
183.02948	0.1
200.04605	0.1
201.05440	0.4
204.04308	0.1
206.01767	0.1
217.04974	0.2
218.05716	0.4
228.04173	0.6
229.04900	1.9
229.07025	0.2
231.02797	0.2
245.04391	0.5
246.05193	1.0
257.04446	1.9
258.05075	0.1
260.03223	0.3
261.07590	0.4
271.06061	0.3
273.03946	1.2
274.04712	3.5
284.03116	0.4
285.03949	3.4
286.04514	0.2
288.06323	0.2
301.03427	0.1
302.04199	11.6
303.04605	0.3
317.06531	100.0
318.06894	2.1
329.06552	0.2
359.07559	0.5
383.07159	0.2
479.11819	25.0
480.11932	1.2
641.17047	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69984	0.5
62.04847	0.4
64.69073	0.4
66.36347	0.4
67.05493	0.7
71.60133	0.9
71.60517	0.5
79.05501	0.6
81.07036	0.7
93.07053	0.5
98.54453	0.5
104.10703	0.7
383.08646	0.5
783.48639	100.0
784.48853	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	785.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.0
55.05509	11.1
57.03437	7.6
57.07055	1.3
61.02924	28.3
63.05353	0.9
65.03931	1.1
67.05505	26.4
69.03426	7.5
69.07072	9.8
70.04518	4.8
70.06580	2.3
71.04982	2.3
73.02907	6.8
79.05051	1.5
79.05489	21.4
81.03419	4.8
81.07056	25.1
83.04973	2.6
83.08620	7.9
85.02898	32.5
85.06540	1.5
91.03957	18.4
91.05479	26.4
93.07040	20.2
95.04982	5.8
95.08605	15.8
97.02893	21.5
97.06522	4.5
97.10175	2.6
98.20861	1.3
99.04449	2.2
101.02350	1.3
103.05479	2.2
105.07035	21.1
107.04943	6.0
107.08599	9.1
109.02880	2.1
109.06506	3.9
109.10157	5.8
111.04479	1.0
111.08115	2.1
114.57294	0.8
115.03944	2.1
115.05452	3.3
117.07017	19.9
119.04909	1.0
119.08582	13.1
121.06512	4.5
121.10146	6.9
123.08064	3.8
123.11718	1.4
125.09622	0.9
126.31241	0.9
127.03922	6.4
128.06236	6.2
129.07002	23.1
131.04942	2.5
131.08559	23.5
133.06488	5.2
133.10138	8.6
135.08080	3.4
135.11697	2.9
137.06046	1.5
137.09630	2.3
141.06984	10.7
142.07756	2.9
143.08553	20.4
145.04976	6.4
145.06462	6.2
145.10127	13.6
147.04413	1.2
147.08029	4.7
147.11681	4.0
149.09625	3.6
151.11162	0.9
151.55963	0.8
153.06999	1.9
154.07732	1.2
155.08549	15.6
157.06505	1.6
157.10123	10.3
159.08026	4.6
159.11690	9.1
161.06055	1.0
161.09627	2.8
163.06038	4.1
163.07321	1.3
163.11282	1.1
165.07004	2.1
167.07166	1.7
167.08586	7.1
168.09398	1.8
169.10112	12.8
170.07146	1.0
171.06609	1.0
171.08046	2.9
171.11697	7.4
173.06024	4.3
173.09621	3.3
173.13252	2.8
175.11189	2.4
177.12773	2.7
179.08583	3.5
181.10092	7.5
183.08038	1.1
183.11731	6.9
185.09654	2.7
185.13217	5.6
187.11191	1.8
189.09155	1.2
189.12778	1.9
189.16463	0.9
191.07089	1.1
191.08708	1.1
191.14432	1.0
192.09236	1.0
193.10173	3.9
195.11665	8.4
197.09579	1.6
197.13206	5.8
199.11169	1.3
201.12758	1.9
201.16412	0.8
203.14346	2.1
205.10338	1.4
205.12320	1.2
207.11719	3.2
207.13556	0.9
209.13292	4.3
211.11279	1.2
211.14841	3.7
213.12781	2.4
213.16412	1.3
215.14374	3.2
219.11754	1.1
221.13245	6.8
223.14806	5.7
225.12686	1.5
225.16260	1.5
227.14442	1.7
229.14169	1.3
233.13353	1.5
233.15387	1.4
235.14847	4.4
239.14310	4.6
239.18022	1.1
241.15950	1.7
243.17355	1.0
249.16495	1.7
253.15932	3.2
255.17633	1.3
257.15375	1.8
259.16998	1.5
271.16946	3.4
273.85663	0.9
285.18610	1.5
289.18030	1.2
303.19452	1.1
305.22491	1.1
315.21063	1.3
323.23660	3.4
333.22104	10.1
339.22940	1.1
341.24744	4.3
351.23163	31.3
352.23883	1.2
369.24203	24.3
369.28473	1.8
387.25232	8.7
389.24799	1.2
403.03842	0.9
415.28812	1.6
425.26822	7.4
433.29779	1.7
443.27921	100.0
444.28265	3.7
461.28992	60.3
462.29300	1.4
485.29169	1.2
503.29816	1.6
543.21790	0.9
587.31708	1.7
605.32831	2.5
613.29956	1.1
785.31616	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	0.7
67.05484	0.5
71.15032	0.9
77.03934	0.4
79.05479	2.0
81.07030	0.6
85.02915	0.4
86.09724	0.3
91.05480	3.5
95.04977	2.3
96.92467	0.3
103.05467	53.3
104.05823	0.5
105.07029	13.0
106.61922	0.4
107.04948	5.9
115.05451	2.3
117.07019	0.7
119.04942	6.6
119.34892	0.4
120.08070	0.4
122.03658	0.4
127.05364	0.3
131.04926	100.0
132.05252	0.7
133.02847	1.4
133.06490	13.0
137.05969	4.4
143.05969	1.0
145.06468	0.6
146.07245	0.5
147.03223	0.5
147.04404	10.3
149.06009	0.5
151.07578	1.1
159.08051	0.5
161.05981	23.3
163.07541	27.3
167.07034	1.0
172.05003	0.4
173.06029	1.0
175.07578	0.6
179.07045	5.8
185.05748	5.0
187.07419	0.8
191.06985	0.5
199.07487	1.3
201.05278	1.7
203.08675	0.5
217.08591	0.7
224.05261	0.4
231.08134	0.8
233.07878	1.2
241.53049	0.3
242.88440	0.4
248.08255	0.6
259.07590	1.0
267.70502	0.4
275.08911	2.2
291.10172	3.8
311.12811	0.8
321.11169	0.5
323.12796	2.1
411.14139	18.0
421.16260	0.5
441.15463	0.6
573.20923	19.7
574.21259	0.5
662.45587	0.4
783.29840	12.3
783.42426	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	0.8
57.03476	1.4
61.02927	4.4
65.03978	0.4
67.05506	7.0
69.03438	2.9
69.07094	0.9
69.38648	2.4
69.39075	1.4
71.01398	0.5
71.05040	0.4
71.60426	0.3
73.02912	3.7
79.05498	3.1
81.03470	1.3
81.07063	3.5
83.08649	0.6
85.02900	4.9
91.03967	3.1
91.05540	1.5
93.07043	2.6
95.05008	0.7
95.08596	2.5
97.02896	4.3
98.20658	0.8
99.04489	0.9
101.02435	1.5
103.03991	0.6
105.07102	1.2
107.08657	1.5
109.02930	0.9
109.10151	5.3
119.08611	0.7
121.10181	0.9
127.03990	1.6
131.08588	0.5
133.10211	0.6
135.11781	0.7
145.05070	0.6
145.10249	0.6
170.79256	0.4
173.11841	1.0
185.04291	0.9
195.10110	1.1
195.40553	0.4
229.14487	0.5
237.72063	0.4
243.08556	1.6
243.10815	0.4
254.46193	0.4
335.25940	0.8
413.17807	6.6
454.05060	0.4
502.17065	0.4
519.29272	7.4
520.29407	0.4
568.76868	0.4
629.61987	0.4
633.13440	0.5
691.40259	100.0
692.40247	2.8
763.41919	0.8
781.41492	20.5
782.40173	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
70.25187	1.2
70.25568	1.1
70.75699	0.4
81.46387	0.5
135.26282	0.5
163.80371	0.5
184.51012	0.6
223.57198	0.5
355.93103	0.5
416.02496	0.6
508.84872	0.5
617.20685	0.5
781.50677	100.0
782.50665	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	781.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
56.05024	0.4
57.03446	0.2
62.04605	0.3
63.30685	0.2
69.07065	0.3
70.68202	0.8
71.08629	12.3
72.04517	2.4
72.32679	0.2
73.02916	1.3
74.02096	0.1
74.02435	9.2
82.02938	13.4
82.06545	0.2
83.01342	1.4
83.03769	0.2
84.04517	1.0
84.08146	0.6
85.02899	0.4
86.09694	3.0
88.11265	42.7
96.04505	1.1
98.97560	0.2
99.05567	1.1
100.03970	3.9
101.02380	1.1
118.05012	3.5
119.03363	0.4
124.11201	0.4
128.03462	0.9
141.13846	2.7
142.12270	0.4
146.04477	19.8
149.07571	0.3
152.10677	0.5
158.99808	0.2
169.13354	63.3
170.11736	0.3
170.13708	0.6
187.14421	2.9
198.11238	4.1
215.13901	20.2
216.12303	40.9
217.12831	0.5
233.14951	100.0
234.15327	0.8
519.20801	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
61.72565	1.0
62.51217	0.9
76.32767	1.0
77.62461	1.0
115.07331	0.8
120.21810	0.9
121.18286	0.9
158.50652	1.1
168.47334	1.0
201.34868	0.9
246.47220	1.3
346.47879	1.1
421.79047	1.0
779.43323	100.0
780.43829	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	779.455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.4
56.96573	0.5
57.03436	1.8
59.04988	0.5
61.02931	5.8
67.05505	4.9
69.03430	3.1
69.07066	1.2
71.05005	0.9
73.02922	3.1
79.05487	3.7
81.03429	2.6
81.07053	4.5
83.04982	0.4
83.08614	1.0
85.02905	5.0
87.04491	0.5
89.06033	0.5
91.03952	2.2
91.05484	2.5
93.07042	3.6
95.04982	1.1
95.08621	3.4
96.05317	0.4
97.02883	4.8
99.04475	0.9
101.02374	2.1
105.07056	1.2
106.11718	0.4
107.08620	1.7
109.02863	0.9
109.10175	1.6
115.14457	0.4
119.08591	0.9
121.10162	1.9
127.03945	1.2
131.08574	1.4
133.10143	1.1
147.11691	1.1
149.09657	1.2
157.10143	0.6
168.23770	0.4
193.12221	0.5
203.05270	0.5
243.08461	2.5
283.06213	0.7
283.15195	4.8
317.18082	1.3
335.19080	0.8
335.25900	0.7
339.17725	0.5
391.21530	0.9
406.76678	0.6
501.23041	7.0
519.29242	5.8
694.25690	0.5
779.45514	100.0
780.45691	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	778.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
57.81567	0.3
66.63548	0.3
68.79623	0.2
70.06570	0.5
70.43687	1.0
77.03922	0.6
79.05488	2.9
81.07052	0.4
89.03924	0.3
91.05477	5.2
94.04192	0.3
95.04946	1.9
102.04644	0.6
103.05464	44.4
104.07298	0.3
105.04532	0.3
105.07027	20.4
107.04952	12.5
107.05704	0.5
115.05443	4.3
117.07001	0.3
118.04176	0.5
119.04945	7.7
119.08553	0.6
122.03622	0.6
123.04423	0.3
128.06215	0.5
129.06992	0.5
130.04185	0.5
131.04924	100.0
132.05318	0.5
133.06485	22.1
137.05971	17.1
143.05043	0.3
143.06081	1.4
145.06480	0.7
146.03624	0.8
146.07231	0.8
147.04407	16.0
147.08070	2.1
149.05974	1.3
151.07559	1.1
155.63177	0.3
156.05806	0.3
157.06427	0.6
159.08096	0.7
160.05170	0.4
161.05975	46.4
162.06725	0.7
163.07535	42.7
167.07047	1.1
168.05690	0.5
171.08022	0.5
172.05186	0.6
175.07533	2.9
177.05495	1.4
179.07030	18.1
187.07513	2.3
191.08612	0.4
197.08072	1.2
199.07549	6.5
202.07797	0.7
203.08495	1.4
207.08078	0.4
209.08147	0.5
217.08569	1.5
219.08020	0.9
220.08751	0.6
227.09151	1.1
231.08015	3.1
231.69368	0.3
232.08966	0.5
233.09538	0.5
235.07489	0.9
247.07533	0.5
248.08266	0.7
251.10542	0.5
259.07483	2.1
260.08252	0.8
261.09146	0.5
263.10648	1.5
265.08804	0.3
267.10120	1.3
276.07736	1.0
279.10168	0.7
291.10162	11.6
292.10629	0.5
293.11688	1.5
295.13229	0.7
303.77887	0.3
307.13150	0.4
308.10294	0.4
311.12735	2.0
320.98608	0.3
323.12766	9.6
341.13858	1.2
371.14786	0.4
412.61969	0.3
512.71283	0.3
533.21460	0.9
641.16864	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.9
55.05511	42.3
57.03179	1.5
57.03437	16.4
57.07066	2.5
59.04989	2.5
61.02918	2.9
63.72516	0.8
65.03920	2.8
66.80753	0.8
67.05503	100.0
68.05809	1.0
69.03422	2.7
69.06717	1.7
69.07066	18.8
69.34426	9.7
71.01341	1.2
71.04984	4.1
73.02902	1.3
79.05491	45.2
79.05960	2.3
81.03411	5.2
81.07055	56.2
83.04990	4.4
83.08618	16.1
85.02903	12.7
85.06526	3.3
87.04449	3.5
88.26695	0.8
91.03991	1.6
91.05481	25.0
91.45754	1.3
93.07044	43.4
95.04954	8.4
95.08604	40.9
95.09224	1.8
97.02898	4.4
97.06512	4.8
97.10166	18.4
99.04461	1.4
99.08079	1.8
105.07024	15.4
106.14326	0.9
107.08593	29.6
109.06511	2.2
109.10150	52.3
111.04419	1.6
111.08071	3.0
117.07004	6.3
119.08588	12.3
121.10147	18.9
123.08074	3.1
123.11699	4.5
125.09624	15.4
125.10441	1.6
129.06989	2.1
131.08562	11.0
133.10120	9.8
135.08060	1.9
135.11700	12.4
137.09587	3.9
137.13240	1.4
139.11119	1.8
143.08582	2.5
143.10661	3.6
145.10110	6.4
147.11690	8.4
149.09647	2.3
149.13280	6.4
153.12679	1.1
155.10680	2.2
157.10155	2.1
159.11699	6.4
161.13313	5.5
163.11148	4.1
163.14822	3.5
170.29826	1.1
171.11693	2.2
173.11723	13.0
173.13261	5.0
175.14799	1.9
181.12268	1.1
185.13281	1.9
187.14824	2.7
191.10564	1.2
193.12206	1.1
197.13290	1.4
199.13246	9.8
199.14806	1.2
209.11705	2.1
217.14349	1.1
227.12723	2.6
229.14348	35.7
243.21059	4.2
257.14127	1.1
259.20584	2.0
261.22134	13.1
267.15878	2.2
283.15393	2.0
299.23679	1.0
301.16467	12.0
311.25800	2.6
317.24637	1.2
335.25800	72.8
336.26105	2.5
337.20615	1.2
363.25317	2.0
459.34991	1.0
477.35782	9.0
489.35681	15.8
490.36078	1.2
543.36664	3.0
561.38281	5.5
571.01550	1.0
579.38531	1.6
682.59650	1.0
727.29987	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.8
55.05508	42.7
55.73574	0.9
55.78873	0.8
57.03183	1.3
57.03436	18.3
57.07059	2.9
59.04985	3.7
59.05258	1.0
61.02922	3.7
65.03938	3.4
67.05502	100.0
69.03453	4.3
69.03770	1.1
69.07066	17.1
70.66669	1.1
70.67016	2.4
71.01360	1.0
71.04978	3.9
73.02899	2.3
77.69181	0.9
79.05490	44.2
81.03416	6.5
81.07055	62.3
83.04990	4.8
83.05405	0.8
83.08614	16.6
85.02898	16.6
85.06528	3.1
87.04452	5.5
91.03934	1.5
91.04904	1.4
91.05476	29.3
93.07041	42.3
95.04971	7.0
95.08601	43.0
97.02927	4.6
97.06530	3.9
97.10168	22.4
99.08089	1.0
103.03927	2.3
103.05510	1.1
105.07029	13.8
107.04975	1.6
107.08592	29.0
109.06509	3.2
109.10153	54.7
111.08070	3.7
113.67463	0.9
117.06993	6.5
119.08586	16.3
121.06477	1.3
121.10133	19.2
123.08048	2.6
123.11706	4.9
125.08743	1.9
125.09622	23.8
129.06972	2.2
131.08556	10.5
133.10115	10.8
135.08017	1.7
135.11691	14.0
137.09612	4.1
137.13275	2.1
139.11150	2.4
143.08517	1.4
143.10681	4.0
145.10121	10.2
147.11691	7.8
149.09615	1.6
149.13255	7.3
151.11195	1.8
153.12611	1.0
155.08527	1.1
155.10658	2.8
157.10138	3.4
159.11685	6.5
160.54257	0.9
161.13231	3.9
163.11163	5.8
163.14798	2.8
165.12709	1.2
169.10080	1.6
171.11717	2.1
173.09534	1.2
173.11739	17.1
173.13252	4.5
175.11095	1.3
175.14832	2.1
177.12709	1.4
181.12184	1.4
183.11703	1.5
185.13245	2.1
187.14839	2.5
189.11238	1.3
191.10620	1.3
193.12277	3.0
197.13184	1.0
199.13287	12.4
199.14917	1.2
209.11731	2.6
211.13190	1.2
217.14217	1.7
227.12756	6.7
229.14334	56.8
232.42393	0.9
241.19460	1.2
243.21017	4.9
245.13882	2.3
257.13901	1.0
259.20657	2.2
261.22131	20.7
267.15936	5.6
271.20459	1.3
273.17072	1.0
277.21597	1.6
279.23441	1.0
283.15329	1.7
289.21564	1.3
297.22253	1.1
301.16464	17.2
315.23285	2.4
317.24753	3.1
326.27631	0.9
327.23267	2.1
333.24149	1.4
335.25790	89.2
336.26163	2.6
363.25375	2.6
382.27502	1.0
433.99274	1.0
459.34930	2.0
463.22278	1.2
469.33240	1.3
477.35712	11.4
478.36194	1.4
489.35770	21.2
543.36841	2.9
551.93872	1.0
561.38019	7.2
579.38605	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25837	1.8
55.01854	4.1
55.05510	40.8
57.03437	16.5
57.07071	8.3
59.04994	3.8
59.66831	1.6
61.02917	3.3
65.03951	4.2
67.05506	100.0
69.03418	4.6
69.07066	19.8
70.08751	7.3
71.05008	3.5
71.08635	4.0
73.02910	1.7
79.05495	41.3
81.03416	6.0
81.07060	59.6
83.04971	6.4
83.08630	13.9
85.02905	15.8
85.06522	2.6
85.10182	2.5
87.04467	7.6
89.06038	12.1
91.05476	23.8
93.07048	40.6
95.04977	9.3
95.08607	41.4
97.02900	4.2
97.06522	4.6
97.10182	20.8
99.11758	1.7
105.07041	18.4
107.08593	27.3
109.06540	4.0
109.10156	59.6
109.10921	3.1
111.08067	4.9
117.07004	7.2
117.34569	1.8
119.08580	15.3
121.10158	21.5
123.08075	2.8
123.11720	4.3
123.41758	1.8
125.09641	24.8
129.00409	1.7
129.07014	3.1
131.08565	9.2
133.08604	7.6
133.10135	9.3
135.11679	13.9
137.09616	3.3
139.11153	3.0
143.10678	2.0
145.10101	10.3
147.11674	6.4
149.09607	1.8
149.13269	8.2
151.11165	2.2
152.11461	2.1
153.12694	1.8
155.10667	2.1
157.10138	3.9
159.11684	6.9
161.13292	4.9
163.11206	4.4
163.14806	2.1
171.11737	3.0
173.11749	15.9
173.13115	4.2
175.11159	2.7
177.11235	3.9
183.11755	2.9
187.14854	2.3
199.11580	2.6
199.13235	10.9
209.11774	2.9
217.14404	1.9
227.12756	5.9
229.14354	52.6
229.16551	3.4
243.20998	4.3
245.13870	4.1
257.13956	2.1
261.22147	15.4
267.15961	4.8
289.21664	2.0
301.16544	14.4
335.25775	64.4
459.34592	2.7
477.35699	8.3
489.35867	14.9
543.36652	2.5
561.37866	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	775.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	27.0
60.93117	1.0
63.66809	1.0
71.95250	1.3
84.96041	4.3
93.06953	1.0
98.97586	44.9
110.97537	7.3
112.99149	9.1
116.98623	40.7
124.99136	1.7
127.90106	1.0
127.91055	1.0
128.97676	1.6
128.98605	20.1
131.00172	25.8
134.99658	22.7
140.00198	3.6
140.98615	3.3
141.75636	1.0
143.00148	9.5
146.99649	23.9
149.01222	47.5
149.02423	2.4
153.00711	2.2
154.01735	1.5
155.00244	1.1
158.01259	2.7
158.99648	28.3
161.01216	18.0
162.99132	1.9
165.00752	2.9
167.02304	16.2
170.99654	26.1
171.01045	2.1
172.02850	2.9
173.01241	8.9
175.02856	1.9
177.00713	43.7
179.02255	2.6
182.99634	1.7
184.02759	1.6
185.01184	7.1
188.98990	2.5
189.00717	48.1
190.03845	1.3
191.02312	13.5
194.99873	2.6
195.01787	5.9
197.01109	1.3
199.02747	5.1
200.02362	4.2
201.00700	10.3
203.02292	9.4
205.03917	1.9
207.01804	4.5
209.01309	1.6
209.03316	2.7
212.02301	6.9
213.00673	5.4
215.02299	3.6
217.03835	6.1
219.01776	20.9
221.03374	2.0
227.02274	3.5
231.01775	4.8
233.03339	5.0
237.02840	11.8
242.03447	2.6
249.03035	1.2
261.02774	20.6
275.04443	7.7
279.03900	26.5
291.04028	6.0
291.06863	1.1
293.05426	38.3
297.04926	11.2
302.05505	3.9
305.05475	1.1
309.04837	7.4
311.06482	16.6
316.07059	3.7
317.17899	26.7
321.04932	100.0
332.06454	1.6
334.08221	2.8
335.18954	10.7
339.05942	11.7
358.20438	2.1
362.07532	7.1
381.07050	7.7
395.16937	1.1
437.09717	26.0
453.09012	1.9
455.10748	64.5
539.25372	7.1
553.26868	11.1
571.27582	1.7
715.32111	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.2
57.07074	33.2
59.04998	1.3
67.05498	0.9
67.47536	0.6
69.03443	0.6
69.07071	4.9
71.08631	30.5
73.02914	1.2
73.06553	10.0
79.05499	0.6
81.07041	1.3
83.08620	4.7
85.10179	19.3
87.04468	10.8
89.06029	100.0
91.07595	0.7
95.08596	0.8
97.10159	4.9
99.11742	2.4
103.07632	0.7
107.07081	4.0
111.11713	3.7
113.05943	0.9
113.13288	1.4
113.74015	0.5
117.07028	0.6
117.09129	9.2
124.97844	0.6
125.13260	1.7
127.14838	1.6
130.08629	4.0
131.07068	2.6
133.08598	50.5
135.10210	1.3
141.16402	1.7
155.17906	1.3
161.11752	2.7
169.19518	0.7
175.09654	1.6
177.11220	22.6
194.63866	0.6
211.24269	2.0
221.13867	3.8
222.13458	0.6
239.14993	1.4
255.26877	1.7
283.17642	2.0
299.29474	5.0
306.91281	0.6
327.20105	0.9
327.53796	0.6
343.32101	2.6
371.23032	0.7
452.78204	0.6
547.26422	0.9
547.33978	1.0
548.60461	0.7
620.29938	4.8
723.48755	0.6
757.56104	1.3
774.59302	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.7
55.05509	22.7
57.03184	1.9
57.03436	17.3
57.07057	7.3
61.76247	1.6
64.31726	1.5
65.03945	2.8
67.05502	59.7
69.03426	3.5
69.07061	15.2
71.04980	4.1
71.08615	3.9
76.68227	1.9
77.90807	1.6
79.05105	1.4
79.05487	47.0
81.03413	89.3
81.07054	67.9
83.04972	6.8
83.08620	25.6
85.02900	2.9
85.06531	2.0
85.10181	2.1
89.06030	8.5
91.05472	35.2
92.61316	1.4
93.07040	54.2
93.07623	2.9
95.04958	32.3
95.08603	40.7
97.02879	4.6
97.06535	4.6
97.10159	7.0
98.21616	3.4
105.07030	32.2
107.04949	8.7
107.08587	25.6
108.93835	2.0
109.06530	4.5
109.10149	20.4
111.08083	8.2
111.11717	2.1
117.06966	8.3
119.08581	26.0
121.06487	4.3
121.10137	27.1
123.08070	3.2
123.11706	7.5
125.09615	2.7
129.06966	12.5
131.08560	17.1
133.08597	4.5
133.10123	18.0
135.07999	2.0
135.11662	11.9
137.09619	3.4
142.07771	3.0
145.10124	9.9
147.08069	4.5
147.11678	15.3
149.09612	5.8
149.13289	7.9
157.10098	11.1
159.11723	5.5
161.13252	5.4
163.11105	2.0
163.14815	4.2
165.12741	2.2
171.11789	2.0
173.13272	6.8
175.11133	8.9
175.14848	2.1
187.14870	3.3
189.11223	3.5
193.12241	25.0
227.12794	6.7
229.85226	1.8
243.21100	5.4
249.14926	3.1
259.13342	2.3
261.22064	20.0
267.15897	100.0
268.16159	2.2
273.15021	2.2
301.25287	6.4
309.16867	2.4
317.24850	5.3
335.25763	94.0
336.26212	2.0
435.27335	2.3
435.32584	5.2
453.33624	8.8
471.34402	3.3
490.69351	1.9
527.37317	64.5
545.38324	43.5
559.38947	2.5
569.37988	4.1
612.42731	2.0
635.38916	2.1
807.40277	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.1
55.05512	32.0
57.03425	12.6
57.07074	5.3
61.02918	16.8
65.03937	3.6
66.40440	3.6
67.05505	85.2
67.79910	3.2
69.03426	8.4
69.07072	25.1
70.78559	7.5
70.78924	7.2
71.04991	4.8
73.02917	5.5
79.05492	52.1
80.84319	3.2
81.03434	4.9
81.07059	69.5
83.08611	12.9
85.02897	11.1
85.98523	3.2
91.03916	4.4
91.05487	54.5
93.07046	71.0
95.04971	7.0
95.08612	65.6
97.02889	14.6
97.06517	6.6
97.10191	4.4
97.67852	3.4
105.07030	57.7
107.08588	51.0
107.58677	3.4
109.10133	21.3
111.08106	4.5
117.07020	21.7
119.08588	50.7
121.06542	3.8
121.10136	32.8
123.08069	4.1
123.11695	8.9
128.06284	3.9
129.07010	13.1
131.08562	36.3
131.34938	4.0
133.10132	39.4
135.11687	24.1
141.06961	4.1
143.08578	20.7
145.10117	34.0
147.11707	39.3
149.13263	14.2
155.08607	5.7
157.10127	16.0
159.11713	24.5
161.13258	28.4
163.14883	4.9
169.10115	10.9
171.11659	17.8
173.13208	17.7
175.14778	9.0
177.12718	4.0
183.11641	8.6
185.13347	11.6
187.14819	11.1
190.44376	3.4
195.11845	4.6
197.13260	8.0
199.14876	7.3
209.13200	4.5
211.14719	5.6
213.16418	4.1
215.17929	3.9
225.16452	4.8
231.06898	3.5
237.28609	3.6
241.19676	18.8
243.20972	5.5
257.18976	7.9
259.20547	43.2
261.22256	6.4
333.24252	32.0
335.25821	60.5
337.27588	4.3
339.23184	4.4
367.22430	5.1
519.42578	6.0
529.38300	4.9
593.45599	8.9
611.46698	100.0
612.49139	4.0
701.46643	5.1
719.49194	5.5
755.49896	4.6
773.51196	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	773.2127
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
54.16921	0.2
55.01862	0.2
56.40384	0.2
57.03429	1.3
61.02916	0.4
68.99784	0.3
69.03422	0.8
71.01313	0.2
71.04988	7.9
71.10583	0.3
71.10924	0.2
75.04473	0.3
81.03400	0.5
83.04976	0.4
85.02899	11.2
87.04480	0.3
94.02547	0.2
94.56439	0.2
97.02884	1.3
109.02851	0.4
111.00799	0.6
111.04436	0.4
120.91761	0.2
121.02852	0.7
127.03919	1.0
128.90147	0.2
129.05463	2.8
137.02345	2.0
145.04955	0.4
147.06494	0.8
149.02296	0.5
153.01799	2.3
163.03844	0.4
165.01840	1.9
166.02646	0.2
173.00920	0.2
173.06013	0.3
178.51140	0.2
183.02850	0.6
183.04314	0.2
201.05426	1.0
229.04953	2.8
238.31807	0.2
247.06094	0.5
257.04449	2.1
274.04703	0.7
275.05502	0.2
285.03839	1.1
303.04965	100.0
304.05316	1.8
345.06024	0.3
465.10266	22.1
466.10715	0.6
595.13123	0.2
600.75116	0.2
702.74438	0.2
773.49524	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.2
55.05507	24.0
57.03428	15.3
61.02916	14.0
65.03925	5.3
67.05500	80.4
69.03403	8.0
69.06727	2.3
69.07068	29.7
70.78735	4.6
71.01353	2.4
71.04986	6.0
73.02898	7.9
79.05051	4.1
79.05487	60.9
81.03404	7.9
81.07049	80.0
83.04974	3.8
83.08617	15.0
85.02900	14.4
91.03934	5.4
91.04905	2.4
91.05476	61.1
93.07040	81.7
95.04957	12.7
95.08600	60.8
97.02886	9.4
97.06531	4.7
97.10152	7.0
99.08013	2.4
105.07021	60.9
107.08580	40.2
109.02846	2.9
109.06490	4.0
109.10151	24.5
115.05467	4.1
117.07002	20.7
119.08568	56.3
120.09837	2.0
121.10137	31.6
123.11681	7.3
127.03855	3.0
129.07018	14.1
131.08560	40.6
133.10120	41.4
135.11662	21.3
137.09656	2.7
137.34195	2.3
137.96114	2.0
139.11098	2.8
140.43658	2.4
141.07011	3.0
142.07851	2.2
143.08554	17.0
145.10115	30.1
147.08112	2.4
147.11687	31.3
149.09613	3.4
149.13223	12.9
155.08510	6.5
156.09369	2.9
157.10101	14.3
159.11676	24.6
161.13234	27.8
163.14774	3.8
169.10127	7.5
171.11649	15.2
173.13225	24.1
175.14786	12.8
177.12727	2.6
181.10135	5.1
183.11641	8.4
185.13255	13.3
187.11238	4.0
187.14821	9.1
189.12691	3.6
195.11681	3.9
197.13263	9.5
199.14763	7.9
201.16315	5.2
209.13095	4.4
211.14809	4.5
213.16396	5.8
223.14752	3.8
225.16377	3.0
231.17618	2.4
231.21123	3.2
241.19566	21.6
243.21265	3.3
257.18988	7.0
259.20560	45.4
261.22147	9.1
275.20059	4.2
277.21634	3.4
315.23080	4.3
333.24188	33.5
335.25775	66.9
337.27420	3.7
353.28616	3.6
367.22647	3.3
385.23508	5.4
463.97617	2.8
519.41956	4.6
593.45557	8.7
609.44800	6.8
611.46625	100.0
635.46570	4.2
701.47815	5.8
719.47888	4.4
737.49310	3.9
755.50140	5.7
773.52136	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	773.2126
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01848	0.1
55.05482	0.2
57.03432	1.2
58.34488	0.1
61.02924	1.2
66.97813	0.1
68.99775	0.4
69.03388	0.4
71.04990	7.8
71.10560	0.3
73.02877	0.4
75.04439	0.6
81.03368	0.3
83.04939	0.4
84.09246	0.1
85.02899	10.5
87.04443	0.3
91.03967	0.7
97.02879	0.8
98.97559	0.2
99.04445	0.2
100.52295	0.1
109.02853	0.5
111.00742	0.6
111.04403	0.4
121.02852	0.6
127.03863	0.5
129.04628	0.2
129.05484	2.7
134.79845	0.2
137.01341	0.2
137.02325	2.8
137.06052	0.2
145.04921	0.4
147.06483	0.6
149.02290	0.4
153.01814	2.3
163.03874	0.5
165.01836	1.7
166.02560	0.2
167.03334	0.2
173.05972	0.3
177.05482	0.2
182.07359	0.2
183.02831	0.7
183.04311	0.2
187.03813	0.2
195.02869	0.2
201.05385	1.1
205.04895	0.2
213.05423	0.2
219.02881	0.1
219.06630	0.3
221.25874	0.2
229.04945	3.3
237.02838	0.1
247.05991	0.8
257.04456	2.3
274.04724	0.7
283.89822	0.2
285.03918	1.2
302.04071	0.2
303.04965	100.0
304.05270	2.2
306.46552	0.2
345.05862	0.3
361.11765	0.3
444.55688	0.1
449.10910	0.3
465.10266	21.2
466.10373	0.7
466.90793	0.2
550.90015	0.2
578.25562	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06091	5.9
54.53112	5.3
56.96563	23.7
64.44420	5.1
69.90917	4.9
70.95216	5.2
71.58016	5.0
71.58398	10.5
74.02429	6.8
82.06595	6.5
83.04973	13.2
97.37149	5.3
109.99206	13.6
116.00307	7.6
118.05000	8.0
128.00220	18.5
140.00203	12.9
146.01277	41.1
146.04466	19.8
158.01259	32.0
163.07144	20.6
164.02304	8.1
170.30772	6.4
172.02818	38.0
173.02299	29.6
176.02277	7.6
186.04385	18.6
190.03835	14.2
191.03432	8.9
194.47394	5.4
201.01833	23.0
201.22330	6.0
204.01753	13.7
210.04352	15.8
219.02863	20.7
221.05977	8.3
228.05484	30.7
228.66031	5.5
237.05650	12.2
237.91975	5.1
239.07042	32.2
240.05347	9.0
257.08185	8.0
265.05026	21.6
283.02658	9.4
283.05896	44.1
301.07077	79.5
301.41452	6.0
307.36786	5.9
319.08176	10.1
327.06088	16.1
345.07333	9.4
393.12033	5.7
409.10403	9.2
411.13480	6.5
427.11371	100.0
445.12805	7.7
491.14343	18.5
509.15518	81.3
527.16718	70.4
543.54443	5.7
618.83649	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	769.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	16.7
57.30874	0.5
65.65742	0.5
67.05466	0.8
69.03412	0.7
69.07071	1.1
70.06547	1.6
70.62150	1.9
71.95237	0.9
74.97602	0.9
79.05467	1.4
81.03354	0.9
81.07051	13.2
83.03657	0.5
84.96028	5.3
85.02861	0.8
86.09664	0.6
91.05463	0.9
93.07015	1.0
94.97224	0.5
95.08562	2.3
97.96786	1.3
98.97575	44.6
102.97033	1.8
105.06998	1.2
107.08542	0.8
109.02812	0.6
109.10126	1.0
110.97542	3.6
112.99118	4.9
115.97789	1.2
116.98611	40.6
119.08586	0.6
128.97800	0.7
128.98592	7.7
130.99202	0.9
131.00162	14.6
133.98798	0.7
134.99648	25.8
137.05942	0.8
137.13228	0.7
140.00174	2.5
140.98573	1.5
142.96556	0.8
143.00114	1.8
144.98047	1.7
146.99634	10.2
149.01213	19.3
153.00716	2.7
156.97977	0.7
158.01210	2.2
158.99634	20.1
160.97549	1.9
161.01225	5.5
162.99106	4.0
165.00711	1.3
167.02242	2.4
167.07072	1.0
170.01231	0.9
170.99673	3.1
172.02797	1.0
173.01213	16.6
174.99072	2.4
177.00697	37.5
179.02298	0.9
181.00069	0.7
184.97610	0.8
185.01184	1.1
186.99112	0.9
189.00722	4.6
191.02255	20.9
193.00087	1.0
193.05003	0.6
195.01779	5.1
199.02748	0.8
199.06396	1.0
200.02264	1.4
201.00711	6.5
202.98630	5.3
203.02261	2.0
203.05766	0.7
205.00145	0.9
207.01753	1.5
209.03314	1.6
211.10022	1.6
213.07986	3.2
214.03868	2.1
217.07394	1.8
219.01743	19.4
220.99701	1.7
225.07941	1.2
229.07460	1.1
229.11095	1.6
231.08978	4.8
235.01190	0.7
237.02797	31.5
239.09502	1.4
241.11069	1.3
242.03302	1.4
243.09018	2.0
244.99690	4.6
247.08485	1.2
251.09525	2.3
253.02266	2.6
253.11060	5.2
255.03848	2.5
255.09024	4.4
257.10718	1.4
259.12152	2.6
260.04385	2.5
261.02853	1.0
263.00726	1.6
265.11047	1.0
269.10599	15.5
271.12219	1.7
273.10068	2.4
277.02399	0.7
279.03906	1.4
279.08975	1.3
280.09842	0.9
285.91296	0.7
287.11618	8.2
292.12064	1.0
295.12259	1.2
297.10022	1.4
298.10638	0.8
307.12189	0.6
315.11108	0.8
331.15689	4.7
349.16891	9.7
355.14227	38.3
367.17889	100.0
368.18301	0.9
372.18060	0.7
373.15317	32.9
385.18933	21.6
396.16785	2.7
397.15302	84.9
398.15494	0.9
408.20572	6.6
415.16345	20.2
441.14282	37.3
469.20422	1.1
495.18976	2.2
503.30667	1.1
589.24805	1.1
668.32336	0.6
725.37830	0.8
769.36798	1.5
769.55475	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	765.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.3
55.05510	1.2
57.03439	1.6
61.02926	4.8
63.74184	0.3
65.00951	0.2
67.05503	4.0
69.03431	2.8
69.07072	1.4
69.58943	1.8
69.59364	0.5
71.01373	0.3
71.04990	0.4
73.02915	3.7
79.05490	2.8
81.03426	2.3
81.07050	4.7
83.04968	0.5
83.08633	0.9
86.63591	0.3
87.04473	0.3
91.03948	3.1
91.05477	2.2
93.07045	4.2
95.04991	0.9
95.08599	3.0
97.02894	3.8
97.06532	0.6
97.10134	0.3
99.04459	0.9
101.02386	1.4
104.09502	0.3
105.07024	1.5
107.08572	1.7
109.02892	0.7
109.10171	0.8
111.04234	0.2
111.08067	0.3
115.48672	0.3
116.52439	0.3
117.07041	0.3
119.08559	1.4
121.10126	2.4
121.10770	0.2
123.11723	0.3
127.03893	1.3
129.07030	0.4
131.08585	1.0
133.10146	0.8
135.11702	0.6
137.70773	0.3
139.11185	0.6
145.04962	0.5
145.10149	0.5
147.11671	0.6
149.09630	0.8
149.13234	0.4
157.10098	0.4
167.10698	0.4
175.11266	0.7
185.04292	0.8
193.12305	0.6
203.05269	0.4
206.79588	0.3
225.10953	0.3
238.45697	0.3
243.08438	2.1
251.12569	0.5
269.13596	1.9
325.16171	0.3
335.25903	0.8
341.85779	0.3
425.17868	0.5
443.18884	3.3
469.20419	1.6
487.21472	3.7
519.29279	6.9
670.22687	0.3
721.41034	1.4
747.42767	2.4
765.43884	100.0
766.44299	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	765.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51910	0.6
69.23766	0.6
71.60635	0.8
83.90816	0.6
107.70319	0.6
127.57201	0.7
130.66049	0.7
134.03429	0.6
143.58014	0.7
153.40912	0.7
176.17590	0.7
238.55809	0.6
260.74991	0.7
765.53296	100.0
766.53815	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	766.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83395	1.1
54.51542	1.1
57.07074	18.0
69.07081	2.4
69.49346	1.1
70.25847	3.2
71.08629	40.1
73.02917	2.3
73.06554	4.0
79.05470	2.0
85.10178	21.4
87.04462	30.6
89.06026	100.0
91.03915	1.3
91.05459	12.0
93.07042	6.4
95.04956	2.6
95.08634	1.5
103.05457	1.9
105.06997	4.2
107.04966	2.9
107.07062	4.6
107.08600	4.2
116.76957	1.1
117.06994	2.6
119.04937	2.4
119.08562	4.9
121.06507	18.5
127.14834	1.6
129.06990	1.4
130.08664	3.3
131.07025	11.5
131.08594	1.3
133.08597	72.9
135.08037	6.3
135.11682	2.9
145.10124	1.5
147.08051	11.6
149.09625	6.2
150.06755	5.0
163.11194	4.9
164.39169	1.2
165.09119	6.7
167.10730	1.5
175.09689	6.9
175.11064	1.3
177.11229	23.4
177.12669	1.2
181.03618	1.1
184.67511	1.1
191.10674	3.1
193.10637	2.5
193.12251	2.8
209.11769	2.1
211.13326	3.3
219.12227	1.3
221.13882	3.1
235.13336	2.6
247.20532	15.2
255.15852	1.8
273.22095	6.1
279.15976	1.6
280.70834	1.2
283.17453	1.4
289.25317	2.5
291.23157	25.5
317.24625	1.9
335.25702	7.2
367.12439	1.3
384.90631	1.1
510.26703	1.3
749.49976	2.9
766.52692	4.2
767.45685	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	763.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
54.80328	0.4
55.05517	1.3
57.03438	2.5
61.02925	5.9
67.05167	0.6
67.05508	6.4
69.03429	3.3
69.07093	1.0
70.73933	1.2
71.04998	3.9
72.29260	0.4
72.93787	1.0
73.02919	4.4
76.11066	0.4
77.48972	0.4
79.05485	3.3
81.03439	1.6
81.07059	7.5
83.04961	0.7
83.08640	0.9
85.02903	5.3
85.06555	0.8
87.73164	0.4
90.94833	0.8
91.03957	3.4
91.05472	2.6
93.07056	4.0
95.04981	0.7
95.08598	3.0
97.02905	5.1
97.06559	0.5
99.04478	1.3
101.02390	2.5
105.07021	2.3
107.08588	2.9
109.02910	1.0
109.10164	1.1
117.07021	0.4
119.08605	0.6
121.10193	1.2
123.11735	1.4
127.03961	1.4
129.05606	0.4
131.08611	1.0
133.10118	2.4
135.11702	0.9
138.18587	0.4
144.95802	0.5
145.10094	0.4
147.11745	0.5
149.13295	0.7
151.11238	1.5
152.03835	0.4
159.11694	0.5
163.14743	0.4
183.13840	0.6
185.04239	0.6
187.13339	0.6
201.03625	0.5
203.05376	0.6
229.05318	1.5
243.08450	3.1
257.17557	0.9
267.06854	1.3
267.15576	2.1
285.07877	4.6
333.15088	4.8
335.25781	0.5
341.10605	1.2
453.21744	0.5
463.60986	0.4
485.23605	9.0
519.29285	5.9
763.46033	100.0
764.46674	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	765.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	0.7
70.78750	0.7
70.79117	2.4
75.89822	0.6
79.05479	1.1
81.07038	1.2
85.89827	0.9
91.03913	0.9
91.05459	2.4
94.04174	4.6
95.04948	1.1
103.05471	1.7
105.07030	6.9
107.04923	4.3
109.06495	1.6
115.05418	2.0
120.67853	0.8
122.03625	7.5
129.07007	1.3
131.04930	2.4
133.06477	5.7
137.05966	100.0
145.06490	0.7
146.03610	2.1
149.05943	0.8
151.34993	0.7
159.08113	1.1
161.05969	34.0
169.02597	1.0
171.08049	1.7
173.05989	1.4
175.07518	1.7
184.04964	12.3
185.05750	0.9
187.07526	2.4
191.08546	1.0
199.07536	13.2
199.88992	0.8
202.07756	5.1
203.08557	10.7
204.09416	1.1
219.08028	2.9
220.08893	4.2
231.08040	20.4
232.08763	4.2
235.11163	2.1
245.09619	1.4
247.07567	2.3
248.08307	8.0
249.09007	1.4
258.06696	1.0
259.07513	16.0
260.08298	13.3
262.09811	1.3
263.10623	8.3
264.10971	1.0
275.06982	2.2
276.07730	8.3
277.08530	2.2
291.10120	54.4
292.10791	3.5
295.09418	1.1
295.13226	1.7
307.09702	0.8
308.10266	2.3
314.09125	1.8
323.12750	54.9
324.12827	1.1
345.10941	40.2
386.13431	1.2
394.13931	1.0
555.19849	48.4
765.28833	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	762.5568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.1
57.07072	33.1
59.05007	0.9
61.02894	0.6
67.05490	1.8
69.03425	0.7
69.07063	1.7
69.29375	1.6
69.29793	4.8
70.06590	0.6
71.08628	22.4
73.02900	1.4
73.06553	11.7
75.75420	0.5
76.13095	0.7
79.05481	1.4
81.07059	0.8
83.08614	2.2
85.10178	22.3
87.03981	1.0
87.04467	11.4
87.04965	1.0
89.06027	100.0
91.07597	1.7
95.04947	0.6
95.08616	0.9
97.02903	0.7
97.10166	3.4
98.20765	0.9
99.11732	4.3
102.09205	0.6
105.03384	1.2
107.07070	4.6
107.08560	0.6
111.11710	0.7
113.06030	0.8
113.13281	2.0
115.07624	0.6
117.09127	9.5
130.08650	4.1
131.07036	4.6
133.08595	50.6
135.10162	1.3
155.17935	4.4
161.11769	2.2
175.09685	2.7
177.11215	21.6
199.20520	3.2
200.84795	0.6
221.13832	4.1
228.22806	0.5
239.14848	1.5
240.23299	1.2
243.23174	7.6
256.26398	0.7
283.17551	1.6
287.25797	3.7
291.38287	0.7
327.19907	1.2
502.46512	0.6
519.29584	1.1
591.35657	0.9
745.40332	0.8
745.53033	1.1
762.40485	5.2
762.55518	1.8
763.42072	7.4
769.23956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.9
55.01861	4.8
55.05512	22.0
57.03441	22.1
57.07069	2.4
65.03930	3.2
67.05503	69.3
69.03433	3.6
69.07067	22.3
69.41177	14.6
71.04985	2.7
72.60535	1.9
79.05055	2.7
79.05493	45.8
81.03415	95.3
81.07054	68.6
83.04971	6.9
83.08616	27.9
85.02882	2.6
85.06543	2.9
87.04489	1.7
89.06030	3.0
91.03928	1.8
91.05477	42.1
93.07043	51.1
95.04962	33.4
95.08606	47.9
97.02910	3.2
97.06516	5.1
97.10194	7.4
98.20757	2.5
103.05440	1.9
105.07030	37.2
107.04968	8.1
107.08592	28.5
109.06492	5.6
109.10155	21.1
111.04452	2.6
111.08061	7.8
115.05460	3.9
117.07055	8.1
119.04935	2.6
119.08580	28.1
121.06488	5.7
121.10133	25.8
123.08028	4.2
123.11701	8.0
125.09655	3.1
129.06976	14.0
131.08556	21.3
133.06453	4.1
133.10114	17.2
135.11710	16.1
137.09634	3.3
143.08542	3.0
145.10130	13.0
147.08047	5.2
147.11699	17.0
149.09641	7.2
149.13310	10.9
157.10109	10.6
159.11815	8.7
161.09569	1.7
161.13248	6.9
163.11086	2.0
163.14815	4.4
165.12746	1.9
169.10152	1.5
171.11638	3.8
173.13272	8.1
175.11142	11.1
175.14790	2.7
185.13200	2.0
187.14827	4.3
189.11208	4.1
193.12238	21.6
211.13229	3.6
216.20302	1.5
227.12804	6.4
235.13274	2.4
243.21083	4.7
247.17026	1.6
249.14769	3.2
261.22150	20.0
267.15909	100.0
279.23123	2.0
285.22104	1.7
293.21414	1.6
299.23685	2.0
301.25266	7.4
309.17090	2.4
311.25693	2.8
317.24609	3.7
335.25793	94.3
336.25955	3.1
411.82413	1.7
421.25681	2.8
435.27191	2.4
435.32413	6.1
435.69403	2.0
453.33438	6.5
471.34534	6.1
475.30331	2.3
494.68030	1.9
509.35629	2.3
527.37335	71.3
545.38318	48.0
552.13831	1.7
569.38159	4.2
760.42444	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	760.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75011	0.8
55.05499	2.4
57.07072	37.2
59.04981	1.3
69.07066	3.9
71.08627	34.0
71.60681	1.6
73.02893	1.3
73.06547	10.9
81.07078	1.5
83.08619	5.0
85.10178	20.1
87.04467	12.5
89.06027	100.0
97.10163	4.4
99.11728	1.9
107.07070	6.7
111.11727	3.1
113.13280	1.6
117.09121	8.7
125.13272	2.3
127.14798	1.7
130.08649	4.0
131.07016	3.0
133.08595	53.1
135.10129	1.0
137.73589	0.8
140.74248	0.8
141.16374	2.1
147.72020	0.9
161.11742	2.1
172.52272	0.9
175.09663	1.5
177.11206	18.2
197.22630	1.8
219.12294	1.0
221.13878	3.2
231.76619	1.0
241.25287	1.6
280.53351	0.8
283.17569	1.2
285.27768	6.4
289.24084	0.9
327.20273	1.4
329.30679	4.4
343.46240	0.9
402.63873	1.0
547.32910	1.7
696.24689	0.9
743.55078	2.0
760.57422	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
55.93531	0.2
66.04712	0.4
70.00124	0.8
70.00536	0.5
76.26754	0.2
79.05492	1.8
81.07058	1.0
84.08091	0.2
91.05479	1.7
94.04181	3.4
95.04977	0.4
98.21371	0.3
103.05448	1.6
105.07022	6.4
107.04942	2.8
109.06486	1.4
115.05436	1.7
118.04206	0.5
122.03633	7.3
128.06207	1.3
129.07001	0.5
131.04893	1.2
131.29892	0.2
133.06476	4.9
135.04407	0.3
137.05966	100.0
138.06300	0.6
138.88966	0.3
141.07013	0.5
143.04955	0.3
143.06029	0.3
143.08513	0.4
145.06480	0.6
146.03616	2.3
147.08066	0.6
149.05989	0.6
156.05663	0.7
157.06456	0.4
159.08032	0.6
161.05969	33.8
162.06456	0.3
163.07564	0.3
167.04958	0.5
167.06949	0.3
168.05695	0.4
169.06552	0.2
171.08047	1.0
173.06000	0.3
175.07545	1.2
181.06288	0.2
184.05209	2.0
185.05954	0.4
187.07561	1.9
189.06920	0.4
189.09090	0.2
190.07761	0.3
191.08514	0.8
192.09323	0.4
199.07530	11.2
202.07747	5.3
202.09482	0.4
203.08533	11.6
204.09262	0.9
205.06488	0.8
206.07227	0.4
213.06866	0.4
215.08574	0.7
217.08406	0.3
218.07198	0.5
219.07994	3.1
220.08794	3.3
221.09586	0.4
230.07220	1.9
231.08031	20.0
232.08774	3.9
233.05923	0.5
233.09602	0.5
234.06694	0.5
235.07506	0.5
235.11172	1.2
237.09204	0.5
241.06606	0.3
242.07314	0.4
245.09642	0.9
247.07536	3.1
248.08308	11.4
249.09122	1.2
251.10660	0.3
258.06705	1.4
259.07535	16.6
260.08295	13.7
261.09091	1.1
262.09894	1.0
263.10648	9.5
265.08630	1.0
273.09106	0.6
274.09720	0.3
275.07098	1.6
275.09979	0.4
276.07800	8.0
277.08521	2.6
279.09967	0.4
280.10953	0.4
290.09232	0.4
291.10126	59.2
292.10880	3.1
293.08017	1.3
295.09637	1.2
295.13229	1.2
307.09644	0.3
308.10440	2.2
311.12680	0.4
323.12747	63.4
324.13071	0.5
474.74622	0.2
512.20801	0.2
533.21448	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
55.05507	14.8
57.03445	6.6
57.07065	3.4
59.05008	1.5
61.02909	3.6
63.49752	0.8
65.03930	2.9
67.05500	68.5
69.03423	2.1
69.07063	12.0
69.66702	6.0
71.04988	17.9
71.08624	1.1
78.58167	1.0
79.05490	39.9
81.03404	1.1
81.07053	97.6
82.07394	1.1
83.04969	3.4
83.08604	8.5
85.02900	3.9
85.06538	8.7
85.46194	0.9
91.04898	1.1
91.05477	29.5
93.07036	42.7
95.04956	5.4
95.08600	28.6
97.02889	1.9
97.06518	5.0
97.10156	2.9
98.20715	1.1
99.08079	1.1
105.07022	16.4
107.08586	22.9
108.06210	0.8
109.06497	2.6
109.10155	12.2
111.08088	2.1
117.07019	4.2
119.08580	8.2
121.10133	15.6
123.08015	1.4
123.11696	13.7
125.09625	1.1
129.07008	1.0
131.08539	9.9
133.10124	17.4
133.62495	1.0
135.11668	10.2
145.10123	4.1
147.11665	3.2
149.13231	7.2
151.11160	4.7
159.11697	7.2
161.13263	3.1
169.12190	1.7
173.13206	2.3
175.14844	1.6
177.12785	2.9
183.13776	3.3
183.94394	0.9
187.13348	4.3
187.14784	1.8
189.44409	1.1
195.13644	1.2
227.16417	1.4
243.15956	1.2
257.17282	1.2
261.22205	2.5
269.17419	7.2
282.20422	0.9
301.20074	15.3
335.25769	34.7
371.04169	0.9
419.96347	0.9
461.46585	1.0
485.36157	2.5
503.37292	100.0
504.37680	5.0
517.39069	5.8
529.38916	12.6
530.31689	1.0
561.41473	95.5
562.41870	6.7
732.78308	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
55.01875	7.2
55.05511	20.2
56.09719	1.4
57.03441	16.9
57.07080	2.9
60.97024	1.7
61.02919	4.8
61.46630	1.4
65.03934	2.1
67.05502	65.2
69.03409	3.8
69.07069	20.3
69.33979	5.2
69.34398	9.5
71.01321	2.8
71.04980	4.5
71.08612	1.7
79.05492	59.1
79.05962	2.9
81.03414	13.3
81.07056	62.8
82.30597	1.4
83.01318	1.7
83.04980	14.7
83.08619	13.8
85.02898	6.6
91.03931	1.5
91.05477	34.1
91.51398	1.7
93.07042	64.3
95.04960	11.6
95.08604	47.9
97.02902	9.5
97.06512	7.2
97.10142	4.7
98.34525	1.5
99.04471	2.8
105.07040	18.3
107.04974	9.2
107.08595	35.9
109.06535	5.0
109.10152	19.6
110.10477	1.7
110.76979	1.4
111.04445	18.4
111.08091	4.7
111.11708	3.6
117.07014	11.4
119.08588	20.8
121.06482	4.0
121.10141	40.7
123.04456	1.7
123.08073	3.4
123.11706	6.1
125.09631	4.9
129.07016	3.4
130.07849	1.9
131.08578	17.3
133.10139	10.6
135.08072	3.4
135.11687	21.9
137.09602	3.4
139.11165	5.8
143.08563	1.7
145.06540	2.3
145.10104	20.3
147.08014	2.5
147.11682	5.4
149.09624	3.6
149.13268	4.2
151.11220	1.6
153.12770	10.9
155.08514	2.4
159.11722	5.8
160.84497	1.5
161.13290	4.8
163.11174	30.9
163.14833	3.0
173.09604	5.0
173.13280	4.5
179.14304	1.5
181.12239	11.5
187.14699	3.8
189.08986	1.6
191.10635	10.4
209.11726	23.5
227.12759	23.8
243.21097	4.0
245.13809	11.5
259.20624	2.0
261.22134	15.0
265.14462	4.7
283.15393	41.8
299.23581	2.0
301.16449	62.6
315.23141	1.6
317.24786	3.1
333.24252	2.8
335.25790	100.0
336.26453	2.1
365.63831	1.6
405.31860	1.7
432.12961	1.8
451.32086	5.3
469.33002	4.2
525.35632	5.8
543.28400	2.1
543.36823	56.0
561.37817	80.7
562.38153	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01853	3.8
55.05508	16.9
56.04969	1.4
57.03440	7.3
60.21858	1.9
61.02913	3.0
65.03926	3.4
67.05502	57.0
67.05864	2.8
69.03416	3.2
69.07069	16.2
71.04976	5.0
79.05489	36.6
81.03391	2.6
81.07053	45.8
83.04977	7.1
83.08615	8.8
85.02898	6.0
85.06530	2.6
91.03946	3.0
91.05479	35.8
93.07039	40.4
93.07619	2.7
95.04955	10.9
95.08603	28.1
97.02893	4.9
97.06510	7.1
97.10171	2.7
97.44641	1.4
99.08060	3.1
105.07028	23.1
107.04942	6.2
107.08585	26.8
109.06493	6.1
109.10150	21.0
111.04446	7.9
111.08049	3.3
113.06029	2.5
115.05492	1.5
117.07018	13.2
119.08575	22.5
121.06487	3.8
121.10125	18.4
123.08067	3.7
123.11701	4.3
125.09683	2.7
129.06993	6.2
131.08572	19.3
133.06482	1.7
133.10124	24.0
135.08009	4.9
135.11693	17.9
137.09642	5.5
137.21126	1.5
141.06978	2.6
143.08548	7.4
144.09299	2.2
145.06485	2.4
145.10115	18.6
147.08032	4.2
147.11716	13.2
149.09581	6.4
149.13261	4.8
151.11139	2.1
155.08551	5.9
157.10120	8.5
159.11670	11.9
161.09578	2.8
161.13257	5.8
163.11160	9.2
163.12393	1.7
169.10081	4.0
171.11664	6.1
173.09615	3.9
173.11836	2.1
173.13208	7.2
175.11137	2.7
177.36577	1.5
181.10138	1.6
181.12248	2.8
183.11711	3.5
185.09543	2.5
185.13200	4.6
187.14799	1.7
191.10716	4.5
197.13286	3.8
199.14809	3.2
201.12733	1.9
207.13881	1.6
209.11699	13.3
209.13342	1.7
215.14259	2.0
227.12767	5.8
227.16440	4.8
229.14421	6.8
229.24370	2.1
253.14287	4.7
255.15903	5.5
259.20575	2.8
261.22076	5.6
271.20471	2.8
273.22131	6.8
275.20032	2.1
283.15375	41.4
285.17038	2.5
289.21649	3.3
297.21991	2.5
301.16299	2.3
301.21542	4.2
313.21719	2.4
315.23193	12.1
317.21237	2.2
333.24219	4.4
335.25742	21.8
343.18127	1.8
373.23666	5.8
375.24835	1.8
389.26849	2.8
391.24600	3.3
409.26965	1.7
423.32495	2.6
433.30954	7.1
447.28906	1.5
451.31940	10.2
469.33203	15.4
487.34079	7.1
507.34592	2.2
515.36823	2.2
525.35583	26.2
533.37885	2.0
543.36804	100.0
544.37512	1.9
561.37872	29.4
583.26654	1.6
758.48993	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.6
55.01860	4.8
55.05510	24.2
57.03434	11.4
57.07076	2.5
61.02921	6.2
64.83588	1.9
65.03951	4.3
67.05503	83.1
69.03440	4.9
69.07067	23.3
69.62242	4.3
69.62654	10.5
71.04993	3.6
73.02914	3.2
75.43697	1.7
79.05492	58.1
81.03429	3.4
81.06571	3.8
81.07057	61.8
83.04985	6.8
83.08624	12.4
83.36326	2.0
84.44430	1.8
85.02901	6.5
85.06576	5.2
91.03940	2.6
91.05479	42.5
93.07042	59.7
95.04975	14.3
95.08610	34.9
97.02902	6.7
97.06532	8.5
97.10165	6.6
98.21439	3.7
105.07027	40.0
107.04938	6.5
107.08596	33.2
108.44555	1.7
109.06533	6.9
109.10150	29.6
111.04434	9.7
111.08096	3.5
113.06005	3.0
113.09671	2.1
115.05483	3.4
117.07014	20.8
119.08582	29.8
121.06537	5.2
121.10139	21.2
123.08063	5.1
123.11709	6.8
124.37396	1.7
125.09637	4.4
129.07025	10.2
131.04970	1.8
131.08578	20.9
133.06461	3.4
133.10133	27.8
135.08073	8.3
135.11676	26.3
137.09607	4.9
143.08537	8.2
145.06526	3.8
145.10133	25.5
147.08052	7.3
147.11667	11.9
149.09636	10.1
149.13254	5.4
151.11224	3.6
153.09079	2.4
155.08588	4.7
157.10109	9.1
159.11615	13.5
161.09602	4.8
161.13306	5.7
163.11195	12.2
163.14804	2.1
169.10161	4.0
171.11676	9.0
173.09641	8.8
173.11812	4.3
173.13332	7.7
175.11298	3.7
175.14821	2.7
177.12752	2.7
181.10083	2.3
181.12274	2.7
183.11710	6.2
185.13266	6.9
187.11179	3.4
187.14766	2.9
189.12782	4.0
191.10715	5.1
191.14149	1.9
195.11714	2.9
197.13286	3.9
199.14778	3.3
205.15875	2.0
209.11705	14.4
209.13365	2.1
221.15297	2.4
227.12846	4.9
227.16490	5.6
229.14362	8.0
241.19518	2.5
253.14418	4.2
255.15891	9.9
257.19238	2.4
261.22137	5.9
271.15408	2.5
271.20581	2.5
273.22162	6.3
283.15375	52.7
285.16992	3.0
289.21613	2.8
297.22241	2.8
299.20178	2.5
301.21741	2.1
315.23282	8.4
317.21082	5.4
333.15259	6.8
333.24158	5.1
335.25784	16.6
345.24149	2.5
363.25403	3.8
373.23627	6.5
389.26563	3.8
391.24646	2.6
433.30963	6.6
451.31961	11.0
469.33008	13.6
471.31302	2.2
487.33972	5.7
503.37012	2.7
515.37500	2.8
519.36230	2.3
525.35791	25.5
543.36786	100.0
544.36700	2.8
561.37848	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01854	3.8
55.02105	1.6
55.05510	18.0
56.05028	13.5
57.03437	9.3
58.02954	8.7
59.05004	1.4
61.02922	11.6
65.03941	1.7
67.05499	44.7
68.05005	1.3
69.03423	5.9
69.05798	1.4
69.07057	9.6
70.06586	7.7
71.04989	3.0
71.60169	1.8
72.04512	62.2
72.08158	2.0
73.02911	4.3
74.06077	2.9
74.93554	1.3
79.05492	33.5
80.05005	3.2
81.03409	5.4
81.07053	39.9
82.06574	4.6
83.04980	3.7
83.08603	4.0
84.04504	15.7
84.08147	3.0
85.02899	12.7
85.65364	1.5
86.06050	1.7
88.03989	5.9
90.10114	1.2
91.03953	4.8
91.05472	18.0
93.07041	28.4
94.06578	2.0
95.04987	3.6
95.08604	29.1
96.04503	5.4
96.08128	3.0
97.02863	8.1
97.06525	3.5
97.10168	7.5
98.06046	3.7
100.03973	3.4
102.05540	16.4
105.07018	11.8
107.04954	3.4
107.08595	13.2
109.02903	1.6
109.06508	1.7
109.10149	19.9
110.06053	2.6
110.09686	2.7
111.08098	1.3
112.07515	1.5
114.12775	3.1
116.04759	1.2
117.07027	5.1
119.08588	12.2
121.10129	15.6
123.08087	1.5
123.11724	3.8
124.07600	1.4
124.11157	1.3
125.09631	4.7
126.09135	2.0
127.03987	2.2
131.08537	7.0
133.10120	7.5
135.11670	8.2
137.09608	1.9
137.13383	1.5
138.12750	5.7
142.12259	4.8
145.10121	5.6
147.08031	2.0
147.11665	3.8
154.12260	6.3
156.13855	4.0
157.10051	1.8
159.11711	3.1
161.13298	2.3
163.11166	6.7
164.10738	4.0
166.12303	11.4
173.09596	2.7
173.11797	2.4
174.42427	1.4
180.13792	1.3
182.11743	3.1
182.15387	10.2
183.12596	4.4
184.13322	36.3
191.10657	2.2
208.13333	13.1
210.14873	7.0
226.14383	10.8
227.12738	1.9
228.16086	1.7
229.14365	7.0
240.15884	2.3
243.21095	1.6
244.15509	1.4
256.15445	5.1
257.16446	1.6
258.16974	5.0
259.20230	1.7
261.22220	3.0
267.15765	2.7
274.16614	1.4
276.18195	2.1
277.21646	1.6
282.16910	3.4
300.15073	1.6
300.17941	9.2
302.19669	2.1
318.19043	7.1
335.25760	33.7
336.20319	2.0
336.26160	2.1
347.06992	1.5
351.24896	1.6
353.41946	1.7
489.35675	2.8
506.38516	4.5
516.36536	2.8
517.37543	2.9
534.37689	11.4
535.38434	5.7
536.39325	2.7
552.38989	6.7
560.39362	8.9
578.40533	18.3
596.41528	100.0
597.41827	4.7
714.44568	2.5
722.44031	3.2
740.45648	3.8
758.33875	2.3
758.46759	36.1
759.46307	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01867	2.3
55.05508	14.2
56.05035	12.2
57.03426	4.4
57.07045	1.2
58.02966	5.9
58.06582	1.4
61.02925	8.3
65.03940	1.3
65.35841	0.9
67.05505	32.7
68.05031	1.5
69.03430	4.0
69.05821	1.3
69.07062	8.1
70.02943	2.1
70.06592	8.7
70.20960	4.2
71.04990	2.6
72.04515	42.8
73.02907	3.7
74.06069	1.8
79.05494	25.5
80.04993	2.3
81.03417	4.9
81.07054	29.0
82.06560	2.7
83.04980	2.8
83.08617	5.2
84.04499	15.6
84.08118	2.9
85.02889	7.0
86.06078	1.3
86.35922	0.9
88.04007	7.3
91.03951	2.2
91.05480	14.1
93.07038	24.0
94.06561	1.8
95.04956	5.4
95.08604	19.8
96.04485	3.5
96.08123	2.9
97.02901	5.9
97.06541	2.6
97.10171	6.2
97.92897	1.0
98.06042	2.9
98.21478	1.2
99.08131	1.3
100.03984	4.7
102.05553	9.3
105.07031	9.1
107.04947	2.6
107.08591	13.4
109.06478	1.5
109.10155	14.0
109.13847	1.0
110.06057	1.5
110.09702	1.4
111.11660	1.1
112.07564	1.4
114.12805	3.8
117.06989	3.6
119.01892	1.2
119.08588	8.5
120.08092	0.9
121.10132	13.4
122.06038	0.9
123.08105	1.6
123.11678	1.9
124.11237	1.5
125.09620	3.8
127.03870	1.4
129.06966	1.0
131.08554	6.0
133.03445	1.6
133.10109	4.0
135.11665	4.6
136.11217	1.5
137.09576	1.8
138.10455	1.2
138.12752	4.5
142.12277	2.3
145.10120	6.0
147.11667	3.0
148.11220	1.2
152.14305	1.1
154.12241	3.0
155.01910	1.7
156.13841	3.2
159.11681	1.7
161.13257	2.2
163.11169	3.0
164.10718	1.5
165.09109	1.4
166.12274	13.7
167.10678	1.7
168.13861	1.0
173.03020	1.0
173.11749	2.4
173.13159	1.3
180.13882	1.8
182.11766	2.2
182.15395	9.3
183.12555	3.6
184.13332	42.1
191.10599	1.8
193.12299	1.5
198.15024	1.3
202.14420	1.4
208.13289	10.4
210.14972	4.5
226.14368	10.4
227.12764	1.5
229.14366	5.8
236.69217	0.9
240.15733	1.6
244.15500	3.1
245.05116	1.8
256.15439	2.4
256.19162	1.0
257.16196	1.1
258.16995	3.6
267.15985	1.6
282.16940	2.2
284.18564	2.0
300.18027	8.8
301.20044	7.0
318.19052	3.6
319.21408	1.4
331.25449	1.0
335.25790	19.0
336.20126	1.7
489.35934	1.4
506.38373	3.1
516.37671	1.1
517.37561	1.4
534.37891	5.3
535.38287	2.3
536.39349	1.4
537.28937	1.3
552.38873	4.5
560.39606	5.3
578.40259	8.5
596.41547	100.0
597.41663	3.9
686.42419	1.2
700.35992	1.2
722.45361	1.1
740.45972	2.8
758.34210	1.3
758.46796	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	14.3
55.01863	2.9
55.05513	19.8
57.03444	15.1
57.07065	4.6
65.03928	5.5
67.05503	100.0
69.03426	38.8
69.07056	17.4
69.48138	5.0
69.48538	13.4
71.04972	7.3
75.64345	2.7
79.05059	3.8
79.05495	65.7
81.03413	96.7
81.07059	80.7
83.04965	5.8
83.08609	10.3
85.02906	4.7
91.05473	36.9
93.07042	77.7
95.04985	10.4
95.08605	71.9
97.02897	20.5
97.06520	3.9
97.10155	4.3
98.21445	4.9
99.04450	13.6
102.95245	2.1
103.03939	7.9
105.07021	26.1
107.08591	36.0
109.02876	15.2
109.06512	3.2
109.10149	25.1
111.08082	4.2
117.07013	9.4
119.08582	18.6
121.09328	2.6
121.10149	31.6
123.08043	2.9
123.11723	11.3
127.03904	20.3
131.08543	16.2
133.10136	13.0
135.11694	17.6
145.10103	12.5
147.11641	12.7
149.13225	8.2
159.11681	6.6
161.13251	7.0
163.14809	4.4
171.11653	2.3
173.13248	8.7
175.14801	3.2
195.80214	2.5
201.07553	3.5
243.21104	4.1
261.22095	17.1
312.06155	2.3
319.47891	2.4
335.25787	88.9
363.25253	51.6
405.26297	2.4
500.89111	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00935	1.2
53.03939	3.2
53.14719	1.2
55.01866	5.0
55.05264	1.6
55.05512	20.7
56.30256	1.2
57.03436	11.6
57.07072	1.5
59.03229	1.1
59.04999	2.3
61.02922	8.0
64.88644	1.2
65.03938	3.9
67.05503	78.6
69.03421	4.3
69.07065	19.1
70.56541	2.1
70.56940	2.9
71.01368	2.0
71.04988	4.5
73.02905	1.8
77.03925	1.4
79.05491	60.6
81.03427	10.3
81.07057	63.7
83.04971	14.7
83.08613	14.6
85.02901	9.7
85.06539	4.6
91.05476	41.0
93.07041	62.2
94.57697	1.3
95.04970	15.7
95.08607	54.2
97.00349	1.3
97.02904	9.6
97.06527	10.2
97.10170	5.6
99.04484	2.5
99.08092	2.2
105.06377	2.2
105.07033	24.7
105.07680	2.5
107.04964	9.5
107.08593	39.6
109.02853	2.9
109.06511	4.3
109.10156	29.4
109.10905	1.3
111.04440	12.7
111.08064	5.8
113.06035	2.2
115.05477	2.0
117.07028	15.0
119.08576	25.1
121.06523	4.3
121.10139	27.0
123.08054	5.3
123.11687	6.6
125.05977	2.7
125.09611	4.6
129.06990	7.2
130.07782	2.0
131.08551	18.1
133.10129	22.9
135.08046	5.0
135.11684	24.7
137.09602	4.8
137.13202	1.3
139.11162	1.9
142.07719	1.4
143.08507	6.0
145.06540	2.6
145.10135	25.3
147.08028	5.1
147.11684	12.0
149.09624	7.2
149.13240	6.6
151.11154	6.2
153.12747	4.7
155.08582	4.7
157.10112	6.7
159.08046	1.6
159.11673	12.5
161.09607	4.8
161.13232	6.0
163.11183	18.9
163.14815	3.1
165.09145	1.8
165.12802	1.7
169.10077	3.7
171.11658	3.3
173.09665	7.9
173.11829	2.4
173.13170	7.5
175.11252	2.1
175.14928	2.4
181.10080	1.4
181.12241	6.1
183.11731	3.7
185.13287	4.2
187.11249	2.7
187.14822	4.2
189.11255	2.4
189.12790	1.5
191.10646	10.0
195.11693	1.9
197.13249	1.8
199.14842	3.4
209.11714	23.1
209.13422	1.3
227.12730	13.0
227.16321	2.4
229.14323	5.1
243.21146	4.8
253.14417	3.8
255.15941	3.3
259.20584	3.4
261.22168	11.6
267.15985	2.8
271.15341	1.9
271.20703	1.9
273.22177	5.8
279.23190	1.5
283.15393	58.2
285.17166	1.5
287.20087	1.6
289.21576	2.8
299.14990	2.6
299.20001	2.9
299.23370	1.4
300.15097	2.2
301.16476	31.5
301.21594	2.3
313.22031	2.1
315.23181	5.7
317.21185	2.5
317.24728	4.7
333.24240	4.1
335.25787	75.2
336.26022	4.0
337.26370	2.5
350.31693	1.7
373.23840	2.9
389.26871	2.1
391.24805	2.2
415.29706	2.3
423.32449	3.5
433.30969	9.8
451.32040	16.1
469.33160	13.3
487.34158	5.5
507.34674	3.0
515.37384	3.7
525.35699	19.1
543.36823	100.0
544.36829	3.9
561.37799	46.9
562.38251	1.9
685.45129	1.3
729.59308	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	3.5
53.03930	2.9
55.01865	3.9
55.05250	2.0
55.05509	18.4
57.03436	13.0
61.02911	4.6
67.05169	3.0
67.05507	45.0
69.07072	10.4
69.62330	11.4
71.04978	3.5
73.02939	1.7
79.05052	3.2
79.05492	31.6
81.03394	4.0
81.07059	44.2
83.04958	3.0
83.08629	12.3
85.02898	3.1
85.06523	2.3
88.45290	1.5
89.17661	1.5
91.04965	2.2
91.05481	28.1
93.07049	38.4
95.04957	6.5
95.08610	34.3
96.87138	1.5
96.90778	1.5
97.02888	4.4
97.06511	2.9
97.10161	5.6
99.00814	14.7
105.07037	23.2
107.04945	4.5
107.08601	23.4
109.02835	8.2
109.06546	2.9
109.10149	16.0
111.04437	1.6
111.08064	3.1
115.03919	2.2
117.07000	6.7
119.08582	13.9
121.06499	5.7
121.10141	12.4
123.08060	1.5
123.11691	6.1
127.03938	3.1
128.06210	1.8
131.08591	11.4
133.10127	36.4
135.11674	13.8
139.07552	2.2
143.08575	6.6
145.06522	2.1
145.10138	5.9
147.11678	5.0
149.13249	5.5
151.11177	8.3
159.11694	5.2
161.09633	15.1
161.13248	3.8
163.14853	3.4
171.08070	4.1
173.13292	4.0
175.14914	1.8
179.10672	12.2
189.09193	8.8
189.10661	1.9
197.11763	2.4
207.10197	4.2
221.42909	1.7
225.11241	14.2
243.12285	3.5
243.21071	6.2
261.22150	20.5
281.13892	4.1
299.14893	94.9
300.15179	2.3
315.23209	4.6
317.24741	4.0
335.25797	100.0
336.26395	3.4
449.30136	2.1
467.31494	5.9
485.32535	2.9
513.35809	3.4
541.35266	8.9
559.36316	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.1
55.01871	9.3
55.05507	9.2
56.54396	0.8
57.03445	6.9
57.07079	3.9
59.04981	1.6
61.02919	5.7
65.03908	0.9
67.05505	10.3
68.81183	0.8
68.99784	2.4
69.03429	35.2
69.07068	18.5
70.06590	3.4
71.01331	1.0
71.04997	11.1
71.08629	1.0
71.60012	1.0
72.08192	0.8
73.02914	5.5
75.66985	0.8
79.05499	9.4
81.03419	39.1
81.07053	26.7
83.01335	1.0
83.04982	3.2
83.08611	10.0
84.08141	0.9
85.02903	88.3
85.06541	40.9
86.09692	1.9
87.00827	34.4
87.04465	1.2
89.42639	0.8
91.03933	2.1
91.05470	5.8
93.07045	19.0
95.04961	2.7
95.08604	29.2
97.02273	1.7
97.02891	29.9
97.06505	4.6
97.10169	8.6
99.04448	14.2
99.08076	7.0
103.03947	1.3
105.01866	33.3
105.07038	6.9
107.04937	2.2
107.07865	1.5
107.08588	23.9
108.04462	1.8
109.02879	48.0
109.06480	1.9
109.10154	23.3
110.10505	0.8
111.04456	3.1
111.08080	3.8
111.11731	2.1
113.09638	2.3
115.03949	1.5
116.98646	1.0
117.01850	3.7
117.06973	1.6
119.04954	1.1
119.08538	4.7
121.06520	1.7
121.09303	1.4
121.10146	22.1
123.04461	2.4
123.08073	1.3
123.11703	28.6
125.02386	1.1
125.09627	3.1
125.13340	0.9
127.03912	77.9
127.11209	1.4
128.04205	1.0
129.01848	4.5
131.08557	3.6
133.10133	4.5
135.11691	14.8
137.05960	4.8
137.09622	1.2
137.13249	6.3
139.03870	1.2
139.11208	2.3
139.14767	1.9
141.12729	1.1
143.08586	1.0
145.03885	1.7
145.04959	20.0
145.10143	3.7
147.02902	3.1
147.04402	1.6
147.07961	1.0
147.11667	2.6
149.09697	1.7
149.13255	20.9
151.03937	2.2
151.07506	1.1
151.11197	0.9
151.14787	2.6
153.12740	2.6
157.10109	2.2
159.02885	16.1
159.11697	2.6
161.06041	1.6
161.09625	1.0
161.13300	2.7
163.03946	1.3
163.11107	1.3
163.14806	7.4
165.09073	0.9
165.16396	2.4
167.07036	3.0
167.14316	10.7
169.04976	2.3
169.06383	0.8
171.02812	1.1
171.11653	0.8
173.09697	0.9
173.13298	1.4
175.03940	1.8
175.14841	1.7
177.05374	1.7
177.12744	1.3
177.16402	2.7
179.14287	0.9
179.17973	4.5
181.15880	2.5
185.13324	1.1
185.15341	3.4
187.06056	2.0
187.14841	2.4
189.03932	5.5
189.16595	1.1
191.07056	1.6
192.07724	1.8
193.04991	3.9
203.17896	1.8
205.16130	1.1
205.19496	32.9
206.19920	1.1
207.06532	2.3
213.03905	12.1
223.17035	1.8
223.20569	53.1
223.85768	0.8
229.07024	1.2
231.04977	21.0
235.05980	1.0
241.21613	100.0
242.21954	1.3
247.20543	1.0
249.06099	5.4
255.04910	1.0
273.06039	13.3
303.23135	1.3
313.21649	3.3
321.24350	1.3
331.22595	1.5
339.07101	4.0
349.23862	1.5
357.08273	1.5
409.25998	1.3
417.22433	1.3
435.23633	4.8
443.08221	1.7
453.24115	1.9
461.09024	2.7
471.26099	2.4
479.10513	1.6
489.26813	2.0
618.76929	0.9
755.25250	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04647	0.5
59.75531	0.5
61.02919	1.2
67.05480	1.2
71.04984	0.7
71.60419	0.6
73.02917	0.6
79.05473	0.9
81.03438	0.7
81.07029	0.9
85.02897	0.7
90.65771	0.5
91.05472	0.5
93.07048	0.8
95.08640	1.2
99.79398	0.5
101.02411	0.8
109.10175	1.2
141.45268	0.5
163.48032	0.5
203.86195	0.5
224.14743	0.5
471.21902	2.0
519.29309	1.1
535.26660	1.0
749.42560	100.0
750.42700	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.8
55.01871	10.3
55.05506	9.9
56.96555	1.4
57.03432	6.4
61.02923	6.1
63.58105	1.1
65.03936	3.3
67.05505	28.2
68.99783	4.5
69.03072	1.9
69.03430	36.5
69.07061	9.3
70.06591	7.2
71.04990	6.0
71.59297	1.4
72.08163	1.9
73.02909	8.8
77.03906	1.3
79.05055	1.7
79.05493	20.7
81.03418	41.7
81.07058	66.0
83.04956	1.6
83.08611	3.5
84.04494	1.5
84.08150	1.8
85.02908	81.1
86.09721	2.4
87.00827	29.6
87.04477	1.7
91.03936	1.3
91.05482	27.8
93.07045	52.9
95.04961	6.8
95.08611	70.3
97.02888	34.2
97.06505	1.2
97.10152	1.2
99.04454	17.2
103.03954	1.1
103.05484	1.7
105.01870	31.4
105.04501	1.0
105.07033	67.9
107.08597	82.2
108.04504	1.6
108.08916	1.5
109.02882	42.8
109.06521	4.2
109.10157	55.8
110.10538	1.0
111.04469	1.5
111.11684	1.6
115.03947	2.2
115.05399	1.5
115.25641	0.9
116.98616	1.0
117.01835	5.2
117.07031	3.3
119.06065	1.1
119.08579	49.2
120.08098	1.8
120.45728	0.9
121.06521	1.4
121.10146	21.2
123.11705	11.8
127.03918	67.8
129.01845	4.5
131.08575	3.5
133.10133	29.9
135.11693	20.3
136.07536	1.0
137.05983	1.7
143.08580	1.9
145.04961	21.8
145.10107	5.3
147.02910	2.8
147.11690	54.8
149.13293	3.8
157.10168	1.4
159.02881	19.0
159.11659	4.8
161.13252	15.5
163.14832	7.9
165.12700	1.6
167.07019	2.4
169.10098	1.1
175.14850	8.1
177.04070	1.6
177.05516	2.0
181.04938	1.3
189.03932	1.7
193.04973	1.1
197.13417	1.0
201.16370	4.2
203.17958	100.0
205.19469	1.6
213.04019	6.9
213.16371	1.6
215.17885	1.1
221.18990	3.5
231.05002	17.3
249.06073	3.2
268.90570	0.9
273.06064	3.8
357.07898	1.0
433.22308	1.4
440.30103	1.1
449.03006	1.1
461.09167	1.6
486.27347	2.5
653.95978	1.1
771.26819	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.6
57.07075	25.5
57.59785	0.6
59.04984	0.8
67.05508	0.6
67.64138	0.6
67.92740	0.7
69.07055	1.2
71.08630	23.5
72.62868	0.6
73.02908	1.7
73.06558	9.8
76.26690	0.6
79.34393	0.7
83.08614	3.1
85.10181	24.3
86.56648	0.5
87.04470	11.0
89.06030	100.0
91.07606	0.8
93.07029	0.7
93.47525	0.7
97.10194	0.8
99.11731	2.0
107.07070	4.5
113.06016	0.7
117.09128	9.9
130.08618	3.8
131.07034	4.4
133.08601	54.1
135.10143	0.9
141.16379	5.6
161.11716	3.2
175.09668	2.4
177.11229	20.0
185.19040	7.0
189.87405	0.6
221.00063	0.7
221.13869	2.8
223.15468	0.8
226.21744	0.9
229.21597	7.7
239.14911	1.1
273.24191	4.2
283.17618	1.7
327.20044	1.0
353.21649	0.7
370.68707	0.7
371.22549	0.7
400.54776	0.6
426.38904	0.7
449.78867	0.7
712.79071	0.8
731.51056	1.6
748.42633	1.8
748.54529	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01859	3.4
55.26579	0.7
56.05009	0.7
58.40465	0.8
65.03934	5.6
67.05483	2.7
69.03409	3.0
69.07059	0.9
70.06590	10.0
70.26617	3.4
71.04982	1.3
72.08132	1.3
73.02886	0.8
75.04466	2.1
78.04696	2.8
79.05488	7.1
81.03413	4.6
81.07036	2.5
82.04175	1.6
84.04515	1.5
84.08138	1.0
85.02910	6.6
85.06505	0.8
86.09699	3.6
89.03878	0.8
91.05479	11.6
93.03419	6.7
93.07050	4.3
95.04964	7.7
95.08569	1.7
97.02869	1.7
97.06509	3.1
103.05459	22.0
105.01835	1.2
105.03369	2.1
105.07030	9.9
106.04176	12.4
107.04967	11.7
107.08562	1.6
109.02854	2.0
109.06501	2.3
109.10173	0.9
110.03649	2.5
111.04437	1.8
115.05449	5.8
117.03383	1.0
117.07015	5.1
118.04176	4.9
119.04932	2.6
119.08569	2.2
120.08089	2.0
121.06512	16.8
121.10124	1.2
123.04409	5.7
124.05219	3.0
125.05983	7.6
127.03889	1.1
129.07027	1.7
129.10239	1.1
130.04124	1.8
131.04913	20.7
131.08519	1.4
132.05702	1.7
133.02850	2.5
133.06483	10.4
133.10110	1.1
134.03604	1.6
135.04395	2.0
135.08063	2.2
136.05273	0.9
137.05968	7.3
138.03082	1.3
139.03828	1.0
139.07507	2.9
141.06918	0.9
142.02643	1.7
143.04942	1.4
144.05669	1.9
145.02831	2.2
145.06485	6.0
145.10197	0.9
146.03610	2.1
146.07199	0.9
147.04417	2.2
147.08026	2.3
147.11702	1.4
148.05197	13.7
149.05978	25.8
151.02145	1.0
151.03891	3.6
151.07494	3.4
153.05437	4.1
153.09105	7.0
155.08249	0.9
157.06386	1.4
159.04376	2.0
159.08002	1.7
160.05151	1.5
161.05984	11.4
162.01364	2.0
163.03928	3.7
163.07539	24.2
165.05466	1.8
166.06229	1.6
167.07036	65.5
168.07358	0.9
169.06334	0.9
171.06572	3.9
171.07852	0.8
173.05995	7.1
174.06746	1.3
175.03903	1.4
175.07521	4.7
176.04701	3.0
177.05470	21.4
177.09090	2.5
179.01752	1.3
179.07007	2.8
181.04955	81.7
181.08525	15.4
182.05379	2.0
185.05901	1.0
187.07489	5.0
189.05319	1.1
190.00880	2.0
190.06160	1.6
191.07019	100.0
192.07445	2.8
193.04889	2.0
193.08611	4.1
195.06528	4.6
201.05437	2.6
203.07014	3.5
205.06830	1.4
205.08528	4.7
207.06468	2.8
207.10274	1.5
208.01947	1.1
209.08080	93.2
210.08426	2.5
217.08563	2.9
219.08072	1.7
219.10034	7.1
221.07982	1.2
223.04216	20.0
225.07523	1.6
231.06581	1.0
233.08054	6.6
235.07495	2.1
235.09666	6.2
245.08083	3.1
246.64450	0.9
263.06772	1.3
263.09164	26.0
265.08688	1.2
267.10181	3.6
280.07507	1.1
281.07947	1.1
285.22131	1.0
295.09564	1.0
297.11102	3.0
307.09744	1.6
312.09036	2.6
324.09866	1.0
325.10532	4.4
331.12015	1.1
337.10538	1.3
339.11899	1.8
353.10431	0.9
357.13290	7.6
359.14731	1.1
367.11771	3.4
369.13214	1.3
385.12790	13.3
387.14325	2.5
389.15915	1.4
399.14331	3.0
417.15347	16.7
517.18585	1.0
530.01501	0.9
536.62744	1.0
680.70032	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01859	3.4
55.26579	0.7
56.05009	0.7
58.40465	0.8
65.03934	5.6
67.05483	2.7
69.03409	3.0
69.07059	0.9
70.06590	10.0
70.26617	3.4
71.04982	1.3
72.08132	1.3
73.02886	0.8
75.04466	2.1
78.04696	2.8
79.05488	7.1
81.03413	4.6
81.07036	2.5
82.04175	1.6
84.04515	1.5
84.08138	1.0
85.02910	6.6
85.06505	0.8
86.09699	3.6
89.03878	0.8
91.05479	11.6
93.03419	6.7
93.07050	4.3
95.04964	7.7
95.08569	1.7
97.02869	1.7
97.06509	3.1
103.05459	22.0
105.01835	1.2
105.03369	2.1
105.07030	9.9
106.04176	12.4
107.04967	11.7
107.08562	1.6
109.02854	2.0
109.06501	2.3
109.10173	0.9
110.03649	2.5
111.04437	1.8
115.05449	5.8
117.03383	1.0
117.07015	5.1
118.04176	4.9
119.04932	2.6
119.08569	2.2
120.08089	2.0
121.06512	16.8
121.10124	1.2
123.04409	5.7
124.05219	3.0
125.05983	7.6
127.03889	1.1
129.07027	1.7
129.10239	1.1
130.04124	1.8
131.04913	20.7
131.08519	1.4
132.05702	1.7
133.02850	2.5
133.06483	10.4
133.10110	1.1
134.03604	1.6
135.04395	2.0
135.08063	2.2
136.05273	0.9
137.05968	7.3
138.03082	1.3
139.03828	1.0
139.07507	2.9
141.06918	0.9
142.02643	1.7
143.04942	1.4
144.05669	1.9
145.02831	2.2
145.06485	6.0
145.10197	0.9
146.03610	2.1
146.07199	0.9
147.04417	2.2
147.08026	2.3
147.11702	1.4
148.05197	13.7
149.05978	25.8
151.02145	1.0
151.03891	3.6
151.07494	3.4
153.05437	4.1
153.09105	7.0
155.08249	0.9
157.06386	1.4
159.04376	2.0
159.08002	1.7
160.05151	1.5
161.05984	11.4
162.01364	2.0
163.03928	3.7
163.07539	24.2
165.05466	1.8
166.06229	1.6
167.07036	65.5
168.07358	0.9
169.06334	0.9
171.06572	3.9
171.07852	0.8
173.05995	7.1
174.06746	1.3
175.03903	1.4
175.07521	4.7
176.04701	3.0
177.05470	21.4
177.09090	2.5
179.01752	1.3
179.07007	2.8
181.04955	81.7
181.08525	15.4
182.05379	2.0
185.05901	1.0
187.07489	5.0
189.05319	1.1
190.00880	2.0
190.06160	1.6
191.07019	100.0
192.07445	2.8
193.04889	2.0
193.08611	4.1
195.06528	4.6
201.05437	2.6
203.07014	3.5
205.06830	1.4
205.08528	4.7
207.06468	2.8
207.10274	1.5
208.01947	1.1
209.08080	93.2
210.08426	2.5
217.08563	2.9
219.08072	1.7
219.10034	7.1
221.07982	1.2
223.04216	20.0
225.07523	1.6
231.06581	1.0
233.08054	6.6
235.07495	2.1
235.09666	6.2
245.08083	3.1
246.64450	0.9
263.06772	1.3
263.09164	26.0
265.08688	1.2
267.10181	3.6
280.07507	1.1
281.07947	1.1
285.22131	1.0
295.09564	1.0
297.11102	3.0
307.09744	1.6
312.09036	2.6
324.09866	1.0
325.10532	4.4
331.12015	1.1
337.10538	1.3
339.11899	1.8
353.10431	0.9
357.13290	7.6
359.14731	1.1
367.11771	3.4
369.13214	1.3
385.12790	13.3
387.14325	2.5
389.15915	1.4
399.14331	3.0
417.15347	16.7
517.18585	1.0
530.01501	0.9
536.62744	1.0
680.70032	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	2.4
57.07074	53.2
58.22017	0.8
67.05498	5.4
68.05821	0.9
69.03463	1.0
69.07068	10.2
69.26063	8.0
69.26486	2.7
71.08632	49.6
73.02936	1.6
73.06556	8.9
79.05492	3.2
80.17519	0.9
81.07050	7.0
83.08616	3.0
85.10184	29.7
87.04462	14.7
89.06030	100.0
89.46965	1.0
91.05470	1.0
93.07054	2.5
95.08611	1.9
97.10182	3.5
99.11728	5.9
107.07069	5.5
107.08558	1.4
111.11713	3.5
113.13315	5.0
117.09138	11.8
117.99718	0.9
119.08588	1.2
121.10165	1.5
125.13250	1.7
127.14847	3.7
130.08643	3.4
131.07031	3.8
131.08574	1.0
133.08600	71.2
137.74789	1.0
151.09775	1.1
161.11739	2.3
175.09671	4.0
177.11224	27.9
177.66306	0.9
179.12920	1.0
183.20978	1.1
183.35342	0.8
193.10739	1.1
195.49854	1.0
219.12189	1.1
221.13838	5.5
223.15427	1.6
242.59171	1.1
271.26263	3.0
283.17456	2.2
309.19186	1.4
315.28958	3.9
327.19907	1.8
505.37616	2.5
729.53247	4.4
746.55566	4.2
747.42767	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	746.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60970	1.2
55.05510	2.3
57.07071	34.9
59.76358	1.3
67.05495	1.9
69.07051	4.1
71.08623	31.7
71.34158	1.7
71.34499	2.5
71.51466	1.2
73.02903	1.2
73.06557	11.0
83.08613	3.0
85.10175	18.2
87.04464	12.0
87.86121	1.4
89.06026	100.0
97.10150	5.0
99.11724	2.4
99.41972	1.2
107.07056	4.8
111.11736	2.3
113.13292	2.3
117.09129	7.0
122.39970	1.4
123.91090	1.2
127.14823	1.5
130.08646	3.7
131.07043	3.7
133.08595	49.9
137.01067	1.5
161.11726	2.2
171.08421	1.6
175.09674	2.5
177.11194	20.5
183.21072	2.8
193.21979	1.4
221.13803	2.9
227.23795	1.6
231.20425	1.5
271.26291	6.7
283.17441	2.2
315.28967	4.7
437.97363	1.3
547.33331	1.8
746.38373	1.7
746.56305	2.9
747.41852	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	745.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
54.30961	0.5
55.05505	1.2
57.03431	1.4
57.26988	0.4
61.02922	3.0
67.05502	5.3
69.03427	2.8
69.07064	0.9
71.01373	0.7
71.04990	0.6
71.60249	0.5
73.02906	2.4
74.52132	0.5
79.05482	4.1
81.03420	1.2
81.07054	4.4
83.08627	1.1
85.02898	3.2
91.03962	2.1
91.05469	2.4
93.07053	4.9
95.04973	0.7
95.08602	4.5
97.02905	3.0
97.06539	0.7
99.04440	0.6
101.02380	1.5
102.68863	0.4
105.07025	0.9
107.04964	1.0
107.07976	0.5
107.08588	2.9
109.02857	0.8
109.10170	1.5
117.07019	0.8
119.08593	1.2
121.10149	1.4
127.03901	1.0
131.08586	0.9
135.11668	3.6
145.10127	2.0
163.11189	3.5
181.12233	0.6
190.39496	0.4
195.36882	0.5
219.09918	0.5
227.12788	2.9
243.08398	2.1
249.10959	8.4
250.12181	0.5
302.72488	0.5
305.13730	1.6
335.25809	0.5
347.08899	0.5
369.86179	0.5
458.91309	0.5
467.18854	10.0
519.29279	4.3
520.68945	0.5
583.36475	0.5
745.41272	100.0
746.41626	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	744.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.05511	16.3
57.03433	12.4
61.02926	2.7
63.30328	1.4
65.03950	1.9
67.05501	75.7
68.05832	1.6
69.03421	2.1
69.07059	18.7
71.04987	8.2
71.60786	2.4
79.05488	40.5
81.03429	2.0
81.07051	100.0
83.04975	6.1
83.08609	11.0
85.02899	3.2
85.06535	9.0
91.05461	24.2
92.81366	1.8
93.06463	3.4
93.07037	52.8
95.04964	5.0
95.08595	38.1
97.02876	2.8
97.06490	8.0
97.10169	3.4
105.07026	15.1
107.08591	26.5
109.06519	2.9
109.10150	14.0
111.08105	4.1
117.07027	11.5
119.08581	6.9
121.10129	18.2
123.11675	11.0
131.08553	10.6
133.10138	15.3
135.08069	2.1
135.11673	12.3
145.10123	3.8
147.11661	4.4
149.13251	13.9
151.11180	4.7
159.11681	12.5
161.13268	4.5
163.14948	1.5
173.13235	2.7
177.12767	5.0
184.07317	2.7
187.13351	6.3
187.14890	1.9
195.13812	6.1
213.14792	2.1
243.15903	21.8
261.22086	7.1
269.17456	28.7
269.20114	2.0
270.17755	2.1
287.18515	22.7
303.26486	1.6
317.24637	2.2
331.31885	1.7
335.25760	51.1
503.37311	90.4
504.37369	5.5
527.39178	2.0
529.39105	8.9
547.39789	37.0
548.39911	2.3
582.41565	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	745.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
54.45162	0.3
55.01863	0.5
55.05505	1.6
57.03428	1.6
58.78835	0.3
61.02924	5.5
67.05501	5.6
69.03423	3.0
69.07056	1.0
69.34663	2.8
71.01321	0.3
71.04991	0.7
71.05378	0.3
73.02917	3.7
79.05492	4.2
81.03420	1.7
81.07051	5.4
83.04978	0.4
83.08600	0.6
85.02901	5.4
87.04473	0.6
91.03947	2.8
91.05476	2.2
93.07035	5.1
95.04969	0.6
95.08598	4.3
95.09156	0.4
97.02885	5.3
97.06482	0.4
99.04449	0.8
101.02395	1.3
105.07034	1.5
107.08582	2.5
109.02885	0.7
109.10145	1.5
115.03900	0.3
117.06989	0.8
119.08592	1.1
121.10124	1.7
123.11677	0.5
127.03918	1.5
131.08568	0.6
133.10126	0.8
135.11668	2.6
141.62529	0.3
145.10107	1.7
147.11598	0.4
163.11168	2.2
181.12256	0.5
185.04300	0.5
200.41647	0.3
203.05331	0.4
210.06395	0.4
210.97578	0.3
219.09938	0.4
227.12746	1.3
243.08371	2.3
249.10992	12.0
305.13516	1.3
335.25934	0.8
467.18857	5.1
504.38312	0.3
519.29266	9.2
520.30359	0.3
583.36310	0.5
651.69720	0.3
745.41272	100.0
746.41608	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	744.489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.05517	15.4
57.03437	9.7
57.07076	2.9
61.02923	3.6
62.31250	1.9
65.03932	2.8
67.05504	65.8
69.07067	14.8
69.33040	22.0
71.04977	4.8
79.05488	38.6
81.03399	4.4
81.07056	93.3
83.04988	5.2
83.08594	9.9
85.02924	1.9
85.06519	7.0
86.09726	2.0
91.05483	23.4
93.07050	47.4
95.04971	4.9
95.08607	34.5
97.06523	7.6
97.10114	2.7
98.20725	4.4
99.08104	2.1
105.07034	14.4
107.08591	23.6
109.10165	15.6
111.08055	3.4
117.07001	9.6
119.08587	9.6
121.10139	13.2
123.11696	8.7
131.08568	14.0
133.10144	12.9
135.11694	11.4
144.32587	2.1
145.10094	3.6
147.11731	4.9
149.13284	11.8
151.11252	4.2
159.11702	9.4
159.78912	2.1
161.13321	2.3
173.13188	2.5
177.12825	2.6
184.07362	6.8
184.26796	2.1
187.13239	4.5
195.13799	5.6
213.14886	2.8
230.15451	3.3
243.15938	24.7
261.22095	7.4
269.17496	34.8
287.18484	25.4
335.25803	60.5
336.26160	2.6
503.37289	100.0
504.37665	3.3
521.37756	2.2
529.39154	9.8
530.53906	2.6
547.39941	39.3
582.41071	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85092	2.3
53.03938	3.9
55.01869	2.3
55.05513	12.8
57.03428	9.7
57.07071	3.7
59.53532	2.1
67.05502	36.2
69.03439	3.8
69.07070	12.4
71.04976	4.5
74.07034	2.0
74.19016	2.5
79.05492	24.7
81.03419	34.6
81.07059	37.9
83.04960	7.0
83.08614	14.3
84.31931	2.0
85.02892	11.8
91.05472	21.2
93.07042	33.2
95.04964	12.8
95.08607	25.6
97.02880	3.2
97.06533	2.3
97.10140	2.5
98.21505	5.0
105.07017	13.1
107.04985	5.3
107.08591	16.6
109.06525	2.6
109.10158	7.8
111.08108	5.1
117.07045	2.9
119.08598	15.3
121.10133	11.8
122.00083	2.5
123.11728	2.9
129.07005	6.1
131.08542	5.3
133.06436	2.9
133.10124	7.6
135.11682	8.3
145.10066	4.9
147.11696	10.1
149.09619	3.0
149.13336	3.6
157.10136	8.1
159.11736	2.8
163.11166	2.2
170.99158	2.1
175.11176	7.6
193.12234	23.1
211.13257	27.9
227.12833	4.3
228.13226	3.6
230.41449	2.4
261.22147	5.4
267.15759	5.4
285.17004	35.7
317.24619	2.5
335.25800	58.5
336.26074	3.8
337.26755	3.5
527.37146	6.2
545.38342	100.0
636.91174	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	742.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02789	1.1
53.03944	4.4
55.01873	2.1
55.05504	18.9
56.05028	6.5
57.03434	13.1
57.07054	2.2
58.06601	1.6
61.02927	8.7
65.03931	2.9
65.81484	1.2
67.05500	49.3
68.05016	4.5
69.03419	6.2
69.07073	13.4
69.37942	5.0
69.38383	6.2
70.02936	3.0
70.06595	10.7
71.01289	1.2
71.04978	4.3
71.05958	1.2
71.08656	1.2
72.04504	9.3
73.02912	3.2
79.05490	36.9
79.36318	1.1
80.05013	8.0
81.03045	1.5
81.03410	48.9
81.07051	54.3
82.06570	4.2
83.04957	7.1
83.08615	16.8
84.04506	2.0
85.02897	9.3
85.06532	2.0
87.04386	1.3
91.03952	5.4
91.05473	28.1
93.07039	39.8
94.06563	1.5
95.04959	16.1
95.08601	39.3
96.04478	4.4
96.08128	2.2
97.02889	8.1
97.06535	4.8
97.10165	4.2
98.06050	3.9
98.20750	1.8
105.07024	19.7
107.04966	3.5
107.08582	19.1
108.08113	1.2
109.06516	4.0
109.10147	17.0
111.08062	5.8
115.05471	1.5
117.07001	6.1
119.08572	17.2
121.06477	1.7
121.10133	22.0
123.11725	5.9
125.09597	2.0
127.03893	2.7
129.07002	7.7
131.08553	14.8
133.06490	1.7
133.10114	10.6
135.11671	9.9
137.09575	2.6
138.12749	6.9
143.08604	1.4
144.06529	2.3
145.10133	6.0
147.08084	2.2
147.11673	10.6
148.11182	5.1
149.09599	9.3
149.13235	4.4
154.15828	2.1
157.10165	9.5
159.11682	4.5
160.37907	1.2
161.13252	3.1
162.07594	1.7
163.11166	1.7
163.14809	1.8
164.14403	2.6
165.12785	1.6
166.12268	17.2
167.10574	1.9
173.13289	3.2
175.11188	6.1
175.14832	1.8
180.08685	2.5
182.15390	34.3
184.13321	16.1
187.14867	2.7
192.13837	6.7
193.12231	20.5
210.14877	75.2
211.13332	1.6
227.12866	1.5
228.15964	3.7
240.15962	2.6
243.21051	5.1
249.14870	2.2
258.16910	6.4
261.22119	19.0
267.15897	100.0
268.16077	1.6
284.18454	14.1
301.25229	1.9
302.19620	8.5
317.24606	2.6
335.25778	97.9
435.32455	2.7
453.33521	4.3
471.34937	1.5
493.61203	1.2
518.38330	7.5
527.37311	40.9
536.39600	15.8
544.39709	10.6
545.38354	18.1
562.41003	66.6
563.41180	1.6
604.42157	1.5
644.39099	1.5
706.45789	2.5
724.46375	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	742.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01871	3.4
55.05510	22.6
56.05022	6.5
57.03441	12.0
57.07053	2.6
61.02923	13.1
65.03915	2.0
67.05505	52.4
68.05010	5.1
69.03408	6.3
69.07059	14.0
70.02951	4.0
70.06590	13.9
71.04983	4.6
71.19270	3.0
72.04510	9.2
73.02910	3.8
79.05494	41.4
80.05020	8.8
81.03415	42.5
81.07056	53.3
82.06570	3.5
83.04965	7.5
83.08630	11.5
84.04505	4.0
85.02901	10.6
91.03948	3.7
91.05478	28.0
93.06469	2.7
93.07047	49.9
94.06549	1.9
95.04967	16.2
95.08600	37.3
95.65527	1.6
96.04466	4.4
96.05469	1.5
96.08115	2.6
97.02912	9.8
97.06505	4.5
97.10147	3.9
98.06045	4.7
99.04492	1.7
105.07022	20.3
107.04951	3.5
107.08585	23.7
109.06513	3.2
109.10152	14.3
110.06049	1.7
111.08068	4.8
117.06979	4.6
119.08573	16.5
121.09313	2.1
121.10139	25.0
123.08050	1.8
123.11695	6.3
127.03921	1.8
129.06999	8.6
131.08575	14.9
133.10107	11.3
134.35266	1.8
135.11694	10.0
137.13237	2.0
138.12762	7.8
144.06573	3.0
145.10106	6.8
147.11665	9.5
148.11206	6.2
149.09613	9.0
149.13228	6.6
150.12852	2.0
154.15805	2.2
157.10110	8.4
159.11673	4.5
161.13252	3.4
162.07614	1.8
164.14285	3.0
166.12311	17.3
167.10612	2.3
173.13264	4.7
175.11176	7.9
180.08662	2.2
182.15404	41.9
184.13315	22.0
185.13232	1.7
192.13869	4.9
193.12209	17.3
210.14882	87.0
211.13220	1.8
222.14807	2.4
228.15923	5.0
240.15926	3.8
243.21085	5.5
249.14928	4.0
258.17020	6.3
261.22147	21.4
262.92365	1.7
267.15900	93.1
284.18552	15.9
302.19641	13.9
317.24719	2.7
335.25787	100.0
435.32605	2.2
453.33569	2.9
518.38525	12.3
527.37262	43.1
536.39404	27.8
544.39886	17.8
545.38269	17.8
562.41040	76.2
644.41052	2.6
646.43097	2.8
680.43164	3.3
706.44495	4.0
724.46118	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	740.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	1.7
53.04126	0.4
55.01828	2.1
55.05511	13.5
55.05753	0.8
57.00370	0.4
57.03440	8.4
57.07033	1.7
61.02894	0.9
65.03899	1.8
66.42798	0.4
67.05502	41.7
67.05845	1.4
67.06022	1.3
69.03388	1.7
69.07066	10.6
71.04993	2.9
71.60429	0.7
73.02860	1.0
77.03877	0.6
79.05492	34.5
79.05946	1.2
81.03364	1.8
81.07056	41.3
83.04987	3.4
83.08615	8.6
85.02850	1.2
85.06481	1.3
91.03944	0.5
91.05480	14.6
93.07042	49.2
95.04969	7.7
95.08604	47.6
96.08903	0.5
97.02905	3.2
97.06525	3.8
97.10120	1.9
99.04441	3.2
99.08071	0.4
103.05440	1.0
105.04488	0.7
105.07025	10.5
107.04957	6.1
107.08591	27.9
109.06515	2.5
109.10151	10.5
111.04415	1.5
111.08035	1.3
113.05950	0.4
117.07014	7.9
119.08583	10.7
121.06491	4.7
121.10141	15.7
123.08032	0.7
123.11703	3.0
125.05952	1.8
130.07719	1.6
131.08574	4.0
133.10123	5.9
135.08093	1.9
135.11691	37.1
137.09572	0.8
137.13266	0.6
139.07535	1.0
143.08459	0.6
145.06453	0.5
145.10120	24.2
147.11681	3.1
149.13310	2.8
151.11118	0.5
153.12718	0.7
159.11740	2.4
161.13290	2.5
163.11177	41.2
163.14786	1.9
164.11473	0.5
168.99074	0.4
173.09608	0.7
173.13229	1.6
175.14777	0.6
181.12212	6.5
187.14827	1.2
209.11734	0.9
223.71898	0.5
227.12775	51.6
228.13139	0.9
243.21036	1.6
261.22153	5.7
283.15390	47.5
284.15833	1.0
317.24771	1.8
335.25784	100.0
336.26202	2.5
351.02319	0.5
503.37375	1.0
543.36816	74.5
544.37268	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	740.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13651	0.6
53.03926	3.0
55.01850	2.8
55.05509	14.7
57.03184	0.8
57.03433	8.5
57.07045	2.2
58.61380	0.6
61.02908	1.3
65.03918	2.3
67.05503	44.7
69.03410	1.9
69.06725	0.9
69.07064	12.1
69.34193	4.5
69.34620	2.4
71.05001	4.1
73.02907	1.5
77.03906	0.7
78.46039	0.7
79.05492	41.2
81.03397	2.3
81.07053	49.4
83.04990	4.4
83.08615	10.7
85.02861	1.2
85.06503	1.9
91.05477	16.4
93.07041	58.3
95.04968	9.5
95.08604	59.6
97.02909	4.3
97.06535	4.4
97.10133	1.7
99.04446	5.1
103.05490	0.8
105.07025	12.6
107.04948	9.9
107.08589	39.6
109.06515	2.8
109.10148	12.2
111.04431	2.5
111.08080	1.6
117.07011	11.8
119.08585	15.5
121.06507	7.3
121.10138	23.6
121.11018	1.4
123.08067	0.7
123.11689	2.3
125.05984	4.1
128.23372	0.7
130.07762	2.0
131.08554	5.0
132.74771	0.7
133.10129	6.9
135.08040	1.4
135.11691	56.6
136.12035	0.9
137.09616	0.8
137.13260	0.9
139.07518	2.5
140.94463	0.7
143.08540	1.0
145.10121	31.8
147.11665	2.0
149.13216	3.0
153.12666	1.0
159.11684	2.4
161.13249	2.1
163.11179	63.5
163.14819	2.0
164.11482	0.8
173.09689	0.8
173.13277	1.8
175.14735	0.7
181.12231	10.5
201.16328	1.0
206.56557	0.7
209.11829	1.6
212.65405	0.6
227.12776	81.7
228.13084	1.0
234.78075	0.7
243.21002	2.7
256.94623	0.7
261.22165	7.6
283.15384	100.0
284.15784	1.5
317.24680	2.5
335.25784	95.5
336.25970	2.4
411.95972	0.8
502.84326	0.8
543.36804	87.9
544.37225	4.3
720.97839	0.7
746.63477	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
55.05500	1.9
57.03438	1.4
61.02925	3.9
63.31675	0.7
67.05497	4.4
69.03410	2.2
69.07067	1.4
71.60563	0.7
73.02552	0.6
73.02897	3.6
79.05468	1.3
81.03418	1.5
81.07056	6.6
83.04955	0.5
83.08636	0.9
85.02901	5.4
91.03961	3.7
91.05492	1.1
93.07040	2.5
95.08589	5.8
97.02881	4.7
97.06557	0.8
97.10161	0.9
99.04449	1.1
101.02387	1.6
105.07036	1.5
107.08581	1.6
109.02860	0.7
109.10170	1.8
119.08578	1.2
127.03911	1.6
161.13226	1.1
180.01643	0.6
243.08525	0.8
420.03165	0.7
455.22574	3.4
521.30841	6.5
630.26270	0.7
735.46484	100.0
736.46521	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.7
58.18644	0.4
67.05496	2.0
69.07053	0.7
79.05495	1.2
81.03467	0.5
81.07057	1.1
91.05485	1.1
93.07051	1.2
95.08616	1.1
95.75120	0.4
98.21541	0.7
103.73551	0.4
105.07053	0.8
117.07070	0.7
131.08589	0.8
143.08546	0.7
145.10144	0.6
155.08607	0.5
227.58800	0.5
312.46210	0.5
335.25809	1.0
349.22046	0.6
367.22714	1.3
369.04163	0.5
385.23859	0.7
603.08704	0.5
719.47949	1.1
737.48029	100.0
738.48138	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	739.4597
Annotation	Antanapeptin B
Peak:m/z	Relative Intensity
54.06373	0.3
70.66543	0.4
70.66865	0.6
74.11381	0.3
76.48385	0.3
79.05496	0.3
81.07050	0.5
89.80507	0.3
91.05457	0.4
91.21031	0.3
119.08610	0.3
181.90233	0.3
185.06245	0.3
274.93735	0.3
539.95477	0.5
739.45947	100.0
740.46063	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	735.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.4
57.03434	2.6
57.51511	1.1
61.02927	4.3
67.05503	5.2
69.03429	2.3
69.07067	2.0
71.60732	1.8
73.02927	4.2
79.05485	2.3
81.03406	1.7
81.07050	7.1
83.08603	1.5
85.02911	6.9
91.03963	2.6
91.05498	2.5
93.07058	2.1
95.08603	8.0
97.02904	4.8
101.02388	3.6
105.07054	2.5
107.08656	1.6
109.02919	1.4
109.10151	1.7
119.08619	1.7
121.10133	1.3
127.03992	1.2
161.13245	1.5
178.04715	1.1
194.47176	1.1
243.08510	2.5
366.78903	1.1
394.61618	1.3
455.22473	9.9
496.38321	1.1
521.30853	3.3
735.46527	100.0
736.46002	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	731.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.0
54.27525	0.6
55.05490	1.4
57.03435	2.1
61.02927	6.1
67.05502	7.8
69.03425	4.2
69.07057	1.7
69.36463	6.3
71.01321	1.0
73.02908	5.5
79.05485	4.4
81.03419	1.9
81.07050	6.2
83.08605	0.8
85.02903	4.8
91.03935	3.3
91.05495	2.2
93.07040	5.1
95.04979	1.0
95.08598	3.5
97.02879	6.0
97.06503	0.8
99.04488	1.2
101.02388	2.0
105.07055	1.2
107.08601	2.6
107.93595	0.7
109.10161	1.3
119.08558	1.2
121.10154	2.8
127.03945	1.1
131.08623	1.0
133.10118	0.9
135.11711	0.9
143.31171	0.7
149.13303	1.1
159.11693	1.0
203.05267	0.7
215.74861	0.6
235.13243	1.2
243.08508	2.0
453.20999	4.7
519.29272	7.2
731.43384	100.0
732.43988	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87157	0.5
55.05519	2.9
57.07076	34.1
58.65140	0.6
59.05004	0.6
67.05489	1.6
69.07063	3.1
69.42727	3.5
69.43141	1.4
71.08632	28.3
73.02888	0.7
73.06558	10.7
79.05482	1.0
81.03416	1.0
81.07053	1.3
83.08617	2.0
85.10181	17.2
87.04469	10.4
89.06030	100.0
90.06377	0.6
91.05495	1.3
91.07567	0.9
93.07053	1.1
95.08620	1.4
97.10173	4.3
98.21520	0.6
99.11745	4.7
103.25034	0.5
105.07086	0.8
107.07065	5.7
111.11727	2.4
113.13278	2.4
117.07020	0.5
117.09126	9.9
119.08512	0.6
125.13220	0.5
127.14852	0.6
130.08633	3.7
131.07051	3.0
131.08588	0.5
133.08603	50.6
145.10110	0.7
161.11760	2.6
169.19556	2.8
175.09688	1.9
177.11223	22.3
190.00285	0.5
194.90154	0.6
213.22067	2.7
221.13840	4.3
239.14934	1.6
257.24774	7.7
267.18195	0.6
283.17621	1.7
301.27319	4.9
353.21509	0.7
542.05927	0.6
626.73761	0.5
715.51862	2.1
732.54517	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.38
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03460	0.3
56.96291	0.4
56.96560	6.6
58.11208	0.3
58.84668	0.3
70.06584	0.4
71.08616	1.2
71.58453	0.4
74.02441	0.4
74.97588	0.3
81.03442	0.2
82.02932	0.3
83.97609	0.7
86.09725	0.5
88.11257	1.7
88.34316	0.3
97.99139	0.7
98.97559	0.9
109.99157	17.8
110.97550	0.4
112.00694	0.3
115.00697	0.5
116.00182	0.6
116.98619	0.7
122.27900	0.3
124.11224	0.3
128.00197	42.6
128.98581	1.5
130.01711	0.4
133.01688	0.3
134.99681	0.6
140.00157	0.5
142.01665	0.4
143.00160	0.7
146.01239	22.7
146.04456	0.9
146.99655	1.4
148.01715	0.3
148.02756	0.5
151.01755	0.9
156.98010	0.4
157.02866	1.6
158.01285	2.1
161.01227	0.8
164.02307	1.1
169.02899	0.6
169.13365	2.7
172.06505	0.6
174.99095	0.3
175.03954	1.4
176.02299	0.6
180.06850	0.4
185.02449	0.3
189.01834	0.6
190.07480	4.3
198.08035	0.7
199.92491	0.4
202.07504	0.6
207.07669	0.7
208.08568	2.9
213.09186	0.4
214.07388	0.4
215.13878	0.8
216.09055	9.1
216.12192	2.0
217.08575	0.3
218.07018	1.2
219.10181	0.3
220.08568	1.0
225.09052	11.8
227.10612	0.8
228.08969	0.6
230.10721	0.3
231.10182	0.9
233.14925	4.6
234.10101	5.1
236.08138	0.5
236.71329	0.3
241.08559	0.3
243.10156	70.3
244.08562	1.3
244.10730	0.5
245.08279	0.7
245.11794	1.7
246.10146	2.1
247.09746	0.4
253.08568	2.0
254.07027	0.5
254.11539	0.3
255.10143	1.1
257.11716	0.7
261.11203	24.7
262.09525	0.6
266.11749	2.5
271.09613	7.3
272.08014	1.2
273.11240	0.6
282.11212	1.5
284.12921	0.7
287.16418	0.5
289.10669	11.4
296.12875	0.8
299.13449	0.3
300.12195	1.7
307.11734	4.3
312.12155	0.5
314.13855	2.0
324.12289	1.0
325.10654	2.6
326.10187	2.6
326.17499	0.9
341.13251	0.7
343.11725	0.8
344.11273	2.8
344.18491	0.6
352.11935	0.5
352.19052	4.2
353.10138	5.2
368.18442	0.8
370.12714	0.8
370.20148	7.1
371.11139	0.8
393.21756	0.9
396.18051	1.7
414.19064	2.5
427.69125	0.3
439.22263	11.9
449.20630	0.5
457.23300	0.6
467.21738	25.6
468.21820	0.6
485.22812	100.0
486.22910	1.7
503.23853	11.1
508.24417	0.7
526.25586	0.5
611.00751	0.4
760.96960	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79029	1.4
53.03947	3.8
55.02663	1.5
55.05257	2.1
55.05509	24.4
55.21204	1.4
57.03434	11.5
57.07060	2.9
61.58989	1.5
65.03927	3.1
67.05501	68.0
69.07061	20.5
70.73969	4.0
70.95815	1.7
71.04989	10.2
72.43484	1.5
79.05488	42.2
81.07053	100.0
83.04962	5.4
83.08617	15.2
85.02940	3.0
85.06530	6.0
91.05480	30.4
93.06464	2.8
93.07037	46.4
95.04963	6.6
95.08599	88.8
97.02886	2.5
97.06526	9.5
97.10136	3.2
99.08093	4.1
105.07027	26.4
107.08584	29.3
109.06523	2.7
109.10153	24.2
111.08083	3.8
113.09610	1.6
117.07025	4.8
119.08582	24.0
121.10146	19.8
123.08053	3.3
123.11707	5.4
125.09636	2.1
131.08571	8.8
133.10112	18.3
135.11682	15.4
137.13248	6.5
145.10103	6.9
147.11679	5.6
149.13278	9.2
154.01659	1.7
159.11682	4.7
161.13248	24.7
161.14438	2.6
163.14780	5.0
165.12743	1.5
171.11609	2.1
173.13269	6.5
175.14845	1.9
177.12752	2.2
177.16405	2.4
179.14291	15.9
187.14783	2.6
201.16356	2.3
243.21115	7.9
253.17969	23.6
261.22107	28.4
269.17340	2.1
271.19028	66.3
317.24899	2.7
330.77615	1.6
333.23779	1.6
335.25787	71.0
336.26035	1.9
337.27261	3.1
353.26797	9.2
436.77692	1.6
439.35480	2.9
441.06360	1.6
447.80652	1.9
457.36755	3.0
461.32535	1.7
513.39490	10.3
531.40442	66.9
532.40741	2.7
549.41669	2.1
583.22308	1.6
659.57813	1.7
729.41449	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	730.5671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.2
57.07072	32.8
59.05008	0.7
67.05513	0.7
69.07060	4.0
70.09753	1.9
70.10156	1.2
71.08627	28.7
73.06549	8.8
73.06921	1.0
81.07058	0.9
83.08603	4.6
85.10178	17.6
87.04459	10.3
89.06024	100.0
91.07584	1.2
97.06504	0.6
97.10164	5.8
99.11717	3.0
103.68545	0.5
107.07081	4.6
107.71308	0.6
111.11713	3.2
113.13255	0.7
117.09119	7.4
125.13281	2.5
127.14832	1.4
130.08624	3.9
131.07037	2.8
133.08595	52.1
135.10164	1.5
139.14786	0.8
141.16379	0.9
155.17937	0.9
161.11757	1.9
173.77112	0.5
175.09650	2.1
177.11211	21.0
211.24248	2.5
221.13881	2.8
223.15602	0.7
239.14934	1.2
241.47408	0.6
255.26895	2.0
283.17664	1.0
294.45615	0.6
299.29352	4.6
327.20349	0.8
343.31952	3.2
503.30606	1.3
713.54181	1.9
730.56653	2.3
731.45435	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01866	0.3
56.05036	0.2
57.03431	0.7
60.53690	0.1
61.02928	0.9
63.52514	0.1
66.52880	0.1
67.05493	0.4
68.99791	0.3
69.03428	5.5
69.46296	1.1
69.46715	0.3
70.06596	1.1
71.01331	0.1
71.04980	0.4
72.08144	0.3
73.02917	1.1
74.02425	0.4
79.05504	0.2
80.05027	0.1
81.03417	3.8
81.07035	0.4
82.02946	0.2
82.06570	0.3
83.01319	0.2
83.04961	0.2
84.04504	0.5
84.08141	0.5
85.02902	4.6
86.09684	0.4
87.00832	3.4
87.04460	0.2
88.03999	0.1
91.03945	0.6
91.05484	0.8
91.05946	0.1
92.02628	0.5
93.03376	0.4
93.06992	0.1
95.04991	0.2
95.08569	0.2
97.02891	3.1
98.06052	0.3
98.97587	0.2
99.04447	1.2
99.05534	0.7
100.03993	0.3
102.05551	0.2
103.03857	0.2
105.01857	1.8
105.06995	0.2
107.08560	0.2
109.02881	1.9
110.07134	0.2
111.00808	0.3
115.03920	0.2
116.07110	0.4
117.01862	1.1
118.05028	0.3
121.02853	0.9
123.11727	0.2
126.03104	0.2
127.03909	4.1
129.10210	0.2
130.04939	0.2
133.10098	0.2
136.07555	0.2
137.02414	0.2
139.03914	0.7
145.04935	0.8
145.05983	0.2
146.04477	1.1
147.04599	0.2
149.09564	0.4
151.03929	1.0
151.11163	0.3
153.01825	4.6
159.02898	3.6
163.03940	0.3
163.07140	1.2
164.07521	0.2
165.01845	0.6
168.13812	0.3
171.02835	0.2
177.05502	0.5
201.05470	0.4
204.13745	0.3
206.04779	0.1
213.03917	0.3
217.04976	0.4
218.05832	0.4
222.14929	0.3
228.04205	0.7
229.04958	2.1
231.02837	0.1
231.04993	2.4
232.13368	0.2
240.15950	0.3
243.06522	0.3
245.04449	0.5
246.05186	1.3
250.14395	1.8
250.31339	0.2
256.03711	0.3
257.04434	2.1
260.03326	0.3
261.07571	0.2
271.06015	0.3
273.03918	1.4
274.04715	3.8
275.05048	0.2
285.03918	3.7
288.06229	0.2
295.06042	0.2
301.03427	0.2
302.04211	10.6
303.04916	0.7
317.06546	100.0
318.06900	1.4
325.03577	0.2
325.07129	0.3
337.06912	0.2
341.06604	0.2
355.08401	0.2
359.07443	0.4
370.18582	0.4
379.08218	0.2
383.07401	0.5
387.21176	0.8
405.22363	2.0
409.09122	0.2
419.09531	0.2
431.23999	0.3
449.24844	0.7
457.11264	0.4
475.11844	0.2
479.11838	12.0
480.12073	0.2
567.27863	0.7
577.15338	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.1
57.40852	0.6
67.05492	3.4
71.60529	1.1
72.98131	0.8
79.05491	1.1
81.03439	0.8
81.07037	1.7
93.07027	1.5
95.08614	1.6
105.07018	0.9
107.08588	0.8
109.66395	0.7
121.10126	1.0
131.08546	0.7
133.10098	0.9
174.10646	0.7
181.22505	0.7
214.35460	0.8
233.79398	0.8
284.49182	0.7
335.25644	1.1
346.58374	0.9
380.32245	0.6
650.04211	0.7
725.44391	100.0
726.44415	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	726.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81141	1.2
51.91621	1.2
52.98027	1.2
53.03941	2.8
53.24852	1.5
55.05507	11.3
57.03437	12.8
57.07069	3.0
61.02911	2.1
65.03926	2.0
67.05500	52.8
69.07067	16.3
71.04973	2.8
79.05488	38.2
81.07050	63.8
83.04980	2.7
83.08618	8.8
85.02910	2.4
85.06534	3.2
91.05475	16.3
93.07042	49.7
93.07629	3.2
95.04949	5.4
95.08600	30.3
97.06527	5.9
97.10179	2.1
101.65270	1.5
105.04482	1.7
105.07018	9.8
107.08585	26.8
109.10147	9.6
111.08071	3.1
117.07011	5.3
119.08589	7.1
121.06518	1.4
121.10132	18.6
123.11730	4.8
124.35831	1.5
131.08554	11.1
133.10097	6.2
135.11699	11.1
139.11151	1.4
145.10121	4.2
147.11642	4.7
149.13248	18.7
159.11687	11.8
161.13232	2.0
163.14751	1.6
173.13191	1.9
177.12706	3.2
195.13788	7.4
213.14842	1.4
243.21049	3.2
261.22095	10.0
269.17459	47.4
280.65430	1.3
305.79996	1.3
317.24600	2.1
335.25751	56.3
529.38867	100.0
530.38702	3.7
582.21307	1.3
616.43378	1.3
699.69513	1.9
748.14807	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
54.03478	1.2
55.01876	0.9
55.05509	2.6
56.05039	0.7
56.96570	0.4
57.03431	1.9
59.24725	0.3
61.02933	1.1
65.03942	0.6
67.05508	2.9
68.05009	0.4
69.03423	4.2
69.07083	0.5
70.06590	2.3
71.05005	0.5
71.06138	0.6
71.58429	0.3
71.58858	0.6
72.04515	6.0
72.08155	0.4
73.02930	1.1
74.02439	20.8
79.05493	3.9
80.04999	0.8
81.03416	34.9
81.07053	3.4
82.02946	4.4
83.01339	0.8
83.04981	2.3
83.08620	7.3
84.04517	1.1
84.08151	0.7
85.02913	2.7
86.09699	0.6
91.03947	0.4
91.05474	4.9
93.07042	2.8
94.06574	0.4
94.22790	0.4
95.04965	9.0
95.05551	0.7
95.08606	1.4
96.04488	0.8
97.02890	2.0
97.10188	0.8
98.06077	0.9
98.97607	0.4
99.04565	3.4
99.05573	25.3
100.03981	8.7
101.02347	0.7
102.05524	0.5
105.07028	3.6
107.04945	2.2
107.08610	1.8
109.02834	0.6
109.06521	1.2
109.10183	0.3
110.07162	0.5
111.04437	0.9
111.08085	3.5
113.84592	0.3
115.05399	0.4
116.07088	1.6
117.06600	4.4
118.05009	15.6
118.96303	0.3
119.04920	0.9
119.08575	3.7
121.06507	0.7
121.10151	1.5
123.04402	0.6
123.08072	0.4
127.03901	0.5
128.03423	1.1
129.07011	2.7
129.10275	0.3
130.05017	0.5
131.08572	2.5
133.06482	1.0
133.10179	1.5
135.04434	0.7
136.07556	0.5
137.09648	0.5
142.07782	1.0
145.04939	0.6
145.06073	10.3
145.10092	0.4
146.04478	57.5
146.99582	0.4
147.04446	1.3
147.08038	1.1
147.11653	2.5
149.09618	2.6
157.10136	4.2
163.03998	2.1
163.07132	100.0
164.07352	0.6
165.12759	0.5
175.11189	4.2
177.05476	0.4
180.05626	0.5
181.06464	0.9
184.13292	0.3
189.05441	0.4
192.10458	0.3
193.12241	24.8
195.08022	0.6
197.05960	0.5
210.14931	0.9
211.13269	2.2
220.13275	1.3
223.07597	0.5
230.11719	0.4
235.13266	0.7
237.02660	0.5
238.14282	0.4
241.08560	1.7
243.09818	0.4
248.12865	1.9
259.13159	0.3
261.10794	3.9
266.13751	1.3
267.15909	15.8
285.16949	17.8
296.06293	0.4
303.04803	0.4
304.12317	0.4
309.16956	3.1
323.05423	0.4
325.12320	0.4
339.08252	0.6
357.08508	0.5
363.17941	0.4
375.18100	0.4
378.08160	0.3
383.07465	0.5
384.08090	0.4
385.19403	0.7
386.17758	0.9
395.51834	0.4
399.09946	0.3
403.20483	0.6
417.12970	0.3
421.21466	0.9
429.21866	1.1
447.23471	2.1
510.22583	0.3
517.47131	0.3
609.28094	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22795	0.2
55.05499	0.3
67.05509	1.1
69.07053	0.3
71.04988	0.2
71.60303	0.3
79.05488	0.5
81.03425	0.4
81.07046	0.9
81.29469	0.2
89.05996	0.4
91.05467	0.3
93.07025	0.6
95.08610	0.6
102.38403	0.2
105.06988	0.5
107.08585	0.3
109.10155	0.4
119.08605	0.2
121.10142	0.3
131.08566	0.3
133.10141	0.2
135.11737	0.3
151.64101	0.2
208.13354	0.2
235.08168	0.2
244.86154	0.2
271.05414	0.2
284.57819	0.2
335.25894	0.4
435.68887	0.2
456.24686	0.2
561.41479	0.4
669.82990	0.2
723.48584	100.0
724.49139	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.9
55.05285	2.8
55.05511	23.4
57.03426	6.7
57.07074	3.4
67.05506	69.2
69.03420	8.4
69.07076	15.5
69.47466	15.7
71.04996	22.6
79.05497	36.8
81.03415	21.8
81.07061	100.0
83.04984	17.5
83.08614	8.2
85.02927	1.8
85.06544	7.1
91.05486	27.6
93.07051	37.4
95.04961	6.0
95.08609	29.2
95.38887	1.7
97.02887	3.9
97.06511	6.1
97.10164	3.1
98.20721	2.3
99.04488	2.2
100.33550	2.1
100.93085	2.2
103.05470	2.6
105.07043	21.2
107.08595	24.6
107.09721	2.4
107.99519	2.8
109.02914	3.1
109.06499	3.8
109.10168	13.8
111.04430	3.6
111.08067	4.2
117.07001	9.2
119.08592	15.1
121.10143	18.6
123.08019	2.2
123.11729	15.3
129.05492	8.6
129.06996	4.5
131.08583	11.1
133.10129	23.2
135.11719	11.9
143.08565	4.7
143.27399	2.3
145.10138	7.5
147.08006	2.5
147.11678	8.5
149.13264	11.4
151.11169	6.6
157.10123	3.6
159.11754	10.6
161.13226	3.6
169.10065	2.3
171.08064	2.4
171.11757	3.0
173.04529	4.7
173.13208	3.2
175.14697	2.1
177.12747	3.7
183.13921	2.7
187.13361	10.7
187.14746	2.4
195.13811	6.4
225.14938	5.8
243.15865	6.1
257.17490	3.5
261.22046	2.6
269.17447	9.2
276.54639	2.2
301.21536	2.0
317.25046	2.5
335.25833	16.1
387.25479	3.6
445.24020	3.0
479.30151	2.6
503.37378	26.7
505.38702	18.9
517.38849	3.2
529.38660	8.7
549.91986	2.3
561.41449	22.1
673.43134	6.5
705.44702	5.6
723.46613	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84646	0.4
71.60916	0.5
74.58820	0.4
81.07034	0.5
88.69611	0.4
101.14343	0.4
184.53215	0.4
223.33748	0.5
306.85596	0.4
566.06677	0.5
692.04565	0.5
721.50690	100.0
722.51123	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47698	1.2
53.03944	2.5
55.05506	15.8
57.03417	4.4
57.07063	2.4
63.55672	1.2
65.03941	2.6
67.05499	49.0
69.03429	7.0
69.07069	12.8
71.04992	14.4
71.35305	3.2
71.73527	1.5
72.07244	1.3
79.05489	21.4
81.03402	10.6
81.07052	63.4
83.04985	13.7
83.08611	7.5
85.06528	7.4
91.05474	19.9
93.07049	26.1
95.04972	2.9
95.08599	21.9
97.02894	2.3
97.06538	4.4
97.10156	3.3
99.04494	1.6
99.08082	1.6
105.07019	14.4
107.04931	1.8
107.08591	14.9
109.06540	3.7
109.10136	12.2
111.04430	2.7
111.08081	2.3
113.48881	1.3
117.07014	6.6
119.08582	8.6
121.10146	9.8
123.11693	8.8
125.09588	2.0
129.05542	6.3
129.07027	4.4
131.08534	10.3
133.10115	14.0
135.08044	1.9
135.11681	6.1
143.08551	4.5
145.10153	5.5
147.08057	1.7
147.11653	7.7
149.13297	6.2
151.11183	4.6
153.12686	1.5
157.10143	3.3
159.11732	5.4
161.13269	3.0
165.12788	2.2
169.12297	1.7
171.11722	1.3
173.04422	1.9
173.13229	3.1
175.11165	2.7
175.14825	1.3
177.12755	3.0
185.13373	2.1
187.13319	4.5
187.14828	1.9
193.12190	1.5
195.13750	2.1
197.13304	1.7
199.15105	1.4
201.14810	1.7
225.14835	3.3
227.16431	4.0
234.20180	1.3
243.16025	3.7
257.17578	3.6
261.22192	2.6
267.16382	1.7
269.17624	5.9
317.24823	1.6
335.25793	9.0
337.61090	1.6
351.23270	2.3
369.24313	3.3
387.25369	1.9
443.28012	1.6
445.24423	2.0
461.28995	1.8
503.37289	16.6
505.38821	21.4
529.39032	5.6
561.41919	7.0
647.41437	1.7
673.42993	4.9
691.43866	2.7
705.45978	3.0
723.46533	100.0
724.46899	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	718.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00332	0.5
55.05509	1.9
57.07074	35.3
59.05000	0.8
67.05492	0.7
67.17135	0.3
69.07059	1.9
71.04979	0.4
71.08628	25.2
71.34123	0.7
73.02903	1.2
73.06161	0.7
73.06552	10.7
74.58871	0.3
80.37552	0.3
83.08615	1.7
85.10178	20.2
87.04466	12.1
89.06026	100.0
91.07581	0.9
97.10165	3.5
99.11717	3.9
103.07574	0.4
107.07053	5.6
111.11686	0.5
113.06035	0.4
113.13280	1.3
114.09149	0.5
117.09118	9.2
120.44607	0.3
130.08633	3.5
131.07039	3.3
133.08594	50.4
135.10216	0.8
138.38799	0.3
151.09660	0.6
155.17928	4.8
161.11714	2.3
175.09708	1.8
177.11214	21.8
184.07166	0.3
193.28923	0.3
199.20570	4.1
219.12350	0.5
221.13841	3.8
223.15411	0.5
239.14801	1.3
240.23260	0.9
243.23178	8.8
265.16498	0.6
283.17554	1.6
287.25772	4.3
309.18857	0.5
327.20102	1.2
371.22638	0.4
415.75601	0.4
440.61862	0.3
547.32941	1.0
701.50366	2.3
718.51807	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91318	0.6
67.05479	0.6
68.00405	0.6
69.03415	0.8
71.58462	0.8
82.99849	0.8
85.02905	0.7
89.03899	1.7
95.04927	2.0
97.02899	0.8
98.97578	1.1
99.04484	0.7
101.00852	4.5
105.00347	1.1
107.04977	0.7
109.02884	1.5
111.04390	0.8
115.02441	0.6
117.03379	3.1
117.58945	0.7
119.01914	18.9
121.02776	1.2
127.02428	0.7
131.01880	5.9
133.03419	0.8
135.04384	8.8
137.02966	4.0
141.15329	0.6
143.01892	11.9
145.02715	5.0
145.03481	7.9
147.01389	1.6
149.02936	1.3
155.01871	8.5
157.03497	4.0
161.02956	18.0
163.03889	75.9
167.01924	4.8
169.03439	4.5
171.05020	4.4
173.02954	19.3
175.04491	2.3
179.01956	2.5
181.03430	1.0
184.04594	0.7
185.01077	1.7
185.02942	32.8
187.04503	6.2
189.06097	1.0
191.04036	1.1
193.03406	1.3
195.05051	1.1
197.02940	12.3
199.04570	1.4
203.01978	1.5
203.03964	9.9
205.03616	0.7
209.02988	2.4
213.06084	1.3
215.04004	11.8
221.02946	41.1
221.04883	1.9
227.03989	9.3
233.05035	1.8
239.03990	15.3
245.05063	91.7
246.05231	1.5
247.04640	1.8
257.02527	1.1
257.05069	16.1
259.04587	1.7
261.04626	2.7
263.03900	3.4
263.06149	9.8
271.04449	15.4
271.07077	1.2
273.06055	1.9
275.06088	10.6
277.05621	1.8
279.05563	1.0
281.05038	5.1
285.05893	1.6
287.03674	3.7
289.05545	9.5
291.07297	1.1
293.07297	3.8
295.06601	2.1
297.06039	2.3
299.03494	3.5
303.07104	0.7
305.07419	12.5
307.06580	5.5
309.08206	2.0
313.05484	5.0
315.03870	1.3
315.07086	1.8
317.04874	2.9
321.08212	0.8
323.06500	4.0
323.09457	0.9
325.07816	0.9
331.06586	7.0
333.04547	1.5
333.08218	2.5
335.08307	2.2
341.05173	2.8
347.06216	1.9
349.07623	12.7
351.05490	2.1
351.09445	1.6
359.06039	6.4
365.09103	5.6
367.08743	2.6
369.06561	3.8
372.09528	0.7
377.07120	27.1
383.10648	0.7
395.08203	14.4
413.09140	1.2
418.10150	0.6
419.08154	5.6
431.08359	1.5
437.09280	100.0
438.09561	1.6
449.09283	13.2
455.10370	14.2
461.09100	3.0
463.10922	0.7
467.10248	7.6
473.09369	0.7
478.12140	0.9
479.10355	12.5
481.11780	2.6
491.10327	2.7
497.11285	2.7
509.11450	3.2
521.11206	6.8
539.12323	10.8
557.13586	1.4
581.14026	0.9
719.18921	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85658	6.1
55.05509	21.7
57.03432	19.5
67.05508	63.3
69.07066	29.7
69.77003	34.1
79.05494	50.0
81.07063	100.0
83.08611	13.0
83.55353	5.5
85.06602	7.0
91.05495	36.3
93.07043	52.5
95.08607	74.4
97.10168	7.4
98.21392	8.8
105.07040	40.9
107.08601	24.6
109.10152	31.2
111.08050	9.4
117.07011	10.5
119.08585	30.4
121.10152	28.3
123.11739	8.4
131.08543	21.6
133.10110	23.9
133.65436	6.2
135.11757	19.0
143.08551	6.9
145.10118	15.8
147.11678	23.3
157.10088	8.3
159.11690	17.3
161.13277	15.4
165.12755	8.8
175.14903	8.3
187.14902	9.1
199.14828	7.3
239.16431	23.9
251.28120	5.8
335.25809	50.0
337.27219	14.8
338.27670	21.0
425.33963	19.1
443.35275	11.1
499.37900	31.8
517.38892	85.1
534.42212	12.3
655.65240	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	714.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.2
56.05053	3.8
57.07066	2.1
58.06572	0.7
60.04516	2.3
65.03938	0.7
67.05511	9.0
69.03424	0.9
69.07065	4.4
70.06583	1.5
71.08652	0.9
73.60094	0.7
79.05499	7.6
80.05010	2.2
81.05813	1.2
81.07059	8.2
82.06573	5.1
83.08630	4.4
85.02905	1.2
91.05489	4.8
93.07061	7.8
94.06567	13.3
95.07352	5.2
95.08604	6.8
96.08125	5.8
97.10147	2.2
105.07034	4.9
107.08607	4.3
108.08117	2.6
109.10168	2.2
119.08555	4.1
121.10131	3.5
122.09682	1.6
123.11720	0.9
133.10136	2.5
135.11649	2.0
149.13269	1.2
225.74768	0.7
233.22679	4.1
245.22711	4.7
250.25301	6.9
262.25308	100.0
263.25684	2.3
272.25888	5.8
280.26425	5.5
392.83218	0.8
401.30154	0.7
437.58246	0.8
504.47888	5.0
506.90091	0.8
516.47778	27.2
518.49268	4.3
534.48877	14.1
696.53784	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	715.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40055	0.6
56.96561	0.9
67.05501	0.7
70.06591	0.9
70.45135	0.6
71.59003	0.8
79.05511	0.6
81.07062	1.3
87.20930	0.5
88.07114	0.6
92.66907	0.5
93.07050	0.9
95.08590	1.0
109.10168	0.6
113.02216	0.7
116.58334	0.6
119.01923	0.7
119.08641	0.7
131.04955	1.1
133.03564	0.6
147.04420	0.9
148.04994	0.6
163.07571	0.6
167.07152	0.9
185.04295	1.0
201.03763	1.3
203.05325	2.1
257.06378	0.7
259.07907	1.5
275.07431	0.9
277.50986	0.6
305.07376	0.7
317.19934	0.8
319.09952	2.3
331.10184	1.5
347.09482	4.9
359.13263	0.6
363.09009	2.3
365.10547	4.5
421.13232	3.0
431.32278	0.6
437.12479	0.7
449.32855	0.7
467.33798	1.6
483.22238	1.2
493.15381	4.9
507.16998	1.1
521.18549	1.4
553.29901	8.0
563.23370	1.3
577.24927	2.2
617.27441	0.7
645.27539	2.0
715.35065	100.0
716.35474	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.0
57.07072	33.1
58.35625	0.9
59.04979	1.0
69.07060	3.6
69.46839	3.1
69.47263	3.2
71.08625	28.5
73.02910	1.0
73.06551	8.6
83.08602	4.5
85.10175	18.1
87.04482	9.1
89.06026	100.0
91.07604	0.9
97.10166	4.2
99.11728	2.3
107.07056	5.0
111.11716	2.8
113.13285	2.4
117.09132	7.0
125.13274	2.0
127.14867	1.6
130.08643	4.6
131.07034	3.2
133.08594	50.3
135.10114	1.3
141.16348	1.6
155.18086	1.2
161.11794	2.2
171.35313	0.8
175.09615	1.4
177.11194	22.2
197.22668	3.4
221.13857	3.4
239.14812	1.1
241.25291	2.0
283.17447	1.9
285.27859	5.3
318.75159	0.8
329.30487	3.7
355.11661	0.9
375.41309	0.9
465.95590	0.9
503.30737	1.4
699.52515	1.5
716.42938	1.0
716.54999	2.9
717.46082	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
53.36220	0.4
55.05490	0.6
55.89774	0.5
56.00914	0.4
57.03434	1.0
61.02917	1.1
65.03969	0.6
67.05500	0.9
69.03432	4.5
70.06583	2.6
70.29652	0.5
70.72282	0.7
70.72617	1.1
71.05006	0.7
72.08147	0.5
73.02909	0.8
79.05482	1.3
80.05006	0.6
81.03413	2.1
81.07039	1.0
84.08099	0.6
85.02896	5.5
86.09703	1.5
87.04435	0.7
91.05495	1.7
93.05767	1.0
93.07038	2.1
94.06559	3.2
95.04945	0.6
95.07372	1.1
95.08609	0.8
96.08126	2.2
96.08682	0.5
97.02881	2.2
99.04470	0.9
103.05473	0.7
105.07054	0.8
107.07327	1.2
108.08114	5.9
109.02883	1.3
110.06029	0.9
110.09676	5.4
120.04476	2.6
120.08101	6.5
121.10165	0.5
122.06016	6.9
122.09634	3.2
124.07629	0.7
127.03960	1.6
136.07564	10.1
137.06004	0.9
138.05487	0.7
138.09123	9.0
145.02884	1.1
146.06006	1.7
146.09653	0.5
148.07549	6.2
150.09123	6.8
152.07097	1.5
164.07097	1.5
166.08623	19.2
172.03951	1.1
174.05537	0.9
176.10765	1.1
177.05511	1.1
180.10255	1.0
182.11874	0.6
184.09933	0.8
190.05002	1.6
194.08192	1.4
197.10768	0.9
207.09064	0.6
209.10768	1.5
211.08662	0.5
211.12344	0.7
212.09439	0.9
213.10349	0.6
220.09822	0.5
221.10822	1.0
223.08728	1.7
223.12161	0.9
224.09451	1.1
225.10201	3.8
226.10925	0.8
227.11844	1.9
233.10765	1.4
235.08725	2.3
235.12334	1.1
236.09448	1.6
237.10208	10.2
238.11038	2.0
239.08197	1.0
239.11838	3.6
241.09764	0.8
247.08838	0.5
248.09451	2.6
249.10213	6.9
250.10999	3.4
251.08215	3.8
251.11804	10.0
252.08868	0.7
252.12614	1.6
253.09712	4.7
254.10439	0.7
255.11316	4.1
261.10211	6.4
262.11032	2.1
263.08139	0.8
263.11746	6.6
264.09122	0.8
264.12463	1.0
265.09720	14.9
265.12808	0.8
266.10468	2.1
266.14285	0.5
267.11261	7.9
268.11972	1.0
269.09128	0.6
269.12933	0.6
271.10883	1.8
273.12262	1.1
275.07993	0.8
276.08868	0.7
277.09625	3.5
278.06750	1.8
278.10526	5.4
279.07788	2.5
279.11230	19.0
280.09137	0.7
280.11835	2.7
281.09811	3.4
281.12854	3.3
282.10092	1.4
283.10828	6.4
283.14035	0.9
285.12390	1.4
287.13971	1.6
289.09695	12.1
290.10403	0.8
291.11279	5.2
292.08475	0.7
292.11783	0.7
293.09222	6.5
293.12860	4.9
294.09998	4.3
294.13400	1.0
295.10800	4.7
295.13956	0.9
296.11526	3.1
297.09024	1.2
297.12430	3.3
298.12775	0.7
299.10385	1.5
299.13818	0.7
302.13037	0.6
305.09189	0.6
306.10065	1.7
307.10651	5.3
308.11594	2.0
309.08887	0.9
309.12180	5.7
310.13055	1.3
311.10315	7.6
311.13947	2.2
312.10977	3.0
313.11652	3.0
314.12689	1.4
317.09375	2.2
319.10852	0.6
321.08792	0.9
321.12512	1.6
323.10275	2.8
323.13989	4.4
324.10999	2.8
325.11710	5.2
326.12640	4.2
327.13351	7.0
328.14255	0.9
329.15222	0.7
330.16217	0.7
334.09860	0.5
335.10233	21.8
336.11105	0.7
337.11707	3.6
339.13373	49.6
340.10593	3.9
340.13885	1.0
341.11365	5.8
341.15222	1.5
342.16095	0.8
344.17569	0.9
349.11761	0.7
351.09814	0.9
352.10739	1.6
353.11243	13.7
354.12115	5.6
355.12857	17.1
367.12881	42.0
368.13400	1.3
384.17010	0.6
387.15366	0.8
399.15686	1.1
400.16650	1.2
402.18103	0.7
418.17621	0.8
432.19144	2.0
442.17490	0.8
444.19159	1.6
459.18201	0.6
460.18704	5.4
470.17447	0.8
472.18799	0.8
474.20184	1.7
478.19821	1.8
479.20306	1.2
488.18176	32.0
490.19879	1.1
492.21280	2.4
502.19769	1.3
506.19214	22.1
506.26779	1.1
520.20740	23.3
534.18597	1.7
548.19885	0.9
552.23407	0.9
622.23761	2.1
632.22339	1.1
650.23431	15.2
654.26239	1.9
682.25989	100.0
683.26733	2.4
714.28461	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22642	4.8
51.69640	4.1
55.05514	27.1
57.03431	16.1
57.12709	4.9
67.05510	76.3
69.03418	7.3
69.07075	26.8
71.04980	10.9
71.60511	7.2
71.60902	5.4
78.61382	5.3
79.05487	41.9
81.03394	6.1
81.07060	100.0
83.08620	11.6
85.06521	6.1
89.23723	4.7
91.05474	32.6
93.07051	38.8
95.04972	9.0
95.08607	80.5
97.02880	4.4
97.06528	10.0
97.10176	9.5
99.08060	6.8
105.07045	26.4
107.08596	20.5
109.10168	16.2
114.43946	4.7
114.97144	4.7
117.06974	6.0
119.08577	23.3
121.10120	12.5
123.08089	4.8
123.11739	9.3
131.08571	7.4
133.10165	21.4
135.11674	12.7
147.11662	8.0
151.14940	5.2
155.08624	4.0
156.07066	4.3
161.13275	21.6
179.14304	13.3
185.06108	4.9
188.14931	4.4
189.16309	6.4
245.22739	8.4
253.18050	23.7
263.23715	19.2
271.19034	49.2
335.26004	5.6
337.27426	64.8
515.40991	18.1
517.37830	5.4
533.41858	39.5
682.53082	5.3
713.41138	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	713.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22642	4.8
51.69640	4.1
55.05514	27.1
57.03431	16.1
57.12709	4.9
67.05510	76.3
69.03418	7.3
69.07075	26.8
71.04980	10.9
71.60511	7.2
71.60902	5.4
78.61382	5.3
79.05487	41.9
81.03394	6.1
81.07060	100.0
83.08620	11.6
85.06521	6.1
89.23723	4.7
91.05474	32.6
93.07051	38.8
95.04972	9.0
95.08607	80.5
97.02880	4.4
97.06528	10.0
97.10176	9.5
99.08060	6.8
105.07045	26.4
107.08596	20.5
109.10168	16.2
114.43946	4.7
114.97144	4.7
117.06974	6.0
119.08577	23.3
121.10120	12.5
123.08089	4.8
123.11739	9.3
131.08571	7.4
133.10165	21.4
135.11674	12.7
147.11662	8.0
151.14940	5.2
155.08624	4.0
156.07066	4.3
161.13275	21.6
179.14304	13.3
185.06108	4.9
188.14931	4.4
189.16309	6.4
245.22739	8.4
253.18050	23.7
263.23715	19.2
271.19034	49.2
335.26004	5.6
337.27426	64.8
515.40991	18.1
517.37830	5.4
533.41858	39.5
682.53082	5.3
713.41138	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	713.1555
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
53.03933	0.4
55.01864	0.2
56.33808	0.1
57.03424	0.3
61.02929	0.5
67.81553	0.1
68.99790	0.6
69.00114	0.1
69.03424	4.4
69.03803	0.2
70.77342	0.3
71.01352	0.1
71.04990	0.3
72.90940	0.1
73.02920	0.6
81.03413	2.4
83.01319	0.1
85.02898	2.9
87.00827	3.0
91.03957	0.5
92.29375	0.1
93.03387	0.1
97.02890	1.8
99.04437	0.8
105.01862	1.4
109.02870	2.0
109.45389	0.1
111.00795	0.7
112.21056	0.1
115.05393	0.1
117.01881	0.8
117.98172	0.1
121.02876	0.5
127.03912	3.8
129.01851	0.1
137.02327	2.0
145.04955	0.9
145.06082	0.1
145.06447	0.1
149.02336	0.3
153.01816	2.3
159.02882	3.6
161.05991	0.2
163.03897	0.2
165.01857	1.3
173.05994	0.3
177.03920	0.2
183.02872	0.4
183.04372	0.1
187.03905	0.2
191.03517	0.1
201.05484	1.1
205.04916	0.1
213.03842	0.2
219.02885	0.2
219.06502	0.2
229.04945	3.1
231.04991	2.2
247.06024	0.6
257.04446	1.9
274.04630	0.5
285.03946	1.0
302.04251	0.1
303.04968	100.0
304.05359	1.2
316.90482	0.1
345.06012	0.4
355.02832	0.1
369.06107	0.2
411.07156	0.1
465.10272	10.8
466.10077	0.2
528.43561	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	713.1556
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
53.03719	0.1
53.03938	1.1
53.04295	0.1
55.01869	0.8
55.05487	0.1
56.96565	0.2
57.03428	0.8
61.02922	0.7
63.28969	0.1
67.01852	0.2
67.05497	0.2
68.99774	1.0
69.03426	4.7
69.03806	0.2
69.07059	0.2
70.06588	1.4
71.04993	0.8
71.59226	0.2
71.59923	0.1
72.08142	0.2
73.02912	0.9
81.03413	5.6
81.07047	0.1
82.06572	0.3
83.01340	0.2
83.04958	0.1
84.04476	0.4
84.08131	1.0
85.02901	9.0
86.09704	1.0
87.00828	3.1
87.04454	0.2
91.03965	0.3
91.05467	0.3
93.03388	0.3
93.07032	0.1
94.06604	0.1
94.25142	0.1
95.04940	0.3
95.69257	0.1
97.02888	3.5
99.04451	1.8
101.13731	0.1
103.03944	0.2
104.10735	0.1
105.01859	2.6
105.07049	0.2
107.04957	0.2
109.02875	4.4
109.06499	0.1
110.07133	0.2
111.00793	0.8
113.11128	0.1
115.03918	0.2
116.98655	0.1
117.01844	0.8
119.08573	0.3
120.08096	0.5
120.08925	0.1
121.02849	0.7
123.04403	0.3
127.03909	7.1
129.01790	0.6
129.10207	0.3
131.04883	0.2
134.99640	0.1
135.04501	0.2
136.07565	0.4
137.02322	2.4
137.05949	0.3
145.02885	0.2
145.04955	2.7
145.06175	0.2
146.04492	0.2
147.02843	0.4
147.04408	0.2
149.01108	0.1
149.02356	0.4
149.21452	0.1
151.03882	0.2
153.01813	3.0
154.04942	0.2
155.04886	0.1
159.02885	3.0
159.04227	0.2
161.05960	0.3
163.03905	0.7
163.07275	0.1
165.01808	1.8
166.02646	0.1
171.02928	0.1
172.03909	0.3
173.05934	0.3
177.05478	0.2
183.02882	0.8
183.04361	0.2
187.04143	0.1
189.04044	0.2
191.03412	0.2
195.02861	0.3
201.05482	1.6
201.07199	0.2
202.36847	0.1
204.06512	0.7
205.04942	0.3
213.12543	0.2
219.06554	0.2
229.04962	3.7
229.07309	0.2
231.04997	1.7
231.13345	0.2
243.06606	0.2
247.05962	0.7
249.14449	0.3
257.04449	2.6
274.04773	0.9
275.05368	0.2
285.03976	1.4
287.10208	0.2
302.04211	0.2
303.04965	100.0
304.05212	1.1
305.11508	0.2
345.05997	0.5
357.10626	0.3
357.14636	0.3
367.64615	0.2
389.13251	0.2
465.10278	15.5
512.17529	0.1
551.10345	0.3
642.42267	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	711.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52069	3.0
53.03934	2.8
55.05288	3.2
55.05508	28.1
57.03434	13.8
57.07052	4.1
58.53721	2.7
65.03938	4.9
67.05501	83.1
69.03415	3.3
69.07066	26.3
71.04986	9.0
71.60521	3.6
71.60904	2.9
79.05492	52.0
81.03418	2.9
81.07054	100.0
83.04971	5.0
83.08620	16.9
83.61437	2.4
85.06549	5.6
91.05470	37.6
93.07043	61.0
94.78992	2.6
95.04983	6.2
95.08599	98.2
95.57323	3.3
97.06541	14.4
97.10141	4.4
99.08103	3.9
105.07009	31.4
107.08591	25.2
109.06517	3.2
109.10148	26.2
117.07037	6.7
119.08566	25.7
121.10130	22.9
123.08067	4.4
123.11714	6.1
131.08562	11.3
133.10097	21.4
135.11670	16.6
137.13235	5.2
139.67218	3.1
145.10092	5.1
147.11665	7.0
149.09657	3.5
149.13245	10.5
159.11679	8.9
161.13254	25.4
163.14851	5.2
173.13281	6.5
173.87469	3.0
179.14345	16.6
219.43089	2.5
224.73628	2.9
243.15894	3.7
243.21101	7.9
253.17952	23.3
253.70065	2.6
261.22134	26.3
271.19022	57.9
335.25754	75.4
337.27161	3.7
445.39853	3.2
477.64468	2.8
513.39539	6.0
531.40454	44.5
654.28455	3.6
711.43353	13.5
736.80164	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	711.467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21885	3.5
53.03939	6.7
55.05510	27.5
57.03425	15.2
67.05499	68.4
69.07059	22.2
69.84657	21.0
71.04976	8.5
79.05495	46.7
81.07049	100.0
83.08608	13.3
85.06541	5.2
91.05470	27.9
93.07034	49.7
95.04964	5.3
95.08600	90.8
97.06525	10.4
97.10165	4.3
99.08094	4.0
105.07022	32.1
107.08572	25.3
109.10136	24.5
111.08070	7.2
117.07021	5.8
119.08575	27.4
121.10139	26.5
123.08104	6.0
123.11721	4.8
131.08557	13.3
133.10075	22.4
135.02652	3.8
135.11699	15.3
137.13235	6.8
139.34045	3.6
145.10094	9.5
149.13249	12.4
159.11656	9.5
161.13235	24.4
163.14812	4.2
173.13263	5.3
179.14328	13.4
187.14940	5.5
188.95772	3.0
192.07001	3.6
204.08734	3.1
243.21109	10.7
249.01143	3.2
253.17952	25.2
260.52982	3.1
261.22122	34.2
271.19028	76.1
284.42526	3.6
335.25778	75.7
353.26663	6.1
421.39505	3.6
463.45700	3.4
513.39270	8.1
531.40411	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	711.467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09767	2.7
53.03928	2.4
54.51578	1.8
55.01849	2.2
55.05510	23.3
57.03435	15.3
57.07053	2.8
57.16553	2.2
65.03941	3.3
67.05499	72.8
69.07057	22.1
70.73245	5.6
71.04971	5.8
76.91920	1.7
79.05486	41.3
81.07053	100.0
83.04981	4.3
83.08615	16.2
85.06520	5.0
90.47489	2.3
91.05488	28.3
93.07037	46.9
95.04942	4.2
95.08603	73.9
97.06525	8.5
97.10181	6.1
99.08099	5.0
101.47570	1.8
104.72251	1.9
105.07020	23.4
107.08585	25.6
109.10142	18.6
111.08067	2.9
113.09586	2.5
117.06998	3.8
119.08565	25.1
121.10143	16.4
123.08092	2.6
123.11686	6.3
131.08540	9.1
133.10126	17.4
135.11662	16.2
137.13235	4.5
140.82024	1.9
140.99625	2.1
145.10092	6.2
147.11659	5.1
149.13278	5.9
151.14816	2.0
159.11720	6.7
161.13251	24.3
163.14784	6.5
173.13275	4.5
177.16278	2.1
179.14354	15.2
187.14850	4.9
201.16356	2.5
240.38942	2.2
243.21042	4.8
253.17982	23.7
261.22134	20.5
269.17227	2.3
271.19016	52.7
335.21997	4.3
335.25803	73.8
494.98053	2.2
513.39655	11.1
531.40375	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.01884	0.9
55.05262	1.7
55.05511	20.2
57.03433	12.5
57.07073	1.6
65.03928	1.7
67.05503	59.4
69.03427	1.3
69.06718	1.4
69.07071	19.1
70.20767	1.4
70.21171	3.4
71.04998	7.1
77.03949	0.9
79.05489	39.6
80.05813	0.9
81.03398	1.5
81.07055	77.2
83.04996	3.9
83.08615	11.2
85.06530	4.1
91.05477	25.8
91.05950	0.6
93.07043	45.7
95.04965	5.6
95.08604	73.4
97.06529	8.8
97.10163	3.4
99.08086	3.4
105.07029	19.7
107.08591	21.7
109.06496	1.9
109.10155	18.3
110.46846	0.9
111.08080	3.6
113.09647	1.4
115.07596	1.9
117.06972	3.9
117.63674	0.8
119.07791	1.5
119.08582	22.5
121.10143	18.2
123.08044	1.8
123.11718	5.2
125.09608	0.9
129.06990	0.8
131.08575	7.5
133.10126	14.9
135.11693	12.4
137.09624	1.7
137.13249	3.1
145.10112	5.6
147.11696	5.1
149.13213	6.4
159.11644	5.0
161.13255	26.4
163.14836	2.3
173.13219	4.3
175.14792	2.3
177.12772	1.3
179.14317	19.6
187.14816	1.7
189.16504	0.9
197.15388	1.1
215.17766	0.8
243.07367	0.9
243.21159	4.1
253.17986	20.2
259.20648	0.9
261.22144	13.3
269.17407	1.4
271.19019	33.9
279.23184	1.2
317.24768	2.4
317.28439	0.8
335.25778	100.0
336.26190	3.0
337.27188	1.7
353.26953	2.0
357.48279	0.8
405.26852	1.0
439.35730	3.5
457.36630	2.9
494.16751	1.0
513.39166	6.6
531.40417	35.5
532.40637	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.5
53.03933	0.9
54.74082	0.3
55.01866	0.5
55.05502	0.5
56.77887	0.3
57.03431	0.4
65.03928	1.3
67.05501	0.3
69.03409	1.6
70.06589	2.8
70.74691	0.3
71.04962	0.4
71.33373	0.5
71.33738	0.6
72.08141	0.8
73.02916	0.4
77.03930	0.6
79.05492	1.5
81.03413	4.7
81.07048	1.4
83.04990	0.3
84.04498	0.7
84.08137	1.2
85.02905	2.7
85.06569	0.4
86.09717	1.8
89.03908	0.6
90.04704	0.4
90.51879	0.3
91.05475	20.2
93.07034	0.8
93.60050	0.3
94.04171	1.5
95.04964	1.1
95.08578	0.9
97.02888	0.9
97.06531	0.5
98.09711	0.3
99.04454	0.9
103.05447	1.4
105.03370	0.5
105.07022	3.4
107.04949	1.1
107.08595	0.7
109.02867	1.4
109.06495	1.1
109.10143	0.5
115.05435	1.3
116.07076	0.4
116.98619	0.3
117.03349	0.5
117.07021	1.0
118.04168	0.6
119.04936	25.9
119.08599	1.5
120.08170	0.5
121.06506	0.7
121.10127	0.5
122.03647	3.1
127.03913	0.7
128.06215	1.0
129.03328	0.5
129.06967	1.2
129.10167	0.7
131.04922	1.1
132.02055	0.9
132.05681	1.2
133.02812	0.7
133.06470	2.1
133.10124	0.5
135.04401	0.9
136.05112	0.4
136.07538	0.4
137.05969	35.6
143.64891	0.3
144.05693	0.6
145.02827	1.6
145.06494	0.7
145.10114	0.6
146.03564	0.7
146.04587	0.4
147.04404	24.1
147.08020	1.6
149.02266	0.6
149.05946	1.1
151.03984	0.3
151.07536	0.5
155.04919	0.4
156.05598	0.4
157.03995	2.2
159.08041	1.0
160.05185	0.6
161.04640	0.4
161.05986	5.4
163.03915	0.6
163.07481	1.0
164.04691	0.9
167.07092	1.7
171.07993	0.5
172.05148	0.4
175.03903	39.8
175.07509	10.7
176.04379	0.4
177.05475	1.6
179.07042	1.9
184.05251	0.5
187.07513	2.7
189.06953	0.6
190.07759	1.0
191.08527	3.0
192.04173	0.9
193.04927	1.0
199.07513	3.2
202.07899	1.7
203.06892	0.3
203.08592	2.1
207.06517	100.0
208.06859	1.1
209.04385	1.1
218.07277	0.9
219.08060	5.2
220.08574	0.8
225.07574	0.8
231.08049	3.8
232.08749	0.6
233.11659	0.4
235.07527	0.5
236.08276	0.6
237.08865	0.4
247.07550	2.4
248.08366	1.7
251.10674	5.9
259.07538	2.3
260.08386	1.3
261.09009	0.5
262.10034	0.4
263.10657	1.9
264.07718	0.6
265.08594	0.8
276.07874	1.5
277.08588	0.9
279.10104	4.3
280.10919	0.5
281.08014	0.4
281.24695	0.6
291.10089	4.2
292.10812	0.7
293.08017	0.5
295.13242	0.4
295.23996	0.3
296.10507	0.4
299.09033	0.4
308.10165	0.8
311.12744	11.4
322.12039	0.6
323.12732	6.9
324.67776	0.4
341.13959	0.5
351.10706	7.0
369.11780	2.6
467.64542	0.3
539.52826	0.4
709.37683	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01870	0.4
55.05490	0.4
56.96576	0.3
57.03417	0.5
60.04502	0.4
65.03924	1.5
67.05500	0.9
69.03422	1.8
69.07063	0.5
70.06583	1.2
70.07680	1.0
72.08151	0.6
73.02918	0.4
74.41316	0.3
77.03911	0.5
78.04710	0.3
79.05489	1.6
81.03406	4.5
81.07047	1.1
83.04969	0.4
84.04526	0.4
84.08121	0.5
84.10223	0.3
85.02901	1.9
85.07674	0.3
86.09702	1.2
89.03909	0.8
91.05472	21.0
93.07042	0.6
94.04179	1.2
95.04964	1.2
95.08600	0.8
97.02865	0.8
97.06524	0.4
99.04436	0.6
103.05463	1.5
105.03343	0.5
105.07021	3.3
107.04935	1.0
107.08563	0.7
108.05721	0.5
109.02851	1.9
109.06517	1.1
109.10135	0.6
111.04491	0.3
111.49522	0.3
115.05447	1.6
117.03401	0.4
117.07019	1.1
118.04154	0.5
119.04932	27.2
119.08578	1.3
120.08094	0.3
121.02930	0.3
121.06538	0.4
121.10139	0.6
122.03647	2.7
123.08044	0.3
127.03912	1.0
128.06187	1.2
129.03334	0.4
129.06966	1.0
131.04932	1.1
131.08537	0.6
132.02100	1.3
132.05670	1.0
133.02826	0.6
133.06459	2.2
133.10127	0.4
135.04434	0.9
136.07474	0.3
137.05963	39.1
138.06241	0.3
141.06989	0.3
145.02837	1.2
145.06444	0.9
145.10123	0.5
146.03627	0.8
147.04393	23.2
147.08060	1.3
149.02304	1.0
149.05980	1.0
151.07495	0.5
155.04887	0.4
157.03954	1.8
159.08044	1.3
160.05127	0.8
161.05972	6.4
163.03874	0.5
163.07536	1.2
164.04663	1.0
165.09074	0.4
167.06993	1.2
171.08060	0.5
172.05203	0.3
175.03891	43.8
175.07495	10.5
177.05443	1.6
179.07021	2.9
181.04881	0.4
184.05208	0.8
187.07526	3.8
187.11180	0.3
189.09061	0.5
190.07774	1.1
191.06992	0.3
191.08543	3.4
192.04091	0.6
193.04901	1.6
199.07486	2.8
202.07806	1.8
203.08556	2.6
205.06516	0.5
207.06505	100.0
208.06850	1.3
208.08649	0.5
217.08557	0.3
218.07249	0.9
219.08049	4.7
220.08688	1.4
221.05760	0.3
223.05968	0.3
224.20103	0.3
225.07500	0.7
231.08011	3.9
232.08717	0.5
235.07600	0.4
236.08257	1.0
246.06868	0.4
247.07506	2.7
248.08319	2.0
249.08969	0.6
251.10643	5.4
258.06619	0.3
259.07486	2.2
260.08295	1.0
261.08929	0.7
263.07742	0.3
263.10577	1.7
264.07727	0.6
265.08609	0.8
275.06979	0.4
276.07733	1.3
277.08557	1.0
279.10123	4.5
280.11191	0.4
291.10095	4.7
292.10968	0.6
293.07922	0.6
295.13174	0.6
296.10504	0.7
297.11179	0.4
307.09488	0.4
308.10202	0.7
311.12772	10.1
322.11914	0.9
323.12708	7.4
325.14383	0.4
341.13699	0.6
351.10718	7.6
369.11847	2.2
567.92090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31923	0.5
71.58466	0.5
71.58853	0.6
82.99876	0.7
97.02880	0.6
101.00863	2.2
107.49660	0.6
119.01916	11.2
121.83139	0.5
127.02418	0.7
131.01888	2.7
137.01933	0.7
137.02945	2.4
139.02420	0.8
143.01877	10.0
145.03461	6.2
147.01367	1.0
155.01897	7.0
157.03484	3.5
161.02954	18.2
163.04016	0.8
167.01865	4.1
169.03452	1.9
171.05005	1.8
173.02966	15.6
175.04507	2.0
179.01895	1.9
184.04527	0.7
185.02948	33.4
187.04527	4.1
191.04008	1.6
197.02931	12.4
199.04388	0.9
203.03972	12.0
203.05681	0.7
208.04507	0.6
209.02921	1.4
215.04007	8.0
221.05045	1.3
222.00505	0.5
227.04005	6.7
239.04044	0.7
245.05060	100.0
246.05272	1.6
256.43982	0.5
257.05069	6.1
263.03354	0.7
263.06143	14.8
275.06097	10.3
286.07806	0.8
287.06247	0.5
293.07184	3.6
305.07156	10.2
317.07254	0.7
331.53778	0.5
335.08240	3.5
347.08261	0.8
365.09314	37.6
366.10056	0.7
383.10452	4.3
406.12027	0.7
407.09924	0.9
425.11417	31.9
426.12036	0.6
437.11197	2.3
455.12387	2.4
485.13809	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25780	1.1
55.01881	1.1
55.05503	2.5
67.05500	4.8
69.07069	1.2
79.05483	4.5
81.03403	3.1
81.07058	4.4
83.08605	1.1
86.72708	1.1
91.05475	3.9
93.07059	2.9
94.05305	1.0
94.62547	1.1
95.08606	3.4
98.21626	2.3
105.07029	2.4
107.08594	1.8
119.08603	1.4
121.10151	1.7
133.10130	2.2
135.11656	1.3
237.63232	1.2
248.09630	1.2
259.08801	1.2
267.13788	1.2
355.15552	1.5
555.32721	1.2
707.37598	100.0
707.48242	6.7
708.37903	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	707.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22130	1.4
55.01851	1.7
64.22103	1.5
67.05506	7.6
69.07054	2.7
79.05485	4.6
79.19678	1.8
81.03417	4.0
81.07059	10.0
83.08624	1.6
87.04434	1.9
87.97664	1.6
91.05479	5.7
93.07039	7.6
95.04952	1.6
95.08593	6.6
105.07017	5.3
107.08600	2.4
109.10139	2.5
117.06985	2.0
119.08540	2.3
121.10133	4.0
163.03900	4.0
202.62488	1.8
243.13779	1.8
267.13721	1.8
335.25961	1.9
347.78275	1.7
355.15240	5.0
429.19455	2.2
562.39343	1.8
707.37494	100.0
708.37640	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	707.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.4
56.96563	16.5
61.02907	2.0
64.23550	1.8
67.05493	6.2
69.03424	3.9
69.07054	5.1
70.06593	11.8
70.82187	3.4
79.05490	3.7
81.03393	4.4
81.07056	17.8
83.08627	1.8
84.04475	2.4
84.08133	2.3
84.96036	7.9
85.02905	5.1
86.09700	7.4
91.05490	2.9
93.07063	3.8
95.04990	2.6
95.08590	6.2
97.02901	2.7
97.06534	2.5
98.97573	56.7
102.97012	1.8
105.07020	4.5
107.05004	2.5
109.02852	2.5
109.10131	3.8
110.97564	3.6
111.04431	2.6
112.99132	8.2
116.98608	58.9
116.99432	2.9
119.08566	3.4
120.08093	2.2
120.98065	2.5
121.10115	2.8
127.03897	3.1
128.98616	10.5
131.00166	24.6
133.10136	2.5
134.99652	37.4
137.06073	2.2
140.00198	3.1
144.98111	2.6
146.99646	10.3
147.08058	2.0
149.01207	29.2
151.07516	2.3
153.00699	7.0
153.06616	1.8
155.08464	2.0
157.10135	2.4
158.01254	4.7
158.99649	28.7
159.11725	2.1
160.97647	2.7
161.01224	3.6
161.82579	2.5
162.99121	9.6
165.09154	2.0
167.02263	5.5
167.07063	3.9
170.99609	4.6
172.02905	1.9
173.01225	26.5
177.00714	65.0
180.75449	1.8
183.63873	1.8
189.00697	6.1
191.02246	34.6
191.06935	3.1
193.04929	5.6
195.01779	10.6
200.02332	4.0
201.00746	11.4
202.98631	11.3
207.06543	4.0
209.03302	2.0
214.03864	3.4
215.38025	2.0
219.01726	29.1
219.03632	2.7
220.99683	3.2
229.11050	1.8
237.02800	49.3
244.99715	10.8
255.03906	4.5
260.04523	2.6
261.02853	6.2
261.70288	1.9
263.00726	3.0
303.03958	3.4
321.04843	2.5
323.02753	3.5
355.14230	57.6
373.15323	100.0
396.16861	3.8
397.15311	84.5
399.10547	3.0
407.05072	4.5
415.16382	96.6
441.14291	92.8
441.19669	1.5
451.03958	2.2
511.05624	3.6
514.32776	2.2
555.79370	2.3
571.07739	2.7
707.34528	2.2
707.53693	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	707.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50660	0.4
55.05507	0.6
56.96286	1.0
56.96561	17.4
57.34884	0.4
67.05497	1.1
69.07069	1.2
70.06596	0.9
70.13689	2.2
71.95264	0.9
72.50217	0.4
74.97612	1.0
79.05486	1.2
79.75533	0.4
81.03402	0.5
81.07058	11.6
84.95514	0.6
84.96026	8.8
85.02898	0.6
91.05496	0.8
93.07051	1.1
95.08623	2.3
97.96809	1.9
98.97580	66.8
102.97071	1.6
109.10175	0.7
110.97555	3.9
112.99123	9.0
115.97850	1.6
116.98618	61.4
119.08553	0.6
120.98070	0.8
124.95493	0.5
128.98613	9.5
131.00169	24.4
133.10191	0.5
133.98869	1.1
134.99652	33.6
135.11737	0.5
137.05986	0.5
140.00226	2.8
140.98601	2.1
142.96533	1.2
143.00172	2.4
144.98085	2.9
146.99655	10.4
149.01218	28.1
152.98643	0.5
153.00732	4.3
154.01762	1.1
156.98073	1.4
158.01239	2.6
158.99648	34.1
160.97623	3.1
161.01208	4.9
162.99146	7.0
165.00726	1.8
167.02303	3.5
170.99628	3.7
172.02843	1.5
173.01215	27.3
174.99162	3.8
176.02359	0.6
177.00710	57.9
178.98628	1.3
179.02274	0.9
181.00212	0.8
182.99646	1.4
184.97588	1.6
185.01227	1.7
186.99144	1.6
187.02763	1.0
189.00710	5.8
191.02267	35.9
193.00241	2.2
194.27127	0.5
195.01770	7.2
198.99080	0.6
199.02751	1.3
200.02344	3.3
201.00700	9.9
202.98647	9.3
203.02208	2.2
205.00211	1.3
207.01779	1.2
209.03291	2.5
211.10144	1.2
213.00851	0.9
214.03915	2.5
215.02228	0.6
217.00211	1.9
219.01755	22.5
220.99698	3.4
223.01195	0.5
224.02292	0.5
226.98720	0.5
229.00021	0.7
229.11118	1.4
231.01784	2.0
233.03296	2.0
235.01274	1.7
235.10069	0.9
237.02815	34.4
241.00237	0.6
242.03314	1.6
243.01787	1.4
244.99683	11.5
247.01311	0.7
249.02869	0.7
253.02322	4.3
253.11044	6.1
255.03830	3.5
259.01218	1.2
260.04309	1.6
261.02771	5.6
263.00763	5.5
265.11087	0.9
268.01501	0.6
268.99701	0.5
271.03308	0.7
271.12180	1.0
273.02756	0.8
275.04340	0.9
277.02301	1.8
279.03848	2.0
286.02609	0.6
287.00769	1.6
295.03345	1.1
295.12140	2.1
303.03757	2.5
305.01801	3.5
307.12106	0.7
321.04959	0.8
323.02881	5.2
329.01849	2.4
346.04242	0.8
347.03061	2.2
355.14249	37.9
356.14319	0.6
363.06369	0.6
363.10977	1.1
365.03888	1.3
373.15356	40.5
381.12299	0.5
389.03824	1.9
396.17053	2.8
397.15329	100.0
398.15784	1.4
407.04999	2.9
415.16370	28.5
433.02963	1.8
441.14310	46.2
451.03879	2.0
459.14630	0.6
467.07050	1.1
504.75931	0.5
511.06168	2.7
571.08130	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1844
Annotation	Diinsinin
Peak:m/z	Relative Intensity
66.42957	0.5
69.37631	1.6
69.38052	3.9
85.02874	0.9
94.93002	0.7
101.75190	0.6
116.26443	0.7
146.07260	0.6
173.02902	0.7
191.03986	1.4
200.04509	1.2
212.85242	1.5
219.01852	1.0
245.05220	1.2
269.05887	1.0
273.00662	0.7
281.07080	1.8
281.57318	2.0
345.02789	0.7
362.09769	0.9
362.90076	0.7
363.06989	4.0
381.07782	5.2
445.13205	1.3
525.11938	3.1
543.13202	30.8
685.50592	0.7
705.18457	100.0
706.18860	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.0
53.03944	7.5
54.04586	0.8
55.01873	3.1
55.05511	21.7
57.03434	5.2
57.07078	3.8
59.05003	1.5
61.02933	0.7
65.03941	5.4
67.05503	85.4
68.05832	0.9
69.03428	23.4
69.07068	18.7
69.26871	9.0
71.01363	1.3
71.04992	61.7
71.08591	0.8
71.17818	0.7
73.02911	1.2
73.46377	1.0
77.03921	1.2
79.05492	61.9
81.03416	50.2
81.07055	100.0
83.04984	12.8
83.08611	9.2
85.02906	6.1
85.06537	7.1
87.04477	1.7
89.06017	3.8
91.05479	66.4
93.07041	59.8
95.04966	14.8
95.08603	36.6
97.02895	12.6
97.06526	9.7
97.10178	2.5
98.21497	1.8
99.04448	5.7
99.08086	3.8
101.02381	1.3
103.05516	1.9
105.04536	2.1
105.07026	44.9
106.07365	1.1
107.04975	3.7
107.08592	33.1
109.02880	10.8
109.06540	5.1
109.07135	0.7
109.10152	14.2
111.04449	6.6
111.08067	4.3
113.02449	0.8
113.05993	1.9
116.06236	1.5
117.07028	13.7
119.08583	15.0
121.06522	2.6
121.10137	20.9
123.08080	2.4
123.11702	13.4
125.09618	1.5
127.03913	9.2
128.06181	0.8
129.05516	2.9
129.06982	4.6
131.04974	1.1
131.08572	18.3
133.06523	1.3
133.08615	1.7
133.10126	29.3
135.04443	0.9
135.08060	1.7
135.11691	14.5
137.06001	1.7
142.07753	1.0
143.08551	2.9
145.06490	1.1
145.10139	7.9
147.08113	1.8
147.11670	9.8
149.09607	2.6
149.13251	15.1
151.11183	11.5
153.05547	1.0
153.12738	1.1
155.08577	1.6
157.10124	4.4
159.08040	1.7
159.11694	15.7
161.09657	1.6
161.13286	4.9
163.14861	1.5
165.12788	1.8
167.08577	1.4
169.10118	1.0
169.12247	1.4
171.06535	1.3
171.11736	2.8
173.04468	14.6
173.13225	3.6
175.11261	2.9
175.14838	2.2
176.84492	1.0
177.12749	8.3
181.10170	1.5
183.11830	1.4
183.13855	7.9
185.09599	0.8
185.13344	1.5
187.13297	14.9
187.14828	2.1
189.12729	0.8
193.12306	2.1
195.12067	1.2
195.13824	7.2
197.13339	1.5
199.14864	1.3
201.13029	1.5
201.14867	3.7
201.16475	1.2
203.14359	0.8
209.13437	1.1
213.12946	1.0
213.14911	2.8
225.12799	0.9
241.18001	1.2
243.15938	1.0
243.21143	1.9
257.17474	5.0
259.20758	1.0
261.22150	5.9
267.15881	1.1
269.17615	2.7
277.14383	1.4
277.21768	1.1
283.18909	1.1
299.18704	0.9
301.21603	1.4
317.24826	2.2
321.16968	2.4
327.18082	0.9
335.25839	6.2
339.17932	7.6
341.24860	1.0
349.27325	6.0
351.23288	1.5
369.24191	3.9
371.20746	1.4
376.39020	0.8
377.19684	0.8
387.25476	2.3
395.20645	2.6
425.26691	1.3
427.23489	4.3
440.21246	0.9
443.28091	2.4
461.29065	2.4
501.39618	1.4
503.37149	4.4
517.38647	9.1
528.29993	0.8
529.23035	0.9
529.38727	2.7
530.39899	0.9
558.00604	0.9
561.41663	5.3
627.42126	1.3
629.39893	1.2
637.41357	1.1
655.41388	1.3
673.43005	5.3
687.44232	1.3
705.45685	58.6
706.46198	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.05510	3.0
57.03439	0.6
57.07076	23.9
59.04987	1.0
67.05500	3.1
69.03425	1.3
69.07068	2.7
69.58759	2.8
71.04989	0.6
71.08630	24.2
73.02909	1.3
73.06554	9.5
77.82586	0.3
79.05479	2.5
81.03423	1.3
81.07057	3.1
83.04984	0.5
83.08618	4.1
85.02888	0.6
85.10181	23.6
87.03916	0.4
87.04464	12.4
89.06030	100.0
90.06348	0.4
91.05476	2.3
91.07608	0.9
93.07064	2.1
95.01303	0.4
95.05000	0.6
95.08619	2.4
97.02894	0.6
97.10158	1.3
98.20772	0.5
99.11748	2.8
105.07024	1.7
107.04994	0.5
107.07068	6.8
107.08601	1.5
109.10153	1.0
111.04475	0.8
114.09178	0.7
117.06991	0.6
117.09132	9.6
119.08584	1.3
121.10141	1.5
125.09629	0.4
129.07034	0.7
130.08643	2.8
131.07056	3.0
131.08606	1.3
132.08974	0.4
133.08601	50.6
134.47760	0.3
135.10172	1.1
135.11684	0.8
141.16383	4.8
142.07831	0.3
143.08501	0.6
145.10112	1.5
147.11696	0.9
155.08496	0.4
157.10194	0.6
157.71275	0.3
159.11644	0.8
161.11734	3.0
163.11179	0.4
168.13867	0.9
171.11731	0.7
175.09714	1.7
177.11221	20.5
185.18997	6.0
197.13374	0.4
202.15819	0.5
219.12151	0.7
221.13782	2.9
223.15318	0.4
226.21681	1.2
229.21619	9.3
229.23782	0.6
239.14867	1.1
262.22531	0.4
265.16391	0.6
269.90225	0.3
273.24310	6.1
281.47742	0.3
283.17587	1.5
300.13620	0.7
309.18796	0.5
327.20007	0.9
353.21906	0.4
371.22299	0.6
485.29471	0.5
492.90601	0.4
498.41852	0.5
528.37250	0.7
529.38281	0.5
543.36432	0.8
547.32941	0.8
686.39447	0.7
687.49524	2.8
704.41125	0.5
704.51062	2.5
705.41461	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01874	4.9
55.05511	40.1
57.03440	11.6
57.07072	3.3
61.02927	2.9
65.03926	1.5
67.05504	40.1
69.03421	4.1
69.07072	10.3
71.04980	1.3
71.60222	1.6
79.05494	31.8
79.05962	1.7
81.07059	40.5
83.04970	3.7
83.08619	26.2
85.02917	3.6
85.06530	2.4
85.10194	1.3
87.04449	1.3
91.05470	12.3
93.07049	23.3
95.04990	2.6
95.08602	23.6
97.02879	1.2
97.06518	1.2
97.10171	54.1
105.07043	7.7
107.08594	27.8
109.06509	1.4
109.10149	14.7
111.08105	2.9
112.69769	1.3
117.07021	4.6
118.77163	1.1
119.08584	6.4
119.09338	1.1
121.10149	11.1
123.11714	4.8
125.09634	48.6
129.07062	1.5
131.08577	5.7
133.10117	4.6
135.08029	6.0
135.11694	8.1
137.13289	1.7
143.10696	4.6
145.10176	3.5
147.11652	3.5
149.13271	5.8
153.09132	3.9
157.10141	1.3
159.11688	4.4
161.13351	3.0
163.14871	3.8
171.10172	2.0
173.13213	2.9
175.14754	1.4
177.16452	2.0
187.14835	2.7
189.11214	40.7
227.12782	69.4
227.20085	5.0
243.21117	5.2
245.13850	100.0
261.22137	23.9
279.23230	2.6
290.21860	1.2
317.24707	4.5
335.25812	66.7
353.26675	1.4
413.30231	2.3
431.31931	1.8
471.04019	1.3
487.34088	7.5
505.35220	38.6
523.36206	3.0
642.26508	1.8
649.60645	1.6
663.09332	1.4
670.26154	2.3
702.28290	2.2
702.49329	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	702.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.4
57.07071	56.0
59.55967	0.7
69.07063	8.8
69.40025	5.8
70.39780	0.7
71.08626	50.8
73.02898	1.1
73.06555	8.6
82.68182	0.7
83.08609	3.2
85.09643	0.9
85.10175	35.1
87.04459	10.7
89.06023	100.0
93.77143	0.7
96.03702	0.7
97.10155	3.9
99.11709	7.3
107.07059	5.8
111.11718	4.5
113.13290	5.9
117.09123	10.0
125.13293	3.4
127.14817	2.7
130.08632	3.5
131.07042	4.5
133.08592	63.0
135.10167	1.6
136.44482	0.7
161.11729	2.4
164.25938	0.8
175.09660	2.9
177.11208	25.9
221.13850	6.2
227.19974	1.3
227.23689	0.8
239.14842	2.0
271.26263	3.4
283.17566	2.6
315.29010	4.4
324.42828	0.8
327.20023	1.8
339.49066	0.8
404.96286	0.8
428.45105	0.9
459.27573	0.9
460.08994	0.9
503.30444	2.4
640.23749	0.9
685.50751	4.7
702.51392	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01884	0.9
55.05505	1.4
56.70158	0.8
58.73312	0.9
60.41998	0.9
65.03944	2.9
67.05505	1.4
69.03440	5.0
69.07079	1.1
70.06585	8.1
70.84036	2.0
70.84372	1.9
71.04999	1.4
72.08157	2.1
73.79725	0.9
79.05503	1.5
81.03410	2.9
81.07050	1.8
82.06595	1.3
84.04496	4.1
84.08139	5.1
85.02891	7.3
86.09701	3.4
91.05495	2.6
93.07027	2.2
94.06578	2.6
95.04971	2.2
95.07338	1.7
96.08131	2.8
97.02881	3.4
98.06075	1.1
99.04472	1.4
100.03960	1.1
102.05547	1.2
103.05409	1.3
103.22112	0.9
105.07032	3.2
107.04951	1.2
107.08585	1.6
108.08156	5.2
109.02836	1.6
109.06528	1.0
110.09650	6.4
114.31031	0.8
116.04980	2.8
119.08590	5.7
120.04447	3.8
120.08110	7.7
120.96773	1.0
122.06007	4.7
122.09702	1.2
124.07593	1.3
127.03969	1.8
129.10236	2.3
133.10100	2.3
136.07564	8.3
137.06017	1.6
137.07901	1.1
138.09138	8.5
144.04457	5.6
145.02914	1.1
146.04510	1.3
146.06047	2.0
147.04414	2.2
148.03925	38.5
148.07584	2.9
151.03789	1.0
154.08621	1.3
162.05499	5.1
163.03886	2.4
166.04996	21.4
166.08618	21.1
166.09908	1.4
167.07056	1.5
172.03928	50.4
174.05556	1.6
175.14833	7.6
176.15117	2.2
177.05429	1.3
178.08566	1.1
190.04970	10.3
204.06557	100.0
222.07576	1.2
222.45468	0.9
237.02885	1.3
255.11267	8.7
273.12320	9.6
283.10782	10.8
301.11819	37.3
303.05017	1.5
304.05246	1.2
304.13132	1.1
319.12946	3.9
325.11826	2.6
329.14886	3.1
334.09116	1.8
339.13559	1.7
343.12885	40.1
357.14441	41.6
375.15494	9.8
463.15259	1.2
468.05344	1.1
469.15738	1.2
472.07053	0.9
487.17032	3.9
519.19812	2.5
539.46460	1.1
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
52.97804	0.4
67.05489	0.5
71.57419	0.7
78.93745	0.5
120.81422	0.4
185.04091	0.6
194.78389	0.5
222.84840	0.5
228.70526	0.5
347.09653	1.4
409.09741	0.5
508.11896	0.7
539.31879	18.7
701.37146	100.0
702.37238	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83254	0.5
53.03932	0.8
55.01860	1.9
55.05509	18.4
57.03432	5.1
57.06820	0.8
57.07072	10.2
59.04985	0.7
61.02918	1.2
65.03917	0.7
67.05502	23.3
69.03411	2.1
69.07063	5.3
71.04963	0.7
71.08630	4.0
71.60529	0.7
73.02901	1.7
73.06544	0.8
79.05052	1.0
79.05486	13.6
81.07050	18.3
82.99081	0.5
83.04976	1.7
83.08138	0.9
83.08614	14.2
84.08945	0.7
85.02908	1.7
85.06520	1.2
85.10168	3.0
87.04464	2.5
89.06025	17.6
91.05479	5.5
93.07040	11.9
95.04953	1.2
95.08602	14.7
97.02895	0.9
97.06498	0.8
97.10165	24.9
105.07035	3.6
107.07052	1.2
107.08587	13.2
109.06538	0.6
109.10152	8.6
110.04718	0.5
111.08083	0.8
112.12635	0.5
117.07001	2.1
117.09144	0.7
119.08609	2.4
121.10133	4.7
123.08092	0.6
123.11697	2.0
125.09617	24.0
131.08536	2.8
132.38860	0.5
133.08595	10.6
133.10071	2.6
135.08061	2.9
135.11702	4.2
137.13226	0.7
143.10645	1.3
145.10121	1.7
147.11674	2.5
149.13252	2.1
153.09085	1.5
159.11687	1.5
161.13235	1.6
163.14801	1.9
171.10110	1.1
173.13226	1.8
177.11200	3.2
179.93175	0.4
187.14801	0.9
189.09895	0.4
189.11214	18.0
227.12764	31.3
227.20039	100.0
228.13173	0.6
243.21092	2.4
245.13826	40.7
246.50102	0.5
261.22171	10.5
271.22668	1.9
279.23178	1.1
317.24673	1.7
335.25778	39.0
336.26062	0.8
442.23407	0.5
487.34479	2.6
488.76266	0.5
505.35184	29.6
517.70752	0.6
523.35980	1.5
685.46924	0.6
702.49548	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
55.05262	1.9
55.05508	22.0
57.03439	6.4
57.07070	12.5
59.23416	1.2
61.02921	25.2
61.83675	1.1
67.05500	27.2
69.03411	4.2
69.07064	33.4
71.04986	1.6
71.08643	9.2
73.02917	8.5
75.04467	2.2
79.05483	11.3
79.22805	1.3
81.07050	36.7
83.08136	2.1
83.08615	33.6
85.02901	26.7
85.06510	1.7
85.10169	4.2
85.54561	1.1
89.46722	1.2
91.03941	21.7
91.05483	2.2
93.07033	18.6
95.08602	38.1
97.02880	12.0
97.06525	5.6
97.10162	19.5
99.04444	1.7
102.52313	1.2
106.87967	1.2
107.08585	13.8
109.02946	1.3
109.10149	18.6
111.08083	6.5
111.11691	6.9
115.03986	1.6
121.10143	30.4
123.11702	8.4
125.09663	2.9
125.13242	2.8
127.03922	9.1
129.09158	1.8
135.11685	24.7
137.13234	3.3
137.18350	1.3
139.11194	3.0
141.12613	1.1
143.10661	1.5
145.04944	12.1
149.13264	9.6
151.14789	3.2
153.12715	2.1
163.06023	16.7
163.14796	4.9
164.81061	1.3
165.16377	4.1
177.16437	3.9
185.15317	1.5
191.17970	2.6
195.17445	1.6
199.41867	1.4
213.18533	1.5
247.24205	37.3
265.25259	91.6
266.25534	1.8
274.18161	1.4
283.26312	20.7
339.28922	100.0
340.29315	2.0
357.29950	54.3
501.34058	3.5
542.44995	1.4
588.24274	1.5
654.43524	2.4
698.45630	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	697.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
55.01855	0.2
57.03414	0.3
61.02926	0.5
65.11302	0.1
68.99771	0.5
69.03426	4.3
70.06581	0.3
70.60221	0.3
71.04985	0.3
73.02912	0.6
81.03418	2.6
82.06551	0.1
84.08143	0.2
85.02901	3.3
86.09721	0.1
87.00825	2.8
87.04489	0.1
91.03956	0.4
97.02879	2.3
99.00813	0.1
99.04460	0.7
105.01865	1.4
105.03376	0.2
107.04965	0.2
109.02881	1.5
111.00790	0.6
115.03926	0.2
117.01851	0.8
121.02859	1.9
127.03914	2.9
133.02843	0.5
134.96796	0.1
137.02335	0.5
145.04942	0.8
145.06477	0.2
147.04379	0.4
151.03938	0.1
153.01823	2.8
157.06477	0.1
159.02884	2.7
162.90108	0.1
163.03915	0.1
165.01830	1.3
169.06494	0.1
171.02855	0.2
171.04358	0.1
174.62192	0.1
175.03883	0.1
183.02927	0.6
185.05963	0.4
189.03944	0.1
189.05455	0.1
197.06033	0.2
208.41301	0.1
213.03841	0.1
213.05493	1.1
219.02037	0.1
231.04820	1.9
241.04892	0.7
243.06432	0.1
258.05289	0.9
259.05960	0.4
269.04370	0.2
287.05481	100.0
288.05780	0.8
303.05017	0.1
329.06601	0.2
353.06323	0.2
359.97693	0.1
449.10782	9.4
450.11230	0.1
516.66949	0.1
517.09442	0.1
664.30823	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	696.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	14.2
55.67981	1.5
56.96560	1.6
57.03443	6.9
57.07064	8.8
61.02636	2.1
61.02925	26.4
65.03930	1.8
67.05504	64.6
69.03426	5.3
69.06712	2.0
69.07068	22.7
70.04108	7.2
71.08624	5.4
73.02914	11.5
78.15571	1.5
79.05488	20.0
81.03422	2.2
81.07056	81.8
82.07391	1.4
83.08614	18.1
85.02901	35.5
85.06530	2.7
85.10181	1.9
91.03955	24.6
91.05469	13.0
93.07043	25.4
95.08604	69.0
97.02893	17.1
97.06531	5.9
97.10156	11.2
99.04443	1.6
99.08081	3.7
105.07031	8.8
107.08584	19.6
109.02856	2.2
109.09447	2.7
109.10158	35.7
111.08102	3.9
111.11680	3.3
113.09609	2.5
115.03958	1.9
116.98609	2.0
119.08570	11.3
121.10141	22.1
123.08046	1.4
123.11704	18.3
125.09654	1.4
125.13252	1.7
127.03915	11.2
127.11182	2.2
131.00137	1.7
132.08928	1.5
133.10132	15.7
135.11716	11.8
137.13220	7.9
139.11153	1.8
141.12717	3.8
142.11110	1.3
145.04948	14.2
147.11710	8.8
149.01291	2.0
149.13239	9.2
151.11229	1.5
151.14803	5.8
155.14326	3.4
156.03583	2.8
161.13261	14.6
163.06020	22.9
163.14751	8.9
165.16389	10.5
166.45920	1.5
167.14375	1.5
167.54373	2.5
175.14851	12.5
177.00798	1.9
177.16452	2.8
179.17894	7.2
181.15846	1.5
189.16376	6.3
193.15858	1.8
217.19388	1.7
245.22644	69.0
261.22052	2.4
262.22424	2.8
263.23700	100.0
265.25232	2.2
281.24713	3.3
336.25964	1.9
337.27338	51.9
354.27167	2.0
355.28317	11.6
358.16367	18.3
358.66678	3.8
359.17004	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
55.01855	0.2
57.03414	0.3
61.02926	0.5
65.11302	0.1
68.99771	0.5
69.03426	4.3
70.06581	0.3
70.60221	0.3
71.04985	0.3
73.02912	0.6
81.03418	2.6
82.06551	0.1
84.08143	0.2
85.02901	3.3
86.09721	0.1
87.00825	2.8
87.04489	0.1
91.03956	0.4
97.02879	2.3
99.00813	0.1
99.04460	0.7
105.01865	1.4
105.03376	0.2
107.04965	0.2
109.02881	1.5
111.00790	0.6
115.03926	0.2
117.01851	0.8
121.02859	1.9
127.03914	2.9
133.02843	0.5
134.96796	0.1
137.02335	0.5
145.04942	0.8
145.06477	0.2
147.04379	0.4
151.03938	0.1
153.01823	2.8
157.06477	0.1
159.02884	2.7
162.90108	0.1
163.03915	0.1
165.01830	1.3
169.06494	0.1
171.02855	0.2
171.04358	0.1
174.62192	0.1
175.03883	0.1
183.02927	0.6
185.05963	0.4
189.03944	0.1
189.05455	0.1
197.06033	0.2
208.41301	0.1
213.03841	0.1
213.05493	1.1
219.02037	0.1
231.04820	1.9
241.04892	0.7
243.06432	0.1
258.05289	0.9
259.05960	0.4
269.04370	0.2
287.05481	100.0
288.05780	0.8
303.05017	0.1
329.06601	0.2
353.06323	0.2
359.97693	0.1
449.10782	9.4
450.11230	0.1
516.66949	0.1
517.09442	0.1
664.30823	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	696.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02990	0.6
61.72684	0.6
65.39289	0.5
67.05559	1.3
69.03190	0.6
69.03521	2.2
69.07134	1.4
70.06670	2.8
71.05072	0.5
71.59399	0.7
76.02372	0.6
79.05578	2.0
81.03510	2.9
81.07146	2.8
82.06682	0.6
84.08240	1.7
85.02518	1.0
85.03008	2.4
86.09775	1.1
91.05596	1.9
93.05869	1.1
93.07152	2.3
94.06680	2.4
95.05046	0.6
95.08707	1.6
96.08256	2.1
97.03002	0.9
97.06622	0.7
99.04560	0.7
103.05563	0.7
105.07092	1.3
106.06626	0.6
107.07437	1.0
107.08690	1.2
108.04592	0.7
108.08116	6.1
109.02971	1.2
109.10204	0.7
110.09798	2.3
111.96770	0.5
118.06606	0.6
119.08678	1.0
120.04531	1.1
120.08085	5.2
122.02894	1.5
122.06020	3.2
122.09838	1.7
123.11757	0.7
124.07726	1.1
127.03982	1.2
129.10350	0.7
132.08180	1.1
134.06084	0.6
135.11726	0.6
136.07568	8.6
137.06102	0.7
138.09138	4.1
146.06181	1.0
147.11668	0.6
148.06601	1.0
148.07536	3.6
150.09325	2.8
152.07263	0.5
154.46571	0.5
161.13499	0.7
164.07213	1.6
164.10878	0.6
172.03961	0.6
180.10309	1.3
199.08881	0.7
207.06836	0.7
209.11040	1.1
210.11623	0.7
211.12509	1.0
212.09576	1.1
223.08855	1.0
223.12283	0.8
224.09584	0.8
225.10234	4.6
226.11142	1.2
227.11960	2.1
231.75060	0.5
235.08907	1.7
235.12291	0.6
236.09521	1.1
237.10204	7.3
238.11261	2.1
239.08389	1.6
239.09537	0.9
239.11739	6.4
240.12662	1.0
241.13533	1.1
246.67935	0.6
247.12494	0.6
248.09430	1.2
249.10162	6.0
250.11212	2.5
251.08369	1.9
251.11749	5.3
252.09132	1.2
252.12814	2.1
253.09653	4.3
253.13646	2.1
254.10629	0.7
255.11522	1.7
261.10406	1.5
262.11121	1.5
263.08438	1.3
263.11835	3.2
264.09183	1.8
264.12958	0.8
265.09723	8.8
265.13528	1.1
266.10699	2.4
267.11261	12.2
269.09567	0.6
269.13141	2.0
276.09204	1.1
277.09686	3.0
278.10413	2.8
279.07886	2.2
279.11508	10.2
280.12009	3.3
281.09677	1.5
281.13101	7.2
282.10132	0.7
283.10999	1.3
285.12531	1.4
287.14090	1.2
289.09863	2.4
291.11493	2.4
292.08896	0.6
293.09488	2.7
293.13058	6.6
293.15652	0.6
294.10178	1.7
294.13599	1.1
295.10995	2.7
295.14658	2.0
296.08746	0.6
296.11926	1.6
297.12296	2.9
299.10663	0.6
299.14111	0.7
300.11526	0.9
302.13541	0.8
307.10800	3.1
308.11664	1.2
309.12280	5.1
311.10611	1.0
311.14099	1.9
312.11368	0.7
313.11969	1.2
314.12869	1.3
315.13638	1.3
317.09241	0.7
319.11026	1.7
321.12540	2.1
323.14087	1.5
324.11154	0.9
325.11859	3.1
326.12875	2.0
327.13358	2.8
328.14478	1.3
330.16104	0.7
335.10455	0.7
337.12073	2.0
339.13437	7.3
340.14340	0.6
341.14929	8.4
342.12503	0.9
342.16183	0.9
343.16934	0.7
344.17810	0.7
349.12137	0.8
353.11429	1.1
353.15414	0.8
354.16360	0.8
355.13208	1.5
356.13977	1.2
357.14664	0.8
358.15515	0.9
367.13138	2.4
368.14014	0.9
369.14658	0.9
370.15604	1.2
372.17319	1.0
379.13141	0.7
381.14481	3.6
382.15506	0.6
383.16269	1.0
384.12909	0.8
386.14563	0.8
386.18964	0.9
390.18698	0.7
391.13174	0.6
395.16229	0.9
397.14151	0.6
399.15851	1.2
400.16589	0.7
409.14212	2.1
411.15637	2.6
415.15253	0.7
427.15305	1.1
428.15985	0.8
430.17569	1.2
430.29901	1.0
432.19067	1.2
433.14053	0.9
439.15045	1.2
441.16513	6.4
442.17981	0.9
451.15167	1.6
452.16470	0.7
458.17142	1.5
460.18622	1.3
461.19424	0.7
465.16769	0.8
469.16272	2.3
470.17584	1.0
471.17468	0.8
476.21704	0.9
479.14783	2.1
481.16119	1.2
483.17783	1.2
499.17090	1.5
501.18777	6.8
511.17456	1.7
529.18512	1.5
530.19275	0.7
576.23480	1.2
578.20874	0.7
580.23676	0.7
586.22137	1.5
604.22650	3.6
608.26251	0.7
621.23560	1.8
623.25031	1.9
632.22339	3.4
636.25470	18.0
637.25403	0.8
664.24951	100.0
665.25226	3.8
682.25690	3.0
696.27478	51.9
697.28143	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47588	5.2
52.77635	5.4
54.36184	6.0
55.05498	25.0
57.03433	11.6
60.98127	6.1
64.20934	5.3
66.01625	6.0
67.05495	100.0
69.07066	18.1
71.04992	15.8
76.34462	6.8
79.05482	60.8
81.07053	79.8
83.04951	7.5
83.08608	10.3
91.05470	43.8
93.07040	63.0
95.04956	7.4
95.08611	52.6
97.06510	7.3
97.10194	7.5
98.20711	13.5
105.07033	35.8
107.08588	34.5
109.10152	39.3
111.08072	7.7
113.09631	5.9
117.06979	12.1
119.08572	21.8
121.10151	30.9
123.11693	5.9
125.09599	6.8
129.07033	7.5
131.08589	20.5
133.10103	18.1
135.11646	9.6
145.10130	6.5
147.11617	12.0
149.13216	12.6
156.07979	5.9
157.90089	6.5
159.11665	10.3
173.13234	9.6
180.11282	5.6
227.12775	10.8
229.14281	28.2
229.97374	6.4
261.22055	6.4
269.17401	8.4
275.20053	14.7
335.25787	66.5
349.23740	13.9
442.71423	6.4
449.02356	6.8
489.35718	17.4
529.38800	97.5
569.41937	61.3
609.44586	14.0
613.43225	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	695.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13049	0.2
53.03876	0.4
55.05453	0.2
56.96482	10.3
56.96796	1.7
57.06995	1.0
62.37835	0.2
64.39400	0.2
67.05435	0.6
69.03358	0.3
69.07014	0.5
69.47446	0.6
69.47862	1.5
70.06517	0.6
71.95161	0.9
71.95525	0.5
72.95977	0.4
74.97545	0.5
79.05398	1.4
79.05863	0.5
81.06958	4.4
84.95956	0.5
85.02830	0.5
91.05385	0.7
92.98588	0.3
93.06964	0.4
95.04896	0.3
95.08496	1.0
97.02825	0.4
97.96730	0.6
98.97501	0.6
105.06941	0.3
107.04861	0.3
107.08510	0.4
109.02806	0.4
109.10073	0.5
110.97539	0.7
115.97742	0.3
116.05204	0.7
116.98521	0.7
119.08557	0.3
126.10705	0.2
127.03843	0.6
128.98495	1.1
129.99275	0.3
131.08443	0.2
133.01595	0.3
133.98747	0.4
134.99635	0.5
137.02646	0.4
137.05862	0.7
146.99634	1.8
147.03169	0.6
147.04204	0.4
149.01118	0.4
151.07495	0.4
155.03711	0.5
159.03207	0.5
160.00325	0.4
161.01122	0.7
161.04691	0.4
163.02643	0.3
163.03867	0.3
165.00612	0.7
169.05347	0.3
171.03198	0.9
172.11418	0.8
173.01155	0.5
173.04694	0.6
173.11797	0.4
175.02652	0.3
179.02080	0.3
181.05246	0.4
183.03178	0.3
185.01253	0.2
185.04768	1.3
187.02698	0.6
187.06267	0.6
189.04346	1.3
191.05814	0.5
193.04919	0.9
195.06850	0.8
197.04671	0.3
199.02658	0.4
199.06352	2.1
201.04193	0.5
201.07774	0.3
203.05902	1.7
205.07408	1.1
207.06795	0.4
209.04811	0.4
211.06296	0.7
213.06128	0.4
213.07974	5.5
215.05681	0.3
215.09468	0.3
216.06638	0.3
217.03947	0.5
217.07410	4.0
221.08586	0.6
223.02654	0.9
223.06471	0.5
223.08260	1.4
225.07965	3.1
225.11411	0.4
226.04987	0.3
227.05739	0.5
227.09448	0.3
229.07451	3.9
231.09018	10.8
232.09598	0.3
236.09373	0.3
237.04250	0.8
237.07924	1.5
239.09494	2.8
241.03816	0.4
241.07349	0.4
241.11101	3.8
242.08192	0.5
243.09068	3.6
245.06778	0.4
245.10518	0.7
247.08557	3.0
249.07849	0.4
251.05736	0.3
251.06862	0.3
251.09503	4.3
252.06728	0.3
252.09175	0.3
253.11058	1.0
255.05739	0.3
255.09006	6.7
257.06763	0.3
257.10617	2.9
259.12158	5.9
260.09143	0.4
261.07706	0.3
261.10144	1.1
262.08749	0.6
264.12808	0.3
267.08954	0.7
269.10583	28.2
270.10861	0.7
271.12100	0.7
273.07214	0.4
273.10068	5.6
275.11539	0.4
278.10593	0.4
279.09003	2.2
280.09753	1.9
282.13715	0.4
285.10046	0.6
287.11633	15.6
292.12177	2.1
292.59744	0.3
295.15585	0.3
297.10074	3.4
298.10733	1.8
307.15878	0.5
310.13089	1.0
313.14682	0.7
315.11172	1.6
315.18842	0.3
316.11816	0.7
325.16718	0.3
331.15747	9.2
337.16895	0.4
349.16837	18.0
367.17886	100.0
368.18460	1.8
372.18478	1.5
385.18945	23.7
386.19113	0.3
390.19574	0.5
408.15125	0.5
408.20523	9.0
409.21109	0.5
465.50720	0.2
677.40405	0.3
695.40521	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	693.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.3
55.01861	5.1
55.05514	31.6
55.36749	1.3
57.03436	15.2
57.07059	2.4
61.02912	7.6
63.19021	1.5
65.03933	4.9
67.05506	78.0
69.03432	22.0
69.07068	24.0
69.33836	10.0
69.34261	4.3
71.01370	3.0
71.04994	12.3
73.02909	4.1
77.03954	1.8
79.05495	69.6
81.02977	2.0
81.03424	26.5
81.07060	100.0
82.07381	1.7
83.04979	10.4
83.08623	14.7
85.02911	27.5
85.06556	6.9
87.04478	2.4
91.03970	2.6
91.04892	2.1
91.05481	51.9
93.07048	64.3
95.04964	15.1
95.08608	93.8
97.02882	18.8
97.06541	12.1
97.10166	6.2
98.20766	3.3
99.04447	7.9
99.08098	5.5
101.02386	3.1
103.03951	2.9
103.05444	1.6
103.14275	1.6
105.04533	1.8
105.07033	39.5
107.05010	2.4
107.08599	28.3
109.02850	9.5
109.06518	5.2
109.10162	22.3
111.04450	4.0
111.08096	3.9
113.09698	1.6
115.01499	1.3
115.03902	2.7
116.83414	1.6
117.07014	9.1
119.08582	38.0
121.06551	1.4
121.10146	27.7
123.08086	6.5
123.11722	5.0
125.06065	1.3
126.88025	1.6
127.03922	17.6
128.06241	1.7
129.05486	5.4
129.07042	4.4
131.08565	13.2
133.06467	2.0
133.10135	21.8
135.08063	3.9
135.11711	19.0
137.09618	3.4
137.13278	6.1
143.08594	2.3
145.04959	6.1
145.06427	1.5
145.10091	11.2
147.11685	8.1
149.09673	1.8
149.13300	7.4
151.11252	1.9
157.10161	3.9
159.11673	10.9
161.09702	1.9
161.13255	28.6
163.14798	3.2
169.10133	1.8
171.11729	3.8
173.13254	6.5
177.12747	1.6
177.73380	1.5
179.14319	19.9
183.06546	2.9
183.11809	1.5
185.13280	2.9
187.14865	2.9
189.12630	1.8
197.15282	2.2
201.07565	5.0
233.15524	1.6
243.21082	4.0
253.17995	20.3
259.20572	2.0
261.22165	13.4
271.19037	11.0
273.22162	1.6
277.21475	1.5
287.16302	1.8
305.17596	2.4
311.18073	1.9
323.18576	2.9
325.20175	2.5
335.25797	30.2
351.23288	1.8
369.24350	2.5
379.20981	2.4
415.23315	3.4
443.27762	2.6
461.29178	2.0
479.30084	6.4
483.91098	1.5
513.39258	4.3
531.40442	19.0
693.46466	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	694.4
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59666	1.3
53.03944	2.0
55.05510	11.4
55.05754	1.6
57.03442	7.1
57.07077	3.4
61.02924	28.7
65.03941	2.5
67.05504	65.3
69.03433	3.2
69.07069	12.8
69.62838	9.7
71.04990	3.3
73.02916	10.6
75.04471	1.9
79.05492	37.3
81.03405	2.9
81.07056	74.6
83.04966	1.3
83.08631	7.2
85.02900	36.7
85.06542	3.8
91.03951	29.5
91.05468	18.6
93.07040	49.2
95.04990	2.5
95.08604	65.2
97.02886	16.3
97.06537	2.8
97.10175	3.9
98.21473	1.5
99.04442	2.1
99.08105	3.0
100.08940	1.1
105.07023	14.4
105.07675	1.7
107.08589	39.7
109.06522	1.3
109.10151	35.6
111.08115	2.1
111.11723	1.7
113.09684	1.9
115.03932	3.0
117.07017	10.0
117.76060	1.1
119.08588	14.2
121.09298	2.7
121.10142	36.4
123.08022	2.1
123.11706	17.1
125.09636	1.7
127.03893	7.4
131.08560	22.0
133.10129	14.5
133.11058	1.7
135.11682	27.8
137.09668	2.0
137.13232	6.9
139.11183	1.8
145.04956	16.3
145.10103	16.6
147.11673	11.8
149.13258	21.3
151.11205	2.4
151.14865	2.0
159.11678	13.5
161.13229	11.3
163.06001	26.7
163.11162	1.9
163.14821	14.9
165.12766	3.7
173.13255	15.8
175.14861	3.3
177.12865	1.3
177.16426	7.1
179.14308	2.2
187.14864	9.8
191.14384	1.5
201.16382	3.4
205.15894	1.9
205.69814	1.2
215.18080	2.1
219.17305	1.7
233.22507	1.4
243.21074	37.6
261.22125	100.0
262.22464	3.3
263.23801	2.1
279.23065	5.7
317.24887	1.6
335.25754	31.3
353.26852	55.4
399.72113	1.8
467.64584	1.3
497.31091	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	693.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08884	0.7
53.06438	0.7
67.05506	1.2
69.54843	1.1
69.55251	4.8
81.03403	0.8
81.07053	1.9
83.08590	0.9
87.05973	0.8
93.07049	1.1
95.08614	1.8
96.80013	0.8
105.07021	1.2
108.17293	0.9
109.10129	1.0
132.22821	0.8
135.14827	0.9
261.77878	0.8
381.74643	0.8
597.69379	0.8
647.05060	0.8
693.45441	100.0
694.46008	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.1
54.25219	1.3
55.01868	4.4
55.05509	26.4
57.03440	10.8
57.07056	2.1
61.02932	2.8
65.03935	5.2
67.05499	77.5
68.72594	1.7
69.03425	26.7
69.07059	21.0
69.26425	14.0
69.26832	3.4
70.96642	1.4
71.01333	1.3
71.04996	9.3
73.02892	2.6
79.05488	54.8
81.03414	55.8
81.07051	100.0
83.04974	24.7
83.08610	11.4
85.02898	12.0
85.06538	5.2
87.04472	2.2
91.05473	37.6
93.07039	57.3
95.04963	13.9
95.08601	42.4
97.02879	18.6
97.06508	9.8
97.10160	5.1
99.04442	9.3
99.08070	2.5
103.03853	1.6
103.05413	2.7
105.07024	30.8
107.04945	4.8
107.08587	26.2
109.02877	14.3
109.06509	6.9
109.10126	15.0
111.04453	7.9
111.08089	5.9
113.06026	1.7
113.59077	1.4
117.06999	12.5
119.08578	22.3
121.06512	3.6
121.10134	21.8
123.08092	2.6
123.11677	8.6
124.84113	1.6
125.09624	2.4
127.03917	11.4
127.50569	1.7
128.06235	2.7
129.05484	11.4
129.06966	7.5
131.08562	19.3
133.06573	1.6
133.10126	18.6
135.07986	3.6
135.11670	17.0
137.06018	1.8
137.13298	1.6
139.11159	3.6
140.80685	1.5
141.06985	2.3
143.08534	7.9
145.06468	1.9
145.10149	11.3
147.08038	3.2
147.11690	12.1
149.09631	2.7
149.13264	18.4
151.11172	3.4
155.08539	3.5
157.10106	6.1
159.08064	1.8
159.11697	18.2
161.13274	4.8
163.11201	2.5
169.10114	2.9
171.11690	5.8
173.04469	19.1
173.13266	6.2
175.11180	4.3
177.12804	7.8
179.14313	1.7
181.10091	2.8
183.11707	4.1
185.13274	3.3
187.14828	1.9
193.12340	2.6
195.13826	10.2
197.13313	3.1
199.14954	2.8
213.14818	3.5
215.14294	2.1
225.12425	1.7
243.15846	4.5
243.20950	1.7
247.17299	1.6
259.20639	1.7
261.22171	6.2
267.15945	3.2
269.17477	10.6
273.22244	1.8
301.21457	3.3
319.22476	1.8
335.25848	17.9
337.27319	3.8
339.18045	6.4
341.24719	1.8
351.23206	3.8
369.24274	6.0
387.25476	2.5
411.19611	1.9
413.21808	10.9
443.28036	2.9
503.37381	17.3
529.38745	15.5
547.39795	4.9
613.40710	2.6
637.40253	2.1
655.42230	1.9
673.42621	7.2
691.43762	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01874	0.4
55.05509	1.2
56.94689	0.4
57.03434	2.5
59.05000	0.4
61.02925	5.3
67.05163	0.8
67.05505	9.9
69.03427	3.2
69.07074	1.5
71.01334	0.4
71.04992	0.7
73.02916	3.8
79.05492	2.6
81.03421	2.3
81.07055	5.0
83.08611	0.8
85.02914	5.5
85.06567	0.5
85.25285	0.4
91.03941	3.5
91.05488	2.5
93.07046	3.1
93.78835	0.5
95.04977	0.5
95.08615	3.3
97.02883	4.8
99.04460	0.9
101.02390	1.6
105.07050	1.4
107.08616	1.5
109.02885	1.0
109.10165	6.6
111.04453	0.6
111.08125	0.5
111.55327	0.4
111.58480	0.4
115.03934	0.5
116.05487	0.4
117.07012	0.8
119.08624	1.0
121.10150	1.1
127.03932	1.3
131.08591	0.6
133.10133	0.7
135.11743	0.8
145.10173	0.7
149.13290	0.6
159.11745	0.7
170.64511	0.4
173.11768	2.3
176.92297	0.4
185.04259	1.0
195.09961	0.7
229.14261	1.1
243.08456	2.5
251.12508	0.5
313.94141	0.5
335.25793	0.8
413.17819	10.3
519.29315	5.4
691.40265	100.0
692.40344	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	691.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14462	0.3
51.02426	0.3
53.03959	0.3
53.58633	0.3
55.05508	1.3
57.03439	1.3
61.02929	5.9
63.58590	0.3
67.05507	8.1
67.05869	0.4
69.03432	3.8
69.07072	0.8
69.43564	2.6
71.01353	0.6
71.04989	0.8
73.02917	4.6
79.05489	2.9
81.03426	2.0
81.07065	5.3
83.08634	0.8
85.02903	5.4
87.04469	0.4
91.03955	3.4
91.05463	1.7
93.07037	3.6
95.08607	3.1
97.02892	4.9
99.04472	1.2
101.02396	1.7
103.03985	0.7
103.28405	0.3
105.07049	1.0
107.08604	1.7
109.02872	0.6
109.10163	5.0
116.22060	0.3
116.55725	0.3
117.07060	0.4
119.08603	1.3
121.10165	1.4
127.03883	1.7
131.08577	0.8
133.10146	0.7
135.11752	0.6
136.04025	0.3
145.05032	0.5
145.10153	0.5
149.13336	0.6
150.83180	0.3
173.11755	1.2
173.13120	0.4
185.04321	0.4
195.09947	0.6
203.05299	0.3
229.14444	0.6
243.08366	1.7
263.14865	0.4
287.71255	0.3
335.25824	0.7
379.35397	0.4
413.17804	4.6
519.29333	8.2
521.56854	0.3
691.40265	100.0
692.40637	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2113
Annotation	CHEBI:131769
Peak:m/z	Relative Intensity
57.76492	0.7
62.47903	0.7
70.17115	3.6
70.17424	1.2
70.48925	0.9
98.21443	0.9
119.02000	1.4
143.01808	0.8
155.01881	1.1
157.04642	0.8
173.03102	0.9
185.02908	2.2
185.04251	22.6
188.67398	0.8
197.03036	2.3
203.05284	19.6
232.22362	0.9
241.14360	0.7
245.05074	8.7
257.05267	1.3
269.05185	0.9
274.96912	0.8
279.88474	0.8
287.06165	0.8
297.16269	0.8
305.07370	3.3
347.09473	28.2
347.13773	1.6
365.10529	55.9
369.03241	0.9
383.10291	1.8
407.10992	1.3
408.87680	0.9
417.34177	0.8
425.11670	1.0
429.13580	1.6
445.13150	2.0
485.15848	0.9
509.14890	3.9
527.15796	37.9
689.21051	100.0
690.21680	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11909	5.5
54.77920	5.3
55.05506	15.4
57.03424	15.4
57.07074	48.1
60.58172	5.3
62.68884	5.1
66.80854	4.9
67.05505	43.9
69.07067	24.8
71.08613	30.8
71.60562	5.4
79.05482	13.7
79.10513	5.2
80.78945	4.7
81.07051	60.3
83.08613	20.0
85.10184	20.3
85.47186	5.6
91.05466	23.4
93.07026	15.3
95.08599	61.3
97.10151	6.9
102.51608	5.3
105.07023	18.9
106.91783	5.1
107.08571	10.9
109.10154	24.5
110.85505	5.8
119.08562	18.9
121.10134	8.3
125.36074	5.5
133.10126	14.6
161.13245	17.8
179.14346	14.7
229.14265	6.8
239.23790	9.3
242.40929	5.5
253.17961	20.3
271.19058	41.2
313.27341	100.0
315.93365	6.0
364.79965	5.6
419.03531	7.2
491.41025	13.1
509.41876	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.52
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.8
55.05511	3.6
57.03417	0.5
57.07074	36.0
59.04994	0.9
67.05498	2.2
69.07073	3.1
69.93085	3.2
71.08628	28.9
73.02903	0.8
73.06552	10.1
79.05487	1.4
81.03403	0.8
81.07058	1.5
83.08627	2.7
85.10178	18.9
87.04462	9.9
88.22536	0.5
89.06028	100.0
91.05485	0.9
91.07619	1.2
93.07049	0.8
95.04974	0.7
95.08588	1.1
97.10175	4.9
99.11725	3.2
103.64964	0.5
107.07070	4.8
109.10155	1.0
109.42782	0.5
111.11732	2.3
113.13286	2.0
115.66372	0.5
117.09137	8.2
119.81584	0.5
127.14809	0.8
130.08649	4.0
131.07018	3.6
133.08600	49.3
135.10156	1.2
151.09668	0.7
161.11755	2.3
169.19511	4.6
175.09660	1.3
177.11217	19.6
213.22086	2.5
219.12244	0.8
221.13831	3.7
239.15057	0.7
254.24915	0.5
257.24771	6.0
265.16586	0.5
283.17642	1.5
301.27325	4.7
327.20001	1.0
353.22183	0.5
503.30646	1.8
671.49536	2.9
688.41815	0.6
688.51459	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	688.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
53.05115	0.3
55.01862	1.4
55.05493	0.4
56.05037	0.4
57.03425	0.4
61.02923	0.6
64.51261	0.3
65.03907	0.4
67.05502	0.6
68.99780	0.4
69.03430	3.4
70.06595	3.9
70.99238	0.7
70.99591	0.4
71.04984	0.6
72.08146	1.3
73.02908	0.6
78.04697	1.2
79.05496	3.3
81.03419	3.3
81.07050	0.9
83.04981	0.6
84.04499	0.5
84.08140	1.2
85.02907	5.2
86.09702	1.9
87.00836	1.9
91.05477	2.4
93.07034	0.8
94.06586	0.3
95.04971	2.1
95.08595	0.5
96.08122	0.8
97.02898	2.3
97.06508	0.3
99.04450	0.9
100.08855	0.3
103.05466	3.5
105.01866	1.0
105.07021	4.8
106.04183	0.7
107.04955	5.6
107.08573	0.4
108.04472	0.4
108.08157	0.6
109.02882	2.2
109.06527	0.6
110.07120	0.4
110.09672	0.5
111.04430	1.3
111.08101	0.3
115.05474	1.6
115.08643	0.3
117.07005	1.4
119.04941	0.9
120.08092	1.2
121.06493	2.1
122.03664	0.4
122.06017	0.6
123.04435	4.7
123.08067	0.7
124.05218	2.3
124.07589	1.5
125.05972	0.9
127.03923	2.1
129.06985	1.2
129.10207	0.7
131.04927	6.8
131.08554	1.1
133.06499	6.0
134.03601	0.3
135.04436	0.5
135.08052	1.0
136.05130	0.4
136.07585	1.1
137.05995	3.8
138.05475	0.3
138.06758	0.4
138.09169	1.1
141.06958	0.9
143.04840	0.4
144.05652	0.7
145.02827	0.4
145.04970	0.5
145.06512	2.7
145.10194	0.4
145.92834	0.4
147.04434	2.4
147.08080	0.5
149.05991	0.8
151.03931	1.5
151.07542	3.2
152.04681	1.7
153.05466	0.8
155.08310	0.4
157.06429	0.6
158.07262	1.2
159.02881	0.8
159.08038	1.3
160.03944	0.4
160.05220	0.8
161.05989	6.3
163.03986	0.6
163.07542	9.6
165.09103	0.6
166.06265	0.6
166.08661	2.0
167.07042	100.0
168.07500	0.7
172.03914	0.8
172.05234	0.5
173.05998	1.3
173.09616	1.6
175.03923	0.5
175.07571	2.0
177.05501	0.7
177.09081	2.0
178.06244	0.6
179.07069	2.9
181.08609	5.8
187.07553	3.0
189.09114	0.7
190.04997	1.4
192.07800	0.6
193.08609	14.5
199.07549	0.4
201.09082	2.3
204.06496	0.5
205.08542	2.3
207.06516	1.1
207.10167	0.9
209.08037	0.4
211.09631	0.5
217.08578	1.5
219.10130	2.7
231.08197	0.7
231.10181	0.5
233.11705	2.3
237.02974	0.4
237.11227	2.4
249.11205	1.2
251.12950	1.7
263.10641	0.9
277.10535	0.6
291.10178	0.7
297.12292	0.9
313.11667	0.6
323.12878	1.2
325.11688	1.6
329.11240	0.8
341.11285	0.7
343.12939	0.9
355.11246	0.7
355.15417	9.4
361.13791	0.5
387.18060	10.3
397.16895	0.4
405.19098	25.4
406.19061	0.4
413.16083	0.3
415.17551	0.7
423.20132	0.9
427.18924	0.3
429.19119	0.6
476.18060	0.5
488.28879	0.3
494.19247	4.6
495.20059	0.3
513.21210	0.5
526.21539	1.1
531.22131	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	2.7
57.07072	33.9
59.04998	0.9
65.16640	1.0
69.07056	6.0
70.12760	3.3
71.08627	35.0
73.06548	10.9
81.07040	1.0
83.08608	4.4
85.10175	21.9
87.04465	9.4
88.93795	1.0
89.06026	100.0
97.10140	4.2
98.20779	1.2
98.30968	0.9
99.11713	2.8
107.07054	4.9
111.11694	2.5
113.13265	1.7
117.09135	8.5
125.13300	1.4
127.14780	1.5
130.08627	4.2
131.07001	2.8
133.08597	50.8
135.10097	1.3
139.14772	1.3
141.16408	1.8
161.11739	2.4
175.09535	1.6
176.47141	1.0
177.11218	19.5
211.24203	3.3
216.34128	0.9
221.13811	3.3
239.14781	1.4
255.26694	1.7
265.16318	1.2
269.34467	0.9
277.88400	0.9
283.17560	2.0
299.29398	6.4
308.08868	0.9
309.68564	1.0
327.20197	1.6
343.32230	4.3
459.27914	2.8
556.60339	1.0
669.51074	3.6
686.53888	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	686.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41644	0.5
53.03935	0.9
55.01871	0.8
55.05508	10.7
57.02802	0.6
57.03436	13.2
57.07073	2.2
59.05003	4.1
61.02928	4.1
61.42969	0.5
65.03941	2.0
67.05505	93.1
67.99921	0.5
68.05854	0.7
68.88652	0.6
69.03434	1.0
69.07063	6.9
70.25638	2.1
71.04989	2.9
73.02925	1.1
79.05493	17.9
81.07056	35.0
82.07381	0.7
83.04973	1.1
83.08621	7.3
85.02901	3.5
85.06544	3.6
91.03940	1.9
91.04957	1.0
91.05484	11.5
93.07047	23.2
95.04976	2.0
95.08611	22.6
96.08945	0.7
97.02880	2.1
97.06538	0.8
97.10173	1.8
99.08094	1.0
105.07015	6.5
107.07872	0.7
107.08590	13.3
109.06501	0.6
109.10155	71.1
110.10493	0.7
111.08091	3.4
117.07025	2.8
119.08576	9.0
120.73080	0.6
121.10137	8.8
123.11712	2.6
125.09644	1.6
127.11214	0.6
131.08554	4.4
133.10110	4.4
135.11693	8.0
137.08641	0.8
137.09595	3.3
137.13228	1.4
145.10080	3.9
147.11670	2.9
149.13232	4.1
151.11093	0.7
155.10677	3.2
159.11752	3.2
161.13293	2.2
163.14845	2.2
172.07745	0.7
173.11749	23.5
173.13251	2.9
174.12071	0.8
175.14853	1.1
187.14755	1.0
189.11227	1.4
206.47292	0.6
215.18108	0.6
215.88049	0.6
227.12819	5.1
229.14349	100.0
230.14766	1.5
243.21109	4.7
261.22156	14.8
263.20599	0.6
263.23505	0.9
317.24689	3.2
335.25800	65.8
336.26050	1.6
379.29858	0.8
383.28171	0.7
397.31012	1.2
415.32242	1.1
433.33322	0.6
456.52533	0.6
471.34406	1.3
489.35742	36.6
490.35938	1.1
507.36633	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
61.16182	0.5
62.59946	0.5
67.05497	0.9
69.07092	0.5
69.42728	1.5
69.43137	3.2
69.74458	0.6
81.07050	0.7
93.07056	0.5
95.08593	0.7
105.03425	1.0
105.07042	0.8
175.33620	0.5
182.23039	0.6
241.62930	0.5
244.00856	0.5
281.71414	0.5
681.41797	100.0
682.42175	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	681.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.3
55.11025	1.0
56.52423	1.0
56.96559	14.5
57.45431	1.0
69.07076	1.7
70.89195	3.0
71.95258	1.4
72.96049	1.3
76.00191	1.1
79.05477	1.6
81.07047	2.1
95.08572	1.2
116.52436	1.2
131.00168	1.1
137.02864	1.1
137.05971	2.0
153.71225	1.2
223.10013	2.5
235.10077	3.5
241.11113	30.8
242.11537	1.4
243.93312	1.1
253.11092	59.6
254.11476	2.2
259.12192	46.2
264.12628	2.3
271.12155	100.0
289.13205	6.3
294.13733	8.4
467.26791	87.5
467.31778	1.5
467.33649	1.5
468.26968	2.3
611.80524	1.4
619.42328	1.1
681.35162	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05263	0.9
55.05508	12.9
57.03175	1.2
57.03435	12.4
57.07074	1.6
59.04979	2.3
61.02919	4.4
65.03917	2.4
67.05501	100.0
69.03419	1.9
69.07069	11.4
70.02261	2.4
70.02672	2.0
71.04962	2.7
73.02885	1.2
73.30857	0.8
79.05484	23.0
79.76173	0.7
81.07052	40.3
83.04949	1.6
83.08618	8.5
85.02908	5.2
85.06528	3.2
91.03940	2.2
91.05473	16.0
93.07040	29.4
95.04942	3.4
95.08601	31.0
96.08961	1.0
97.02878	2.0
97.06517	1.5
97.10160	2.0
98.21460	1.0
99.04430	0.9
105.07021	6.7
107.08588	17.1
109.10149	78.7
110.10442	1.2
111.08060	3.6
111.11732	0.9
117.06992	4.3
119.08578	12.0
121.10130	11.4
123.11676	3.7
125.09602	1.9
127.03887	0.9
131.08582	6.3
133.10121	4.2
135.11700	7.4
137.09627	4.4
137.13225	1.3
145.10161	4.7
147.11644	5.2
149.13229	5.2
155.10660	4.3
159.11713	3.9
161.13263	2.0
163.14786	2.9
173.11714	23.9
173.13248	4.4
175.14772	0.8
187.14851	1.9
188.46933	0.9
189.11256	0.9
197.68994	0.8
197.90584	0.8
201.16479	1.0
203.18376	0.8
227.12704	4.1
229.14342	87.4
230.14705	1.3
233.22557	1.1
243.21068	4.4
261.22125	20.6
262.76468	0.8
303.05399	0.8
317.24725	3.3
335.25775	82.0
336.26044	1.9
338.71255	1.0
379.29913	0.9
397.31134	2.4
439.82162	0.9
489.35699	62.0
490.35834	2.3
507.36691	2.2
631.25818	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67932	0.3
50.97824	0.3
53.03943	0.4
55.01864	0.3
57.03438	0.7
61.02919	0.5
65.00142	0.3
65.03938	0.6
66.32644	0.2
67.05496	0.4
69.03430	2.8
69.58268	0.6
69.58668	1.4
70.06583	1.5
71.04977	0.9
73.02908	0.3
74.02431	0.3
79.05502	0.4
81.03421	1.9
81.05811	0.3
82.06580	0.4
83.04977	0.4
84.04513	0.3
84.08128	0.7
84.22153	0.2
85.02908	3.5
86.09704	0.7
87.04451	0.3
89.03915	0.8
89.07174	0.3
91.05476	1.3
93.07042	1.3
94.06551	1.3
95.04939	0.5
95.07349	1.2
96.08123	2.6
97.02896	2.3
97.06556	0.3
98.20808	0.5
99.04453	0.5
99.05572	0.5
100.03959	0.4
103.05484	0.4
108.08106	2.5
109.02879	0.9
109.06529	0.2
110.09679	4.2
116.04984	3.1
116.98577	0.3
119.04957	0.6
120.04440	0.4
120.08094	3.1
122.06023	3.3
124.07578	0.8
127.03893	1.3
129.10223	0.5
134.05940	0.4
135.04385	0.3
136.06512	0.2
136.07588	4.9
138.09145	5.9
144.04443	8.1
145.05032	0.5
146.04456	0.5
146.06004	2.1
147.04420	0.3
148.03917	4.5
148.07582	1.9
150.09108	0.9
152.07037	0.6
154.08630	0.3
159.08354	0.3
160.03951	0.6
162.04271	0.4
162.05507	4.6
163.07167	1.1
164.07201	0.4
166.04997	2.1
166.08640	17.2
167.06998	0.6
172.03934	49.6
174.05505	1.2
175.03885	0.4
176.07037	0.4
177.05537	0.3
189.81894	0.3
190.04985	11.6
192.06508	0.9
194.08136	0.2
204.06560	100.0
205.06845	0.8
206.08171	0.6
207.06509	1.4
222.07582	0.9
227.09059	0.3
239.11859	0.3
250.10732	0.3
251.11720	0.3
255.11243	1.0
255.30635	0.2
273.12375	1.2
279.03741	0.4
279.11157	0.4
281.12637	0.3
283.10721	1.3
287.05426	0.5
289.90643	0.3
297.12274	0.7
301.11908	2.0
303.04938	1.1
306.40564	0.3
309.03806	0.3
311.13754	0.3
316.08337	0.4
321.04694	0.2
325.11823	4.1
327.04910	1.0
329.14996	2.5
334.09354	3.9
339.13379	2.0
341.14938	0.3
343.12888	3.3
345.06305	0.4
357.14444	28.1
358.14670	0.3
359.15875	0.6
360.10065	0.6
366.11783	1.2
376.61542	0.3
377.01794	2.1
395.02853	0.8
396.03204	0.3
469.15726	0.9
483.17157	0.3
487.17160	4.3
501.18228	0.8
519.11285	1.0
519.19342	1.5
649.10150	0.7
649.21057	0.5
681.23541	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30545	0.5
71.59880	0.7
89.06013	0.5
89.10419	0.6
93.07056	0.5
98.58185	0.5
100.11245	1.0
105.07094	0.4
115.33961	0.4
123.21924	0.4
383.23785	0.6
679.43866	100.0
680.44556	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	679.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.73167	1.0
70.30115	0.9
77.47897	1.1
83.45022	1.0
90.95497	0.9
160.32413	1.0
194.38968	0.9
245.59004	1.0
268.36536	1.0
406.36722	1.3
572.67682	1.1
617.29431	1.0
679.43762	100.0
680.44305	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	680.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.05503	11.1
57.03433	9.1
57.07064	3.4
61.02927	32.5
65.03942	2.8
67.05168	3.8
67.05505	59.4
67.22689	2.4
69.03431	4.1
69.07059	15.1
71.04986	4.1
71.20131	3.9
71.20467	3.5
73.02913	11.5
74.41185	2.3
79.05491	42.9
81.03416	3.1
81.06580	3.6
81.07058	65.5
83.08611	4.9
85.02902	34.0
85.06519	2.6
91.03951	33.6
91.05477	25.2
93.07042	51.8
95.04967	4.0
95.08611	67.3
97.02895	20.5
99.04453	3.7
105.07047	22.4
107.05014	2.3
107.08597	45.6
109.06499	2.6
109.10155	36.5
111.08058	3.1
117.07021	9.0
118.54833	2.2
119.08565	23.7
121.10143	37.6
123.08069	2.6
123.11691	12.0
127.03905	9.6
131.08557	20.0
133.10136	15.1
134.42519	2.5
135.11691	32.2
137.13286	2.9
145.04984	15.4
145.10121	20.7
147.11710	17.6
149.13242	24.9
151.11215	3.1
159.11702	16.5
161.13258	6.1
163.06026	22.9
163.14851	7.8
165.12735	3.9
173.13269	12.0
178.09744	2.3
179.45723	2.1
187.14838	5.9
190.29921	2.7
191.14323	3.3
208.86140	2.8
219.21022	3.3
226.92259	2.8
229.19487	38.9
247.20572	100.0
265.21506	6.5
267.06696	2.4
299.67554	2.8
321.24286	33.7
339.25293	48.8
483.29303	4.4
636.88660	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	679.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.8
55.05507	22.1
57.03427	6.9
57.07069	10.5
61.02924	17.2
67.05502	81.5
69.03402	3.4
69.07068	30.4
69.77762	11.6
71.04980	4.3
71.08624	5.7
73.02898	5.7
73.99424	1.8
75.04472	2.0
79.05483	25.4
81.03410	3.9
81.07053	100.0
83.04988	3.4
83.08618	25.9
85.02900	19.5
85.06543	3.8
85.10175	4.6
86.53277	1.7
91.03955	16.9
91.05482	19.1
93.07039	30.2
95.05013	2.8
95.08603	87.7
97.02899	10.6
97.06508	6.9
97.10151	13.9
99.08098	2.0
105.07017	13.7
107.08595	19.0
109.06534	2.4
109.10149	46.5
111.08083	5.0
111.11723	3.8
113.09586	2.2
116.98178	1.6
119.08586	14.4
121.09283	3.0
121.10132	29.6
123.11695	18.8
125.09606	2.4
125.13210	1.7
127.03901	5.6
127.59030	1.7
133.10126	20.0
135.11687	16.3
137.09618	2.0
137.13246	9.8
139.11160	1.8
141.12723	5.5
145.04929	6.5
145.10152	2.1
147.11681	15.3
149.13246	9.4
151.14836	6.6
155.14293	4.3
161.13242	17.9
163.05988	7.6
163.14809	13.6
163.51144	1.6
165.15215	2.0
165.16370	10.7
175.14810	13.7
177.16360	2.9
179.17938	7.5
189.16382	7.3
203.18161	1.8
207.17307	2.2
245.22639	58.1
263.23679	75.9
265.25186	3.5
281.24841	1.8
295.22015	1.6
337.27347	64.9
350.16901	1.7
353.32956	1.8
355.28262	8.9
382.54071	1.9
499.32672	6.0
679.37128	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.1
55.01870	0.2
55.05485	0.1
56.05027	0.1
57.03442	0.6
61.02908	0.3
67.05502	0.2
69.03436	0.8
69.66428	0.6
70.06586	0.1
71.04993	2.2
72.08183	0.1
73.02921	0.3
75.04484	0.1
79.05486	0.2
81.03404	0.4
82.06581	0.2
83.04987	0.6
84.04496	0.7
84.08116	0.1
85.02908	5.9
86.09692	0.1
87.04447	0.2
91.03932	0.1
94.29512	0.1
95.01337	0.2
95.04936	0.2
97.02883	1.0
98.20713	0.1
99.04475	0.2
109.02889	0.3
111.04443	0.5
119.04987	0.1
122.99939	0.1
123.00790	1.5
123.04447	0.1
124.06132	0.1
127.03938	0.6
129.05493	1.5
135.04395	0.2
139.03870	0.1
141.01848	0.3
145.02895	0.1
145.04987	0.5
145.05984	0.1
146.04462	0.2
147.04417	0.1
147.06454	0.5
161.06053	0.2
163.03922	1.1
163.06023	0.1
165.06892	0.1
167.08662	0.1
169.01384	0.1
173.06035	0.1
177.05449	0.2
190.07771	0.1
191.03389	2.0
193.04900	0.1
197.06006	0.1
202.07805	0.1
205.10162	0.2
209.04449	100.0
210.04796	0.9
210.21455	0.1
211.07632	0.2
215.08727	0.1
223.07550	0.3
229.07031	0.4
233.09654	0.3
241.08572	1.3
251.07233	0.2
251.10666	0.3
261.09027	0.2
263.10663	0.1
267.10059	0.2
270.11343	0.2
279.07031	0.1
279.10141	0.6
281.11603	0.1
282.11172	0.1
289.08359	0.1
296.12878	0.3
306.11325	0.1
307.09509	0.7
317.92230	0.1
324.12054	0.5
325.10556	0.1
371.04999	0.2
371.09729	4.3
443.09006	0.1
499.16064	0.2
516.18719	0.6
517.15363	0.2
528.12823	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	679.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95498	1.7
56.09943	1.5
58.68764	1.7
69.73520	11.2
78.04397	1.5
91.62387	1.5
94.92416	3.5
94.93007	64.5
98.21421	1.6
99.04401	2.0
163.07336	1.7
209.04375	3.3
220.97252	3.6
221.95628	7.8
230.94104	2.1
233.18909	1.9
285.94739	6.0
292.97009	2.5
297.80670	1.8
300.99725	3.9
310.98172	3.4
319.00897	34.4
337.01947	100.0
338.97473	10.9
356.98849	2.1
437.01041	7.3
447.07446	1.8
543.13080	4.6
563.12952	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	677.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.7
55.05511	11.8
57.03438	5.5
57.07060	3.9
59.30716	1.0
61.02928	24.2
65.03925	1.7
67.05504	58.9
69.03405	4.6
69.07066	14.2
71.04972	2.6
71.08604	1.0
73.02921	10.0
75.04481	1.6
79.05490	38.1
81.07056	76.5
83.08610	8.0
85.02422	1.9
85.02903	28.7
85.06550	2.0
91.03397	1.8
91.03954	24.4
91.04948	1.7
91.05479	19.2
93.07043	54.2
95.04955	4.4
95.08603	56.7
97.02892	12.3
97.06525	3.6
97.10165	3.1
99.04446	1.3
99.08080	2.9
103.03909	1.3
105.07023	19.6
107.08595	36.8
109.06487	1.5
109.10150	31.9
111.08087	2.5
113.09663	1.7
117.07030	8.5
119.08578	18.1
121.10141	37.0
123.08082	1.2
123.11702	18.2
125.09605	2.0
127.03924	9.6
129.06940	1.3
131.08575	19.8
133.10129	14.7
135.11688	28.6
137.09555	1.9
137.13226	6.6
139.11169	1.3
145.04977	14.6
145.10123	14.0
147.11690	10.9
149.12178	1.8
149.13268	26.7
151.11124	1.4
151.14816	3.4
153.12788	1.3
157.10072	1.2
159.10461	1.2
159.11717	14.8
161.13237	10.6
163.06004	18.9
163.14810	16.2
165.12799	1.7
173.13246	17.0
175.14807	3.8
177.12788	1.5
177.16357	7.4
179.14279	2.1
187.14838	10.1
189.16345	1.6
191.14262	1.3
201.16394	4.1
205.15916	1.4
215.17955	1.9
233.22639	4.7
237.22484	1.0
243.21077	37.8
261.22147	100.0
262.22357	1.2
263.23727	2.6
266.15961	1.1
279.23279	3.3
335.25818	19.7
338.67651	3.1
345.23962	1.2
353.22949	2.0
353.26874	30.8
444.39600	1.1
450.32721	1.1
452.71588	1.3
466.99503	1.1
558.09247	1.1
617.21814	1.4
677.36096	3.6
685.64087	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
54.49017	1.0
55.01866	1.5
55.05508	13.7
57.03427	6.5
57.07066	4.9
57.77736	1.1
61.02925	17.9
61.47267	1.1
65.03934	2.9
67.05504	82.0
69.03414	2.2
69.07061	14.9
71.04983	3.0
73.02918	8.4
75.04483	2.4
76.37630	1.2
76.54611	1.1
79.05487	47.0
81.07053	90.5
83.04965	1.4
83.08617	10.7
85.02907	19.6
85.03413	1.6
85.06537	3.6
91.03960	17.1
91.05480	24.7
93.07041	59.9
95.04960	4.5
95.08603	72.3
97.02884	9.6
97.06535	4.5
97.10180	3.7
99.08095	5.1
101.02371	1.6
105.07037	18.5
107.08595	39.2
109.10155	38.3
111.08084	2.4
113.09656	1.2
117.07008	10.0
119.08580	16.0
121.10149	35.9
123.11705	18.7
127.03891	7.6
131.08563	23.0
133.10124	18.2
135.11690	30.2
137.13264	9.1
139.11148	2.3
145.04939	8.9
145.10130	14.4
147.11690	12.0
149.13252	25.3
149.14362	2.0
151.11209	1.9
151.14835	2.3
153.12720	1.2
159.11688	13.0
161.13274	12.8
163.06036	11.1
163.14821	14.2
165.12781	3.0
173.13268	17.8
175.14806	2.9
177.12755	2.2
177.16402	6.7
179.14264	2.6
187.14847	9.3
201.16389	3.5
205.15808	1.6
229.42644	1.3
233.22580	2.8
243.21077	34.5
261.22141	100.0
263.23648	2.3
279.19882	1.1
279.23163	5.4
335.25778	35.0
353.26871	29.7
367.20877	1.3
479.29910	1.6
497.31064	5.7
507.52176	1.5
550.95026	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95498	1.7
56.09943	1.5
58.68764	1.7
69.73520	11.2
78.04397	1.5
91.62387	1.5
94.92416	3.5
94.93007	64.5
98.21421	1.6
99.04401	2.0
163.07336	1.7
209.04375	3.3
220.97252	3.6
221.95628	7.8
230.94104	2.1
233.18909	1.9
285.94739	6.0
292.97009	2.5
297.80670	1.8
300.99725	3.9
310.98172	3.4
319.00897	34.4
337.01947	100.0
338.97473	10.9
356.98849	2.1
437.01041	7.3
447.07446	1.8
543.13080	4.6
563.12952	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.266
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22597	0.3
69.70679	2.0
70.06608	0.7
84.08103	0.3
157.43073	0.3
411.14468	0.3
413.15982	0.4
453.15845	0.7
454.16595	1.0
455.12790	0.5
457.14883	0.4
467.13568	1.0
468.13916	2.2
469.14612	6.8
470.15350	1.7
471.16711	1.0
472.17444	0.4
480.13742	0.4
481.14389	1.8
482.15881	10.2
483.16684	10.2
484.17398	2.6
485.18161	1.0
487.16599	0.4
495.16763	2.5
496.17480	5.7
497.18246	36.8
498.18692	4.6
499.19730	0.9
500.17224	0.4
501.17477	0.6
510.19174	2.2
511.19836	5.8
512.21021	1.4
513.18262	0.5
515.19397	2.5
516.20251	0.6
523.16290	0.4
524.19415	0.3
528.16370	1.9
529.17017	0.4
538.20538	1.0
541.17065	1.2
542.17938	3.1
555.18695	4.1
556.19623	3.4
557.20270	3.2
558.20294	0.4
569.20453	0.7
616.22003	1.2
617.22131	0.4
625.23444	0.5
629.22620	1.1
630.23492	0.4
643.23987	6.7
644.24744	8.2
645.24451	1.2
657.25616	6.8
660.23999	0.6
675.26605	100.0
676.26910	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	677.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	0.5
69.46471	2.4
71.63826	0.3
88.07637	0.4
88.98421	0.3
95.08650	0.3
105.07040	0.4
115.43816	0.3
115.50891	0.3
116.01806	0.3
135.08171	0.3
173.09673	0.3
185.04228	0.8
220.34210	0.3
256.26462	0.7
259.08115	0.3
333.24857	0.5
347.09467	1.2
435.58026	0.3
454.52298	0.3
515.23944	0.4
515.26196	0.4
515.31909	22.7
677.37146	100.0
678.37939	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	0.2
59.41355	0.2
67.05514	0.3
70.06581	0.2
71.08650	0.3
74.91580	0.2
85.02886	0.2
88.07600	0.3
95.08562	0.2
119.01916	0.2
122.86745	0.2
133.03445	0.4
149.02397	0.4
155.01878	0.2
161.02927	0.2
173.02927	0.3
185.04288	0.6
193.05034	0.3
203.05338	1.7
256.26434	0.9
259.07962	1.3
277.07922	0.2
284.29886	0.2
305.08551	0.2
308.84000	0.2
333.24792	1.0
347.09332	1.4
349.17062	0.2
353.26498	0.2
357.25070	0.2
365.10526	3.1
369.15073	0.2
415.83212	0.2
421.13281	1.1
459.91794	0.2
515.31879	22.5
516.32269	0.4
578.60345	0.2
677.37134	100.0
678.37250	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.7
57.07072	33.3
59.05000	0.8
63.69254	0.6
68.22356	0.4
69.07063	5.2
70.78876	0.9
71.08627	30.5
72.21441	0.5
73.02915	0.9
73.06165	0.8
73.06549	9.3
83.08610	4.4
85.10179	18.4
87.04463	8.9
87.10235	0.5
89.06026	100.0
89.84620	0.6
91.07568	1.2
93.06987	0.6
97.10162	5.2
99.11727	2.8
107.07067	5.1
111.11725	3.7
113.13290	1.9
117.09129	7.8
125.13265	1.7
127.14849	1.9
130.08626	3.9
131.07059	3.4
133.08595	57.6
135.10175	1.3
139.14836	0.6
141.16356	1.0
143.52315	0.5
155.17995	0.6
161.11736	2.0
170.11530	0.5
175.09651	1.2
177.11209	26.1
179.12750	0.8
197.22638	3.3
219.12321	0.7
221.13805	4.9
239.14912	1.2
241.25226	2.6
283.17514	2.3
285.27795	7.2
327.20148	1.5
329.30429	4.7
353.21606	0.7
365.47067	0.7
395.91910	0.6
415.25330	0.9
459.28070	2.6
638.40967	0.6
655.49847	4.0
672.52466	2.3
673.25702	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	672.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36614	0.6
55.05508	5.0
57.03437	3.3
57.07072	31.5
61.02641	0.9
61.02924	12.7
61.03532	0.5
67.05499	8.8
68.28819	0.5
68.84059	0.6
69.03423	1.2
69.07059	6.9
70.25288	0.5
70.40458	1.4
70.40856	1.0
71.04965	0.6
71.08626	27.6
73.02897	4.5
75.04460	2.4
79.05445	0.9
81.03383	0.6
81.07047	12.3
83.08615	9.8
85.02895	13.2
85.10178	17.5
89.06002	0.7
91.03941	9.8
91.05424	0.6
93.07021	0.7
95.04987	0.6
95.08598	18.4
97.02890	6.3
97.10159	4.9
99.04419	0.7
99.11717	1.6
99.37893	0.6
99.91148	0.6
103.07560	0.7
109.10152	9.7
111.11695	1.5
123.11713	3.8
125.13255	0.9
127.03907	4.0
137.13213	1.6
145.04935	5.9
151.14787	0.7
153.04115	0.5
163.05995	9.3
187.05304	0.5
201.19707	0.5
207.06526	1.1
221.22644	1.1
239.23679	23.5
240.24066	1.0
257.24719	4.6
313.27338	100.0
314.27676	2.5
331.28391	25.9
332.28625	0.7
399.10123	0.7
475.32553	2.5
564.34918	0.9
592.49579	0.7
672.37372	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.05506	4.4
57.03438	2.7
57.07073	32.5
57.54280	0.5
61.02922	13.0
67.05169	0.7
67.05502	9.3
67.69013	0.5
69.03415	1.3
69.07063	6.6
70.34468	2.0
71.04971	0.8
71.08630	25.5
73.02911	4.5
75.04455	2.2
79.05492	1.9
81.03410	1.8
81.07053	13.7
83.04945	0.5
83.08615	11.1
85.02900	16.3
85.06545	0.8
85.10181	14.4
89.06010	1.0
89.54522	0.5
90.73833	0.6
91.03394	0.8
91.03953	13.2
91.05459	2.2
93.07029	2.1
95.04968	2.7
95.08601	20.6
96.08931	0.7
97.02891	7.9
97.10172	6.3
99.04453	0.7
99.11720	1.3
105.06993	0.9
109.02859	0.7
109.10148	10.0
111.11721	1.0
117.07049	0.9
119.08524	0.5
121.10151	0.7
123.11684	4.3
125.13254	0.9
127.03929	5.0
131.04947	0.8
133.10098	0.7
137.13249	2.2
145.04941	7.4
159.96939	0.6
163.06007	11.7
216.87352	0.6
221.22577	1.4
239.23680	23.5
244.03772	0.6
257.24765	3.9
273.14709	0.7
275.25443	0.6
301.14233	0.7
313.27347	100.0
314.27701	2.1
331.28406	36.0
332.28937	0.7
636.39343	1.8
654.41101	1.0
672.41125	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42347	1.9
51.90490	1.7
55.01887	2.4
55.05510	25.1
57.03445	7.3
57.07076	12.2
61.02925	27.4
67.05503	33.2
69.03428	5.1
69.07065	40.8
69.07410	3.6
69.91581	4.1
69.92000	6.6
71.08636	6.6
73.02916	9.9
75.04477	2.6
79.05489	12.7
80.59064	1.8
81.03440	2.8
81.07056	43.9
83.04990	2.9
83.08623	35.2
83.09111	2.7
85.02905	33.7
85.10210	4.4
91.03954	25.8
91.05460	2.7
93.07050	22.5
95.08604	29.6
97.02890	14.3
97.06535	9.2
97.10171	23.3
99.04444	2.5
99.08113	3.1
105.07054	2.5
107.08594	21.5
109.10155	15.1
111.08089	6.4
111.11746	7.5
111.62485	1.6
115.03978	2.2
121.10138	45.2
123.11721	15.1
125.09586	3.4
127.03919	10.2
135.11685	32.6
137.13261	11.2
139.11171	3.5
142.22450	1.8
145.04976	13.8
149.13266	13.6
153.12787	2.2
163.06023	19.2
163.14825	5.4
207.33102	1.9
212.19827	1.7
219.21083	40.9
237.22122	96.2
242.28694	1.7
255.23196	26.8
311.25803	100.0
329.26855	70.9
448.81781	2.0
473.31152	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	671.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.2
53.03946	0.6
55.01862	0.2
55.43919	0.2
57.03438	0.3
59.81097	0.2
61.02917	0.2
65.03938	0.9
65.56068	0.2
67.01868	0.2
67.05502	0.2
68.99789	0.7
69.03439	1.3
70.06586	2.5
71.04964	0.2
71.60620	0.2
72.08161	0.6
73.02943	0.2
76.34782	0.2
77.03925	0.5
77.60433	0.2
78.04703	0.2
79.05490	0.4
81.03410	4.4
81.03848	0.4
83.04987	0.2
84.04498	0.3
84.08154	1.1
85.02905	1.6
86.09706	0.8
89.03920	0.7
91.05476	17.9
93.07032	0.2
95.04961	0.5
97.02886	0.6
97.06498	0.2
98.05969	0.2
98.97633	0.2
99.04465	0.4
103.05469	0.6
105.03385	0.5
107.04932	0.5
107.08616	0.3
109.02879	1.9
111.00816	0.8
117.03355	0.2
118.04194	0.5
119.04939	27.0
120.05255	0.4
120.08117	0.3
121.02842	1.1
121.06499	0.2
122.03675	0.2
127.03907	2.3
129.03383	0.7
129.10187	1.0
131.04915	0.6
132.01251	0.2
132.02065	1.2
132.05185	0.2
133.02870	0.4
133.10127	0.2
134.03607	0.2
135.04404	0.6
135.08025	0.2
136.05173	0.6
136.07671	0.3
137.02333	6.9
137.03371	0.4
137.05954	0.3
145.02832	0.6
145.06468	0.2
147.04402	23.2
148.04764	0.6
149.02330	1.3
153.01807	2.7
157.03964	1.9
161.05975	0.4
163.03926	1.3
164.04666	0.8
165.00687	0.2
165.01837	1.2
167.07076	0.3
171.02902	0.4
175.03897	43.5
176.04230	0.9
177.05467	0.5
179.06998	1.9
183.02853	0.5
186.04092	0.2
187.03859	0.2
191.07071	0.2
192.04182	0.7
193.04985	0.6
201.05388	0.9
205.04973	0.3
207.06516	100.0
208.06822	1.6
219.02827	0.2
225.07571	0.6
229.04953	3.2
247.06052	0.4
255.06870	0.2
257.04446	2.3
258.05182	0.2
261.04135	0.2
269.23248	0.2
274.04730	0.5
275.05399	0.3
285.03964	0.7
301.03146	0.2
302.04031	0.5
303.04971	60.0
304.05399	1.4
317.06418	0.2
345.05923	0.2
351.10745	7.7
369.11823	4.0
391.31689	0.2
445.26965	0.2
445.48047	0.2
665.07898	0.2
671.22699	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.2
51.05766	1.0
53.03938	5.8
54.88590	0.9
55.01857	3.9
55.05503	10.4
57.03420	4.2
57.07053	1.8
61.02920	5.0
65.03932	3.0
67.05500	29.0
69.03078	1.2
69.03426	19.2
69.07057	10.8
70.06583	6.7
71.04969	3.2
71.59179	1.4
73.02897	3.2
73.63940	1.0
79.05483	19.7
81.03058	1.3
81.03423	13.3
81.07050	59.8
83.04982	1.8
83.08600	4.3
84.08121	3.4
85.02901	52.6
85.06520	1.7
86.09687	4.3
87.00829	11.2
91.03902	1.3
91.05473	27.0
93.07037	43.1
95.04959	5.3
95.08599	69.4
97.02886	19.2
97.06506	2.3
97.10146	4.8
99.04437	4.9
103.05431	1.5
105.01859	26.1
105.07024	62.9
106.07348	1.3
107.04960	2.1
107.08585	65.1
109.02861	15.2
109.06485	3.6
109.10147	51.8
109.10913	1.6
111.08109	1.9
111.11700	1.7
114.10100	1.2
115.03867	1.5
117.06986	2.4
119.04960	1.5
119.08574	50.7
120.08051	1.8
121.06475	1.5
121.10131	24.5
123.08014	1.7
123.11704	12.1
125.09641	1.0
127.03913	27.8
129.01837	1.2
129.10243	1.9
131.08516	3.6
133.10124	31.3
135.07983	1.2
135.11678	17.2
136.07536	1.2
137.05962	2.1
145.02902	1.8
145.04982	10.7
145.10110	4.4
147.04326	1.0
147.08099	1.1
147.11665	51.2
149.13251	2.0
151.11157	2.9
157.09981	1.3
159.02879	5.2
159.11679	3.8
161.13260	18.3
163.03868	1.9
163.11157	2.1
163.14807	11.8
165.12767	2.3
167.07042	1.6
171.11609	1.5
175.11092	1.2
175.14813	8.3
177.12770	1.5
191.10617	1.3
201.16281	1.5
203.17940	100.0
204.18304	1.9
213.03880	3.1
221.19026	6.8
231.04976	8.9
238.94255	1.1
249.05966	5.3
311.20078	1.7
315.04944	2.6
316.05380	3.1
329.21173	2.4
347.22104	4.2
355.78360	1.2
365.23242	6.9
383.24130	2.8
386.09384	2.2
417.11658	3.3
418.12167	6.1
694.66113	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03658	1.6
53.85923	1.5
59.05014	1.8
64.27702	1.8
67.05520	3.6
67.37089	1.5
81.07056	4.2
93.07046	1.7
95.08614	2.3
218.73625	1.7
229.36055	1.7
252.27022	1.6
264.66135	1.6
331.18814	18.9
409.89984	1.6
665.43915	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64461	0.4
55.05489	0.7
65.95777	0.5
67.05485	0.6
69.45687	1.3
69.46098	2.9
71.11568	0.4
81.07027	0.6
81.65163	0.5
92.98353	0.4
105.07050	0.7
107.08559	0.5
121.10163	0.6
131.08597	0.7
161.25346	0.5
163.11011	0.6
308.20178	0.5
328.07156	0.5
349.74185	0.5
497.13089	0.6
665.44446	100.0
666.44647	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47087	0.3
62.75754	0.3
67.05521	0.5
68.93730	0.3
69.81782	1.9
70.06585	0.4
73.02910	0.3
77.99474	0.3
79.05508	0.4
81.07037	0.4
83.39946	0.3
87.42374	0.3
91.05509	0.6
93.07003	0.4
95.05016	0.4
105.07068	0.7
107.04980	0.6
107.08621	0.4
108.97762	0.3
109.10164	0.4
121.10204	0.3
137.06096	0.4
151.12547	0.3
167.07051	0.3
169.74719	0.3
174.57590	0.4
185.04402	0.3
193.12679	0.3
203.05414	0.3
243.08430	0.8
413.17841	0.6
427.24350	0.5
445.25391	2.1
483.26807	0.4
499.18182	0.8
501.28143	2.0
501.67838	0.3
558.19269	0.4
599.19745	0.7
631.22516	3.2
635.34119	0.9
663.33545	100.0
664.34027	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
60.63249	0.4
69.26308	5.3
81.07040	0.5
91.05463	0.6
93.07014	0.5
121.10185	0.5
125.39902	0.5
130.31487	0.4
189.40875	0.4
206.42827	0.5
240.29411	0.5
304.63544	0.5
423.64490	0.4
458.43228	0.5
554.86578	0.5
665.42255	100.0
666.42267	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	0.3
59.27346	0.3
67.05479	0.3
79.05482	0.4
79.19627	0.3
81.07063	0.5
86.56883	0.3
87.04476	1.2
89.06025	0.4
91.05436	0.3
105.07031	1.6
106.07371	0.5
107.08572	0.4
109.10168	0.3
120.84566	0.3
124.68891	0.3
131.08578	0.4
137.53621	0.3
139.05276	0.3
162.57149	0.3
164.37793	0.3
236.54108	0.3
241.13374	0.3
327.07990	0.5
487.19598	0.4
551.33344	0.6
663.46527	100.0
664.47089	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	30.0
57.03422	13.1
60.61481	6.6
61.35633	6.3
63.83978	7.4
67.05500	98.3
69.07053	31.8
70.03484	20.4
70.03893	17.3
77.72459	7.4
79.05483	75.6
81.07053	100.0
83.08610	19.5
87.04450	18.4
91.05481	55.8
93.07043	71.1
95.04947	15.3
95.08595	46.5
97.10178	13.6
98.21465	9.2
105.07014	53.9
107.08570	50.3
108.87111	6.1
109.10144	38.4
117.07003	8.9
119.08580	40.3
121.10123	23.0
123.11695	10.0
125.09669	8.9
129.06996	7.7
131.08525	25.1
133.10118	25.3
135.11664	16.1
143.08569	8.0
145.10088	23.1
147.11649	23.2
149.13150	13.8
157.10013	7.2
159.11635	18.0
161.13258	7.8
173.11774	8.7
174.31404	8.3
206.71222	10.9
220.94762	8.0
225.74297	9.8
227.12785	13.5
239.18112	6.5
241.56201	7.0
245.07153	7.9
255.39194	7.3
257.19064	10.8
261.22174	11.7
267.15842	7.3
275.20020	41.0
307.46506	10.4
317.24487	8.3
327.07843	9.6
335.25781	82.3
349.23483	34.6
489.35526	26.4
504.10876	7.9
609.44635	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	662.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.7
55.01851	4.3
55.05504	32.1
57.03440	20.5
57.07068	5.0
65.03922	6.2
67.05502	100.0
68.76818	3.5
69.07061	27.0
71.04724	6.9
79.05495	73.6
81.07055	89.2
83.04973	7.6
83.08607	12.7
87.04449	14.0
89.70121	3.9
91.05479	52.7
93.07040	83.5
95.04964	14.7
95.08602	62.2
97.06542	10.1
97.10126	5.2
105.07019	40.8
107.04967	6.2
107.08581	34.7
109.06498	8.4
109.10150	31.0
111.08092	4.9
117.07011	23.6
119.08585	31.7
121.06511	4.9
121.10111	24.4
123.11624	5.3
129.06982	8.6
131.08548	25.7
133.10121	27.7
134.55890	3.9
135.11693	24.8
143.08627	4.7
145.10117	19.3
147.11679	15.0
147.99672	3.9
149.09531	7.5
149.13269	8.8
155.08606	4.4
159.11646	14.9
159.43439	4.1
161.13193	5.7
171.11671	4.3
175.14764	4.4
185.13251	5.0
193.60254	4.0
201.16490	4.7
257.18936	8.5
261.22128	12.5
269.17386	12.7
275.20059	26.2
335.25790	87.1
344.79733	4.4
349.23843	20.2
432.61487	4.1
515.36603	6.2
529.31683	4.4
529.38947	56.7
569.41956	19.8
609.44727	9.4
610.69177	5.4
634.46375	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	660.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09949	0.4
54.66020	0.4
55.05504	2.6
57.07072	25.7
59.05034	0.4
67.05497	0.9
69.07064	1.6
69.80508	2.6
70.50776	0.4
71.05013	0.4
71.08629	27.1
72.17353	0.4
73.02908	1.1
73.06550	10.0
79.05475	0.6
80.32153	0.4
81.07060	0.8
83.04951	0.4
83.08614	3.9
85.10175	24.8
87.04462	10.4
89.06024	100.0
91.05469	0.4
91.07602	0.5
93.06993	0.4
95.08618	0.4
97.10173	1.1
98.21462	0.8
99.11723	3.5
105.07030	0.5
107.07073	4.4
117.09121	8.2
124.01012	0.5
130.08626	3.3
131.07045	3.1
131.08586	0.5
133.08594	49.1
135.10173	1.2
141.16370	4.8
151.09688	0.5
161.11642	1.9
166.61679	0.4
175.09683	1.2
177.11201	19.4
179.12781	0.5
185.19022	6.5
185.20595	0.7
221.13844	3.1
226.21664	1.5
229.21617	9.5
229.23773	0.7
230.42188	0.5
239.14975	1.2
265.16388	0.6
267.18063	0.5
272.53171	0.4
273.24219	4.9
274.53085	0.4
283.17554	2.0
294.48694	0.4
317.27090	0.5
327.20175	1.2
351.59103	0.4
371.22641	0.7
459.28104	0.5
503.30441	0.9
599.43744	0.4
643.46191	3.3
660.48798	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.01862	3.2
55.05507	7.9
57.03436	21.6
57.07070	1.2
61.02924	79.7
65.03946	1.7
67.05502	31.4
69.03428	32.0
69.07063	8.4
70.85619	1.3
71.01348	3.4
71.04984	5.1
73.02916	27.6
75.04470	1.1
79.05491	26.8
81.03415	20.7
81.07053	35.0
83.04993	4.8
83.08619	4.8
85.02901	100.0
85.06539	1.7
85.50648	0.9
86.77857	0.9
87.04473	3.6
91.03954	57.9
91.05477	16.7
93.07043	27.5
95.04984	4.8
95.07975	0.9
95.08100	0.5
95.08599	29.5
97.02887	78.3
97.06535	2.4
97.10184	1.8
99.04453	14.8
99.08075	1.4
101.02385	8.3
103.03937	8.2
105.07020	11.6
107.04957	1.7
107.08600	17.1
109.02891	11.3
109.06517	2.6
109.10155	13.5
111.04467	2.6
111.08065	1.4
115.03938	6.5
117.05505	3.1
117.07037	4.2
119.08584	10.5
121.10134	14.3
123.08074	2.0
123.11694	4.1
127.03914	32.8
129.05499	5.5
129.07030	1.7
131.04918	1.1
131.08546	8.2
133.10121	9.0
135.11684	10.5
137.09612	1.5
137.13281	1.7
141.05412	1.0
143.08611	1.6
145.04953	23.9
145.10126	6.3
147.06427	0.9
147.11707	6.8
149.09634	1.6
149.13286	6.9
157.10144	2.3
159.06564	1.2
159.11697	5.8
161.13271	6.5
163.05991	8.0
163.11160	0.9
163.14801	3.1
165.12720	1.0
169.10217	1.3
171.06564	1.8
171.11617	1.6
173.13300	6.3
175.11215	1.1
175.14859	2.6
177.12749	1.2
177.16379	1.2
183.06529	6.0
183.11703	1.1
185.13187	2.2
187.14848	3.2
197.13286	0.9
197.22481	0.9
199.14883	1.3
201.07567	5.0
201.16473	1.1
205.15977	0.9
213.76013	0.9
215.17944	1.2
241.19598	0.9
243.21014	4.3
259.20508	1.8
261.22159	15.5
271.20499	1.2
273.22205	0.9
285.22067	0.9
303.23065	1.3
315.23215	1.1
317.24823	1.1
335.25784	59.6
351.23196	2.0
363.25452	2.5
369.24359	2.5
387.25543	1.3
443.28107	2.8
458.56729	0.9
461.28897	1.9
479.30154	7.6
497.30875	2.5
641.47711	1.1
659.35687	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30629	0.6
50.41178	0.6
54.24731	0.6
55.05515	3.6
57.07074	34.7
65.18342	0.6
67.05499	1.7
69.07053	2.0
71.08632	26.7
73.06553	9.3
79.05490	1.4
81.07059	1.9
83.08612	2.7
85.10178	20.3
87.04469	9.7
89.06029	100.0
90.06356	0.9
91.05441	1.4
91.07633	0.8
93.07074	1.0
95.04981	0.8
95.08598	1.4
97.10160	3.5
99.11737	4.7
105.07040	1.3
107.07065	5.7
107.08603	1.2
109.10149	0.9
113.13250	1.3
117.09151	7.5
130.08618	3.1
131.07054	2.2
133.08598	43.0
155.17934	3.6
161.11769	1.7
175.09674	1.2
177.11205	12.7
199.20659	1.5
221.13837	0.9
229.53247	0.7
243.23236	3.1
280.98886	0.9
287.25903	0.8
300.06027	0.6
312.47870	0.7
335.26123	0.8
667.23322	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.4
57.07074	56.8
67.05492	1.9
69.07068	8.0
70.02713	4.3
71.08630	49.6
72.30473	0.7
73.06557	6.7
79.05518	1.1
80.04482	0.8
80.04980	0.9
81.07043	2.4
83.08619	3.1
85.10180	31.5
87.04474	9.2
89.06030	100.0
91.05474	1.0
91.07580	0.8
93.07059	1.5
95.08604	1.0
97.10145	3.9
99.11729	6.5
107.07067	3.9
107.08628	1.1
109.10150	0.8
111.11726	4.0
111.65080	0.8
113.13266	6.3
117.09161	6.3
119.08508	0.9
125.13243	2.5
127.14835	4.5
129.07042	0.9
130.08630	3.3
131.07022	2.4
133.08598	70.7
134.71428	0.8
135.10155	1.1
154.59448	0.8
161.11816	1.4
175.09639	1.6
177.11209	27.6
179.12735	1.1
183.21056	1.8
193.31091	0.8
209.36935	0.7
213.67816	0.7
221.13820	5.8
223.15532	0.8
227.23691	1.8
239.15073	1.0
242.84872	0.8
271.26251	4.8
283.17459	2.5
309.19098	1.3
315.28946	5.2
327.19934	2.7
371.22598	1.0
415.25244	2.3
459.28131	5.2
474.81696	0.8
553.42303	0.9
597.45062	1.2
641.48450	6.9
658.50977	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	658.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88412	1.3
55.05516	1.6
57.07073	33.2
67.05504	2.4
69.07066	4.9
69.71570	9.4
71.08630	31.8
72.85712	1.1
73.06551	8.8
80.46729	1.3
81.07047	2.9
83.08603	2.5
83.77573	1.1
85.10187	16.9
87.04462	7.9
89.06028	100.0
95.08589	1.3
97.10152	4.4
98.21529	1.6
99.11723	4.5
107.07070	4.1
111.11722	3.5
113.13286	2.4
117.09132	5.5
123.78148	1.4
127.14884	1.9
130.08623	3.2
131.07034	1.7
131.97325	1.4
133.08597	46.6
133.09612	2.2
135.10149	1.7
161.11723	2.0
177.11217	21.1
183.21063	2.5
221.13770	3.3
227.23651	3.4
239.14856	2.0
271.26331	6.6
315.28891	3.6
371.50882	1.7
459.27756	3.5
641.48260	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	657.3095
Annotation	Dicliripariside A
Peak:m/z	Relative Intensity
56.96544	0.4
67.05473	0.3
69.03423	0.5
69.07055	0.5
69.26297	3.7
70.06561	0.6
75.85191	0.3
76.85121	0.3
78.76997	0.3
79.05441	0.5
81.03378	0.4
81.07022	1.0
83.04955	0.4
84.33816	0.3
84.59382	0.3
85.02847	0.4
91.05492	0.5
93.07027	0.4
95.08562	0.8
97.02891	0.5
98.21507	0.7
103.05470	0.3
105.06992	0.6
106.06403	0.3
107.04929	0.9
107.08550	0.7
109.10095	0.3
117.06975	0.4
121.06499	0.3
121.10123	0.5
127.03889	0.4
137.05945	0.5
163.03893	0.5
167.07007	1.1
173.05962	0.7
215.11238	0.3
220.23218	0.4
240.12439	0.4
241.13297	0.5
245.12369	0.7
289.37280	0.3
365.26086	0.6
373.22519	0.9
391.23810	1.7
409.25546	100.0
410.25766	1.4
427.25308	0.5
487.96671	0.3
571.29834	1.3
613.31915	16.3
625.22412	0.4
657.30890	63.8
658.31085	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84167	2.7
72.80403	2.5
98.20728	8.0
152.26953	3.2
233.10420	2.9
274.13110	3.2
363.16583	2.8
377.18213	4.5
379.19196	3.3
391.19128	6.8
393.20819	4.1
407.17941	3.9
407.22726	3.4
408.19012	3.8
409.20444	7.9
421.19745	6.7
422.21088	5.1
423.21902	18.9
424.21979	3.1
435.21783	7.3
436.22653	6.6
437.23535	3.4
446.20798	3.8
447.21863	3.5
449.23367	3.1
450.24176	6.0
451.20981	6.4
454.20270	6.6
461.23007	5.6
463.21155	5.6
467.24426	4.8
468.24921	3.7
477.22620	7.2
478.23727	3.5
479.24991	5.7
493.21664	5.1
494.25491	5.6
495.23788	12.3
496.24716	4.1
503.00974	3.3
508.24716	16.0
509.25351	12.4
510.26511	14.4
511.27267	14.2
521.25232	8.1
522.26147	5.1
523.22949	3.6
537.25031	26.8
538.25854	13.2
553.27606	10.3
565.24310	5.8
570.28119	8.1
581.27704	23.3
583.25195	6.2
597.27063	56.2
598.27356	8.3
607.25092	3.1
613.30219	73.7
614.30164	4.0
625.26501	100.0
626.26697	4.2
657.28638	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	657.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82519	1.9
63.95191	1.8
64.47267	1.7
83.42822	1.8
93.87173	1.7
97.10152	1.9
105.85664	1.8
147.85034	1.8
223.12363	2.0
229.34467	2.3
235.12560	2.3
246.30174	1.8
249.13852	1.9
261.13922	3.1
272.12082	1.8
275.15207	2.2
287.15332	2.0
288.15530	2.0
314.16705	2.4
318.16031	3.2
326.16513	2.0
338.16409	3.0
362.15790	2.4
363.16409	3.1
365.17966	3.5
377.17532	4.0
378.18530	1.9
379.19305	4.5
389.17871	3.6
390.19235	4.1
391.19370	3.8
392.20346	2.2
393.20911	4.5
394.17664	2.6
395.18832	2.7
402.19760	2.6
405.21179	3.8
406.22189	2.6
407.18573	4.9
407.22952	2.5
408.19418	5.7
409.20096	6.4
417.16913	2.8
421.20023	6.7
421.24588	3.7
422.20609	3.1
423.21976	22.5
433.20010	5.4
435.21838	7.3
436.22495	6.9
437.23621	3.6
446.21265	3.3
449.18762	2.8
449.24054	3.4
450.24203	3.6
451.21295	9.2
454.20273	5.5
461.23959	10.7
462.20691	2.8
463.21262	6.1
465.22681	7.2
466.23526	2.0
467.24213	5.6
468.24557	5.7
477.22665	7.4
478.23856	4.7
479.24905	8.7
481.22180	5.6
493.21387	10.0
494.26382	5.5
495.23615	17.3
496.24472	6.1
507.24188	3.5
508.24924	20.1
509.25928	14.9
510.26639	15.3
511.27435	16.5
516.24646	2.1
519.23499	3.0
521.25201	7.9
522.26044	6.0
523.23358	8.1
526.28735	2.2
537.24915	20.6
538.26019	12.1
549.24646	3.5
553.28455	14.1
555.25879	3.9
565.23730	4.5
570.28174	4.3
581.27588	29.6
583.25305	6.2
597.27106	54.9
598.27863	9.3
607.25305	5.0
613.30200	86.3
625.26569	100.0
626.26782	3.3
657.28979	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	655.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28975	2.7
52.23778	2.8
55.05499	5.2
57.03459	4.1
57.07074	29.9
57.81411	3.0
61.02900	6.1
64.11331	3.1
67.05495	12.7
69.07057	7.8
71.08625	23.7
71.42052	6.3
76.88710	2.9
78.90889	3.3
79.05429	4.1
81.07056	18.3
83.08607	8.9
83.63757	3.0
85.02885	10.4
85.10168	12.9
91.03947	7.4
91.05520	3.4
93.07020	3.4
95.08626	23.0
95.09213	5.1
97.02895	4.0
97.10168	8.8
102.07631	3.5
109.10141	8.8
149.02261	3.4
157.57738	2.9
168.81348	3.6
200.43631	3.3
239.23691	25.3
257.24695	5.6
313.27347	100.0
331.28378	15.8
343.48123	3.5
396.32535	3.7
577.24347	5.4
655.27216	6.3
655.39240	5.6
656.29242	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	652.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77108	1.1
53.03931	2.1
55.01857	2.9
55.05518	7.8
57.03433	2.1
57.07065	4.1
61.02915	1.8
67.05499	12.4
68.76275	0.8
69.03420	8.3
69.07068	24.0
70.06599	2.0
70.61599	1.8
70.61971	2.1
71.04978	2.9
71.08630	1.7
73.02914	1.5
79.05492	9.8
80.22818	0.9
81.03423	11.1
81.07054	46.2
83.04972	5.4
83.08604	7.6
85.02904	10.1
85.06537	5.7
87.00822	4.3
88.43144	0.9
91.05474	6.6
92.15592	0.8
93.07036	23.8
95.04934	2.7
95.08604	31.9
97.02882	5.5
97.06500	5.2
97.10161	9.6
98.20818	1.2
99.04455	10.7
99.08068	1.7
101.06004	2.3
105.01939	1.8
105.07023	18.9
107.04961	2.0
107.08588	30.1
109.02860	5.2
109.06522	11.3
109.10155	25.2
111.08074	4.4
111.11709	4.0
115.07554	0.9
117.05486	1.3
117.07019	1.5
119.08577	15.5
119.59656	0.9
121.06477	2.1
121.10136	23.5
123.08070	10.4
123.11698	31.0
125.05946	1.3
125.09637	6.2
127.03915	6.5
127.07571	7.7
129.06978	1.2
131.08557	4.2
133.06482	1.6
133.10133	20.5
135.08057	2.9
135.11691	25.4
137.05980	2.1
137.09619	3.7
137.13251	5.5
139.07492	1.4
139.11185	5.8
141.12738	1.5
142.07851	1.0
143.08553	2.1
145.05013	1.0
145.10118	8.1
147.08069	2.1
147.11682	29.6
149.09593	4.0
149.13252	17.2
151.07593	1.2
151.11176	48.5
151.14777	2.6
153.09097	2.3
153.12735	10.2
157.10150	3.8
157.12201	1.9
159.02895	2.6
159.11684	9.6
161.09669	2.8
161.13220	7.5
163.03905	2.4
163.11212	6.2
163.14790	4.6
165.12756	11.7
165.16397	1.2
167.10655	3.2
167.14314	1.2
169.12297	2.1
171.11688	3.5
171.13824	1.0
173.13278	5.0
175.11206	8.4
175.14777	4.8
177.12756	5.2
177.16403	2.2
179.10670	13.6
179.14349	1.2
180.49144	0.8
181.12184	5.6
183.13828	3.9
185.13220	2.6
187.13260	2.6
187.14848	2.0
189.12744	6.1
189.16364	4.1
191.14270	3.0
191.17943	3.5
193.12244	15.5
195.13786	4.9
199.13243	1.3
199.14862	3.5
200.98866	0.9
201.16418	5.2
207.13829	13.1
207.17406	2.7
209.15401	1.4
213.03894	1.4
213.16447	1.3
217.15865	3.1
219.17395	3.0
221.15375	1.5
227.14352	1.0
229.14316	2.8
235.16888	4.8
241.21614	1.3
245.22734	2.6
249.18633	1.5
253.17982	1.0
259.24197	1.5
269.22690	6.8
277.25430	1.6
279.21088	1.7
283.15118	1.1
287.23770	7.8
296.62662	1.0
297.22031	5.8
305.24738	38.1
315.23151	24.8
323.22629	1.4
323.25784	73.6
333.24225	100.0
351.25290	81.8
369.26318	24.1
387.27365	10.1
417.15918	1.3
537.30634	2.8
563.28790	5.8
581.29559	9.4
599.29712	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67618	2.9
51.37672	2.8
52.96861	3.0
53.03934	8.1
55.01860	3.7
55.05507	28.7
57.03439	8.1
59.04996	3.6
65.03917	3.9
67.05500	100.0
69.03426	21.7
69.07051	16.9
71.04978	3.2
71.60848	4.8
79.05486	31.7
81.03413	50.1
81.07051	59.6
83.04974	15.5
83.08613	13.3
83.42939	3.3
85.06532	5.7
91.05488	29.4
93.07040	35.6
94.55417	2.9
95.04988	8.8
95.08596	39.1
97.02880	13.6
97.06527	3.0
97.10146	13.9
99.04438	5.4
105.07031	22.3
107.08586	23.4
109.02888	6.6
109.06495	5.0
109.10152	57.1
111.04443	6.5
111.08065	4.9
117.07009	13.3
119.08569	17.5
121.10118	16.1
123.08023	4.3
123.11675	5.6
125.09636	11.9
127.03911	9.3
129.05472	8.1
129.07001	5.8
131.08565	13.3
133.10118	13.1
135.08075	6.2
135.11697	7.7
137.09700	3.2
143.08569	7.7
145.10104	14.6
147.11678	7.4
149.13229	6.1
152.97754	4.3
157.10115	8.1
159.11668	11.7
161.09569	3.7
161.13271	9.4
169.10052	5.0
171.11722	8.0
173.09543	3.6
173.11728	15.2
173.13153	6.0
185.13226	6.0
189.11172	13.3
189.12718	4.1
194.72122	3.4
199.14709	5.5
213.14821	4.3
217.19791	3.0
227.12749	14.5
229.14333	27.2
229.67932	3.3
255.36353	3.2
259.20477	4.0
261.21976	5.2
335.25854	4.9
337.27234	9.4
351.22949	6.3
369.24118	12.2
371.16891	4.2
373.18512	5.2
387.25238	7.2
479.29855	4.5
489.35770	7.4
507.36984	4.2
597.37518	4.3
615.38708	6.4
633.39465	14.9
651.40912	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	651.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.6
55.05510	33.1
57.03434	9.4
57.07073	2.4
59.04996	2.3
65.03941	2.7
67.05503	100.0
69.03427	25.1
69.07066	16.8
69.44794	5.2
69.45205	11.9
71.04989	8.2
77.58813	1.9
79.05484	37.0
81.03415	59.7
81.07055	57.1
83.04982	27.9
83.08617	16.0
85.02898	4.4
85.06514	2.2
91.05482	27.0
93.07041	34.6
95.04971	9.7
95.08043	3.2
95.08608	41.4
97.02901	21.6
97.06556	5.6
97.10177	14.6
99.04469	5.7
99.08037	2.0
101.61861	1.8
105.07023	23.1
107.04970	2.2
107.08598	23.0
109.02875	8.2
109.06506	4.4
109.10149	53.4
111.04416	9.5
111.08096	2.9
117.07018	12.4
119.08570	18.6
121.06496	3.6
121.10149	16.6
123.08073	2.4
123.11705	7.0
125.09598	12.9
127.03922	12.3
128.06143	2.3
129.05458	14.6
129.07024	6.2
131.08560	12.9
132.35100	1.8
133.10143	12.9
135.08064	4.3
135.11674	11.7
137.09613	4.4
139.11180	2.1
141.06929	2.2
143.08548	6.5
143.10690	1.9
145.10103	11.5
147.11684	11.1
149.09654	2.8
149.13234	3.7
153.09180	2.8
155.08597	3.6
155.10631	4.6
157.10112	7.2
159.11726	8.1
161.13251	3.5
163.11086	2.7
163.14859	2.5
169.10085	3.7
171.10245	2.8
171.11682	6.8
173.09604	2.4
173.11745	17.9
173.13310	7.3
175.11223	2.6
175.14847	2.6
181.10139	2.3
183.11740	2.8
185.09615	1.9
185.13248	4.6
187.11089	3.9
187.14784	2.7
189.11221	13.8
227.12746	18.4
229.14307	22.6
245.13853	5.0
261.22116	7.9
263.23822	4.4
288.49673	2.1
299.14908	3.3
301.21576	5.8
315.23242	2.8
319.22742	2.9
327.22839	2.1
333.24164	2.9
335.25766	9.7
337.27322	15.1
341.25064	2.5
345.24283	3.9
351.23294	5.7
369.24225	10.9
371.16956	7.1
371.25800	2.5
373.18591	6.2
387.25504	6.4
389.27100	3.0
405.26288	5.2
443.27979	2.7
461.28995	5.3
479.30368	2.8
489.35785	7.3
507.37027	5.9
559.36157	2.6
597.38007	5.3
615.38629	7.2
633.39783	20.3
651.40881	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.5
55.01859	4.9
55.05502	31.1
57.03424	8.4
57.07061	2.0
60.61702	1.9
65.03931	4.2
67.05502	94.4
69.03425	18.6
69.07060	16.0
69.66885	16.9
71.04980	7.3
73.84880	2.3
79.05481	25.2
81.03410	42.6
81.07053	52.8
83.04983	15.1
83.08605	14.2
85.02900	7.0
91.05476	25.7
93.07032	29.9
95.04954	8.2
95.08599	35.7
97.02889	16.5
97.06552	4.0
97.10148	13.8
98.21503	3.0
99.04421	5.0
100.71706	2.2
105.07031	16.4
107.04926	4.8
107.08595	20.4
109.02870	6.9
109.06529	5.7
109.10146	58.2
111.04422	6.4
111.08042	4.5
117.06995	13.1
119.08569	11.7
121.10115	11.9
123.08033	3.4
123.11703	4.8
125.09624	14.1
127.03883	9.3
128.06200	3.0
129.05446	7.5
129.06998	6.5
131.08562	11.1
133.06456	2.4
133.10095	9.0
135.08038	5.6
135.11688	7.3
137.09589	5.5
137.13280	2.8
143.08510	8.1
145.10112	9.1
147.07965	5.1
147.11658	7.6
149.09583	2.2
149.13220	5.9
150.45325	2.4
157.10088	6.2
159.07997	2.5
159.11691	7.8
161.13242	2.6
163.14745	2.2
169.10054	4.4
171.10284	2.5
171.11694	5.6
173.11696	14.8
173.13245	6.2
175.14772	3.2
176.35413	2.2
185.13287	3.7
189.11197	11.4
193.12114	2.2
198.31654	2.2
213.05927	2.5
226.71419	2.6
227.12737	17.8
229.14322	31.7
243.21063	3.0
245.13658	4.2
258.69272	2.8
259.20541	2.9
261.22223	6.0
263.23654	3.5
287.63528	2.3
289.21567	3.0
299.14706	4.7
301.21497	3.6
327.23148	3.2
335.25992	5.8
337.27261	10.7
351.22964	4.2
357.24243	2.5
369.24033	7.8
371.17032	7.1
373.18527	3.5
387.25284	7.5
405.26233	4.3
461.28564	2.8
489.35284	4.0
569.85016	2.7
597.37445	4.7
633.39752	18.3
651.40436	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.2
55.01865	4.8
55.05507	31.7
55.67828	2.2
55.98566	1.8
57.03432	12.1
57.87249	1.9
65.03927	3.9
67.05499	100.0
69.03425	23.3
69.07066	18.5
69.81165	1.9
70.95648	3.6
71.04987	8.4
73.02911	3.8
79.05486	32.5
81.03413	53.8
81.07048	65.7
83.04976	32.1
83.08610	16.3
85.02898	4.8
85.06521	2.9
91.05469	25.7
93.07036	32.8
95.04982	6.2
95.08598	44.7
97.02887	22.0
97.06538	3.8
97.10158	18.0
99.04465	6.3
99.08057	3.4
103.03838	2.5
105.07024	15.7
107.04996	3.0
107.08600	21.6
109.02888	7.6
109.06535	3.9
109.10145	50.9
111.04426	11.2
113.79093	2.0
115.05464	2.0
117.06972	11.2
119.08568	17.3
121.06491	3.3
121.10142	15.5
123.11680	6.4
125.09609	18.7
127.03906	10.7
127.95479	1.9
128.14288	1.8
129.05467	16.1
129.07001	6.0
129.66788	2.1
131.08560	14.1
133.06487	2.7
133.10104	13.8
135.08047	4.6
135.11696	9.3
137.09666	4.7
137.13254	2.9
143.08594	6.8
145.10126	11.1
147.08093	4.5
147.11694	10.5
149.13260	5.9
155.10693	3.8
157.10193	4.3
159.11754	7.9
161.13254	9.0
163.14812	2.5
171.10245	2.4
171.11676	4.7
173.11737	16.5
173.13171	4.3
179.10680	2.2
185.09662	2.1
185.13306	2.9
186.29318	2.3
187.14830	3.3
189.11191	15.7
189.12726	2.9
197.13266	3.1
199.14812	2.4
201.16435	2.3
227.12711	19.6
227.14580	2.7
227.23096	2.0
229.14311	19.2
245.13812	5.9
261.22134	9.9
263.23764	3.8
291.23044	2.0
301.21527	3.8
303.23108	4.2
304.92792	2.5
313.21729	2.1
323.23596	2.3
335.25848	8.9
337.27383	15.3
345.24069	3.3
351.23114	4.3
369.24286	8.9
371.16940	8.6
373.18552	6.9
380.96204	1.9
387.25089	4.9
405.26303	2.9
461.28812	2.0
489.35715	7.5
507.36777	6.4
597.37689	4.7
615.38885	6.7
633.39825	15.3
651.40594	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	651.26
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03464	2.0
55.05508	2.2
55.52259	1.6
59.62196	2.0
67.55312	2.1
71.16123	3.6
71.16461	2.0
72.04507	11.4
74.02432	38.1
77.10621	1.8
80.26725	1.8
82.02939	7.6
83.04977	22.8
84.04508	3.2
93.15321	2.0
99.05571	49.9
100.03979	16.9
100.07626	3.0
117.06616	6.7
118.05006	24.1
145.06044	13.8
146.03307	3.8
146.04478	94.8
163.07132	100.0
175.24902	1.9
243.97998	1.8
245.11407	3.6
305.98700	1.8
387.48828	2.5
633.06171	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	651.2807
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
55.05493	1.2
61.84222	1.3
64.13536	1.2
67.05489	1.6
68.36607	1.2
69.29099	12.6
81.07030	1.7
91.05470	1.8
93.06999	1.9
95.08615	1.8
98.21468	2.2
109.10105	1.2
113.58651	1.3
114.32004	1.2
167.27089	1.3
297.11829	1.3
336.27350	1.2
391.18900	1.3
399.15942	2.8
400.16803	3.6
401.17542	3.9
407.22064	2.2
413.17517	3.5
414.18173	3.6
415.19553	7.1
427.19632	1.7
428.19864	4.2
429.20697	5.4
430.21530	2.6
441.16757	1.8
442.17340	2.1
443.18011	4.3
443.22684	3.7
443.27701	1.3
444.19296	5.3
445.20657	1.6
447.17880	1.5
457.20139	5.0
458.21371	3.3
471.22296	6.4
472.22275	5.4
473.19681	4.9
474.20425	2.8
485.19547	2.9
486.20508	7.2
487.21072	1.9
488.21603	1.6
490.19855	2.6
499.21240	12.7
500.21790	2.4
502.19778	1.5
503.24115	3.7
516.21387	2.4
517.22241	7.2
527.20447	1.8
531.23938	12.8
540.92865	1.5
541.22339	1.5
549.24597	4.5
559.23334	95.8
560.23737	2.5
587.22882	16.1
597.61853	1.3
619.25452	100.0
620.25684	2.8
651.27777	14.4
651.41937	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	649.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92373	0.8
56.34450	0.8
76.63380	0.9
92.12902	0.8
98.20702	1.6
113.41614	0.9
145.93707	0.8
156.34276	0.8
163.08995	0.9
649.42841	100.0
650.43298	2.5
665.80719	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34006	2.1
52.67105	2.0
53.03940	3.0
55.05493	13.9
62.16156	2.2
67.05497	10.8
69.03426	9.7
69.07066	21.4
70.06595	4.5
70.80666	6.7
79.05490	6.8
81.03412	9.1
81.07054	25.5
83.04979	9.0
83.08643	4.6
84.08144	3.2
85.02911	15.3
86.09719	2.6
87.00828	10.6
91.05474	7.6
93.07033	15.9
95.04962	6.3
95.08589	20.8
97.02892	8.5
97.10155	30.1
99.04450	8.6
105.01865	3.0
105.07014	23.2
107.04946	3.7
107.08586	23.9
109.02859	6.7
109.06512	5.2
109.10164	9.8
111.08075	2.7
111.11738	6.7
119.08595	8.1
121.10137	17.2
123.08071	12.5
123.11701	13.8
125.09648	4.2
127.03906	12.7
127.07482	2.7
131.08577	4.6
133.10129	11.1
135.07961	2.4
135.11684	3.4
137.06064	2.6
137.09566	4.6
139.07617	2.4
139.11185	20.6
143.10713	3.0
145.10132	6.5
147.04399	3.2
147.11674	43.8
149.09642	10.3
149.13229	3.4
151.11166	13.9
153.12920	3.1
157.12267	8.5
159.02957	4.8
159.11699	4.8
161.13287	4.9
163.11182	7.2
164.49591	2.2
165.09050	3.4
165.12730	37.0
167.10680	4.4
171.11656	2.4
175.11186	4.3
177.12779	4.2
179.10771	3.1
179.14342	4.1
181.12173	2.6
189.11194	3.9
191.10570	2.5
193.12230	26.4
195.94318	2.2
203.12834	3.8
205.12352	2.4
207.13885	3.6
229.14331	30.1
230.67072	2.1
243.15936	4.5
267.21078	2.4
285.22147	6.4
290.61328	2.5
295.20676	2.9
303.23099	12.6
313.21622	19.5
321.24268	20.0
331.22678	64.5
349.23679	77.3
362.36130	2.8
367.24753	100.0
459.05304	2.5
663.75299	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	650.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.3
55.01862	3.6
55.05509	7.3
57.03423	2.5
57.07063	3.7
61.02934	5.0
62.75052	1.0
65.03976	1.1
66.05935	1.0
67.05505	16.7
67.37034	0.9
68.99786	1.9
69.03429	22.3
69.07072	15.6
70.06566	0.8
70.58123	3.1
71.04984	3.8
71.08601	0.9
73.02898	3.5
77.03896	1.2
79.05497	13.6
81.03421	16.1
81.07058	86.0
83.08619	4.9
85.02908	73.4
87.00832	35.6
91.04021	1.0
91.05483	7.9
93.07048	47.0
95.04974	2.4
95.08607	42.4
97.02280	1.7
97.02897	26.1
97.10150	4.2
99.04452	7.9
105.01869	75.2
105.07021	4.5
107.08596	28.6
109.02882	22.3
109.06527	1.6
109.10156	28.9
111.11709	2.4
115.03948	1.3
117.01830	1.7
121.10144	100.0
123.11720	12.8
127.03918	63.6
127.04683	1.4
129.01828	2.1
135.11694	16.3
137.13249	4.6
145.04964	25.8
147.02888	1.6
149.13264	34.4
159.02905	8.1
160.25221	1.0
163.14835	2.8
185.75993	1.0
189.03865	2.5
205.19533	23.3
205.42651	1.1
213.03993	7.1
222.22124	1.4
231.05006	28.4
231.07224	2.2
249.06078	16.5
253.07048	3.5
271.07889	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.5
55.01868	7.7
55.05508	9.5
57.03437	7.8
61.02927	6.4
67.05500	33.5
68.99761	3.3
69.03423	25.7
69.07057	16.5
70.06586	4.6
70.47398	6.2
70.47795	7.2
71.04985	3.4
73.02912	3.3
79.05484	25.1
81.03415	25.1
81.07061	52.1
83.04893	3.2
83.08619	7.6
83.37950	3.5
84.08179	3.5
85.02900	100.0
87.00825	32.9
91.05477	45.2
93.07043	75.7
95.04967	13.3
95.08604	77.9
97.02887	34.1
97.10169	5.6
99.04447	9.0
105.01863	67.6
105.07034	70.0
107.04926	7.4
107.08591	67.5
109.02869	27.8
109.10156	40.2
116.98657	3.5
117.06999	5.5
119.08571	51.1
119.09342	4.0
121.10149	44.9
123.11715	12.9
127.03904	63.6
131.08583	5.8
133.10139	36.6
135.11682	6.1
137.06004	4.1
145.04950	28.7
145.10124	3.8
147.11676	57.9
149.13312	3.5
159.02895	8.3
159.11674	7.0
161.13264	18.8
163.14842	9.4
167.07083	5.1
175.14841	13.4
189.03949	8.2
191.06917	3.9
203.17944	97.2
213.03903	5.1
231.04971	24.1
249.05977	18.9
272.03299	4.1
276.16467	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.05505	1.5
55.22697	0.8
56.05033	1.2
56.96555	1.2
57.03438	1.4
60.04512	1.0
61.02895	1.3
67.05505	1.3
69.03417	3.4
69.07058	3.3
69.77781	3.7
69.78191	1.2
70.06593	14.1
71.04985	1.5
72.08142	3.3
73.02895	0.9
79.05499	2.9
81.03436	1.8
81.07054	3.2
83.08636	0.8
84.04484	2.2
84.08136	5.2
85.02896	5.9
86.09692	7.0
87.80634	0.8
88.04012	0.8
91.05464	4.4
93.07039	1.7
95.04985	1.0
95.08593	1.9
97.02902	1.8
97.06514	0.9
98.20750	1.6
98.97584	1.5
105.07022	7.1
107.08603	2.8
109.02877	1.5
109.06519	0.8
109.10126	1.0
110.07183	1.5
116.98672	1.4
117.92747	0.8
119.01910	2.4
119.04958	1.1
119.08578	18.1
120.08096	2.5
121.10150	1.7
127.03947	1.8
129.10272	2.7
133.10146	7.4
134.99593	1.1
135.11655	1.0
136.07579	2.4
137.06035	1.8
143.01828	4.0
143.11836	0.8
145.02808	1.1
145.10179	1.2
146.99844	1.0
147.04425	1.0
147.11716	1.3
155.08221	0.9
161.01761	1.1
161.02928	5.9
161.05971	1.2
163.03915	2.5
167.07021	2.0
175.04546	1.7
175.14784	7.9
177.00699	1.1
177.05421	1.9
185.04410	0.9
187.00864	1.9
203.05338	18.0
203.07066	1.2
204.06718	0.9
205.04726	1.6
215.13968	1.2
216.13838	0.8
219.01840	0.9
229.02013	1.6
230.41315	1.0
237.02829	1.5
245.06404	6.4
289.05292	100.0
303.04852	1.5
331.05188	1.4
349.06168	3.0
377.19321	57.4
378.19678	1.7
395.20865	1.4
428.62430	1.1
435.63574	1.6
436.13544	0.9
463.19321	10.2
557.25800	1.8
599.26660	15.8
643.25616	76.8
644.25598	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	643.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
53.30622	1.9
55.01862	6.8
55.05508	17.2
57.03433	15.5
57.07067	2.6
65.03916	4.0
67.05497	50.6
69.03432	3.6
69.07060	12.2
71.04980	2.9
79.05485	45.1
81.03426	2.5
81.06573	3.7
81.07047	59.4
83.04978	5.6
83.08604	6.8
85.06530	10.1
91.05468	30.2
93.07042	35.0
95.04955	39.6
95.08600	23.9
95.34890	1.5
97.06502	4.7
97.10152	7.2
97.49944	1.7
98.20690	2.6
105.07026	19.5
107.04951	7.9
107.08585	21.9
109.06498	62.6
109.10162	10.8
111.04446	4.1
111.08073	3.6
113.06004	20.2
117.07009	15.8
119.08569	21.1
121.06492	7.4
121.10132	12.5
123.08041	5.2
125.09619	3.4
129.06993	7.7
131.08542	14.9
133.06464	3.4
133.10110	8.8
135.08046	28.3
135.11662	9.3
137.09625	3.5
143.08543	7.8
145.10100	13.5
147.08028	7.1
147.11678	4.2
149.09604	7.2
149.13300	2.5
157.10120	7.0
159.08067	2.2
159.11673	4.1
161.09608	9.0
163.11156	3.6
163.14789	2.9
165.09154	2.5
169.10056	2.0
171.11612	3.4
173.13290	2.4
175.11093	2.5
177.12799	2.6
180.24565	1.7
183.11772	2.7
185.09662	1.9
185.13254	2.4
195.11710	3.4
197.13286	2.1
199.14818	2.6
217.15819	8.0
217.17693	2.1
229.88121	2.2
255.17432	3.9
273.18478	28.9
291.19507	100.0
330.19736	2.1
335.25778	35.3
347.22232	5.2
365.23340	8.6
437.22549	1.7
452.76715	1.8
625.44446	24.1
643.45215	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	643.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83408	1.3
57.34725	1.5
67.05501	2.0
69.83935	2.5
69.84341	9.0
81.07066	3.1
91.97477	1.8
93.07027	1.6
95.08569	1.8
109.10191	1.7
115.92805	1.3
119.08527	1.5
299.61642	1.6
336.00720	1.9
355.14789	1.5
533.21747	1.6
625.44385	1.5
643.25226	100.0
644.25763	3.8
651.41650	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05470	1.7
56.05001	0.7
57.03403	0.8
61.37564	0.5
65.03909	0.7
67.05465	1.1
69.03381	1.9
69.07066	2.1
69.49178	3.7
70.06592	8.1
71.04945	1.1
72.08123	1.3
74.06042	0.8
78.40462	0.4
79.05463	1.4
81.03376	1.4
81.07015	1.8
83.04951	0.8
83.08598	0.5
84.04477	1.2
84.08141	2.7
85.02898	4.6
85.98669	0.4
86.09706	4.0
91.05473	3.4
93.07008	1.7
95.04929	1.2
95.08561	1.7
97.02866	1.3
97.17946	0.5
101.07109	0.5
103.94849	0.5
105.07022	5.4
107.08575	2.2
109.02828	0.6
110.07096	0.6
117.07008	0.9
119.01967	2.1
119.08572	18.4
120.08052	1.1
120.08865	0.6
121.10091	1.8
123.04450	0.4
127.03832	1.3
129.10213	1.3
133.09215	0.6
133.10129	5.7
135.04330	0.6
135.11647	0.8
136.07533	1.4
143.01843	2.8
145.10136	0.7
146.04410	0.6
147.04385	0.7
147.11642	1.4
157.03458	1.2
161.02942	6.5
161.05998	0.6
163.03877	1.7
167.06949	1.0
173.02963	1.1
175.04533	1.0
175.14815	7.1
177.05467	1.0
181.04973	0.8
185.02858	0.6
187.00839	1.3
193.04922	0.5
201.03622	0.5
203.05301	17.0
205.04767	0.7
207.06570	0.7
211.00673	0.6
215.13927	0.5
221.04887	0.5
227.05331	0.5
229.01913	1.6
237.02924	0.6
245.06389	5.7
271.04041	0.7
287.03683	0.6
289.05283	100.0
290.05716	0.9
303.05032	0.5
331.05042	1.0
349.06177	1.9
377.19318	61.1
378.19711	2.1
395.20157	1.4
409.08517	0.8
414.90021	0.5
427.16519	0.6
437.20627	0.5
463.19302	7.5
481.20258	1.2
557.25470	2.4
599.26691	19.0
600.26624	0.7
641.35223	0.5
643.25659	66.4
644.25769	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91759	1.3
55.05510	1.9
57.07075	32.7
69.07056	3.3
71.08631	32.6
73.06550	9.2
81.07038	1.4
83.08623	5.4
85.10181	20.8
87.04481	8.2
87.32051	1.1
89.06030	100.0
97.10175	5.7
97.95705	1.1
99.11729	3.3
107.07074	5.0
111.11698	3.2
113.13304	1.2
117.09106	5.7
125.13274	1.8
127.14813	1.7
130.08658	4.9
133.08600	46.2
155.17944	2.1
161.11697	1.2
175.09581	1.2
177.09807	1.9
177.11224	19.7
206.92892	1.1
211.24257	1.5
221.13817	3.1
235.91463	1.0
239.14867	2.5
255.26862	2.6
299.29419	6.2
310.59546	1.3
343.32053	2.9
415.25266	4.0
549.84857	1.5
625.48615	4.4
643.25079	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	643.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.9
58.38415	0.5
65.56932	0.4
67.05492	1.0
69.66194	3.2
79.05459	0.6
81.07034	1.3
89.58757	0.4
91.05487	0.7
93.07056	0.5
95.08598	0.5
99.08121	0.4
107.08582	0.5
115.46089	0.5
150.85687	0.4
166.32350	0.4
240.39110	0.4
396.12100	1.2
397.12900	2.0
398.13614	1.0
410.13721	3.5
411.14441	6.4
412.15350	4.1
413.15924	2.7
423.14719	1.8
424.10474	0.8
424.16129	3.1
425.16205	12.9
426.16901	10.3
427.17410	2.8
428.18408	2.1
432.26062	0.6
437.16565	1.1
438.12350	3.7
438.17960	1.0
439.13461	14.6
440.18927	5.3
441.19272	37.6
442.19498	1.8
443.17899	0.6
451.13843	0.9
452.14282	3.8
453.15292	19.0
454.15985	5.0
457.15158	1.2
459.20782	0.5
464.58289	0.5
465.15744	0.6
466.17212	0.6
467.17093	25.3
468.17877	14.9
469.18799	13.1
470.19061	0.9
471.16403	1.5
472.17624	0.7
480.16742	1.4
481.14691	15.7
482.15460	2.7
483.16574	0.6
485.18262	1.3
495.16751	2.4
495.21545	0.5
496.17154	12.8
497.17865	1.9
499.20386	1.0
509.18298	2.6
512.20673	1.1
514.22784	2.3
522.18073	0.5
523.19617	1.8
527.23425	3.3
539.18921	0.6
540.19922	0.7
542.21564	1.2
551.19513	0.7
555.22351	31.5
556.22498	1.6
573.23206	0.5
583.21875	100.0
584.22162	5.2
587.24969	2.4
611.21143	1.3
614.24182	1.0
615.24463	12.6
616.24506	0.6
643.23877	62.7
644.23816	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.0
53.03941	3.8
55.01855	4.8
55.05510	24.7
56.96566	2.7
57.03421	8.4
59.01539	1.7
61.02645	1.6
61.02925	22.0
65.03935	3.7
67.05502	46.3
69.03409	6.3
69.07066	22.9
70.06564	2.4
71.04971	6.8
71.58894	1.4
72.02788	1.6
73.02889	9.2
79.05063	2.3
79.05492	36.1
80.01821	1.6
81.03400	7.4
81.07058	49.9
83.04958	2.6
83.08617	17.2
84.08171	2.0
85.02895	17.4
85.06522	2.8
91.03965	8.9
91.05479	61.3
93.07048	35.5
95.04967	10.1
95.08606	30.8
97.02882	11.2
97.06519	9.8
97.10168	5.4
99.04462	2.1
103.03987	1.9
103.05467	4.4
105.06384	3.5
105.07032	45.6
107.04950	13.9
107.08591	23.0
109.02834	1.7
109.06548	8.4
109.10159	11.0
111.04441	1.9
111.08058	4.8
115.05453	6.2
117.06209	3.1
117.07006	43.2
119.04956	4.3
119.08572	23.0
121.06494	5.6
121.10135	13.4
123.08039	6.5
125.09665	4.0
127.03896	4.1
128.06227	10.0
129.06996	47.2
130.07767	3.1
131.04926	5.1
131.08566	59.2
133.06454	7.3
133.10114	17.7
135.08064	5.5
135.11659	7.1
137.05939	3.7
137.09659	2.6
139.11142	2.4
141.06984	17.6
142.07767	4.8
143.08562	41.0
144.09267	1.7
145.06509	8.7
145.10126	24.2
147.04398	2.7
147.08029	7.7
147.11685	7.3
149.05966	2.0
149.09644	8.7
149.13280	2.6
151.11111	2.1
153.07013	3.7
154.07759	3.3
155.08559	30.5
157.06461	4.1
157.10135	19.5
159.08038	7.8
159.11673	15.5
161.05916	3.4
161.09636	5.5
163.03955	3.3
163.11172	4.6
165.06996	6.0
165.09146	2.0
166.07722	3.0
167.07045	8.1
167.08548	13.3
169.10107	15.7
171.08138	3.1
171.11661	13.5
173.06024	2.1
173.09630	4.3
173.13237	4.7
175.09669	3.2
175.11154	4.5
177.12752	5.0
179.08545	6.7
180.09311	2.7
181.04944	7.6
181.10109	15.0
183.08125	2.2
183.11694	9.3
185.09590	3.6
185.13293	9.9
187.11179	3.3
187.14851	3.1
189.11038	1.7
189.12683	2.0
193.10144	7.4
195.11707	18.6
197.13266	8.0
199.11191	2.7
199.14828	3.6
201.12726	4.5
207.11671	6.5
207.13690	2.1
209.13206	6.1
211.11357	2.3
211.14774	7.9
213.12741	3.7
213.16287	3.7
219.13783	2.0
221.13287	13.3
223.14832	13.5
225.12794	4.5
225.16441	3.1
227.14352	3.3
229.14151	2.7
231.13766	2.6
231.17299	2.5
233.13216	3.2
233.15344	6.6
235.14835	9.4
235.63219	1.7
237.02701	2.6
237.12695	3.2
239.14218	8.7
241.16008	3.4
247.14865	2.4
249.16499	2.4
253.15799	6.0
255.17412	2.1
257.15414	9.5
257.18127	1.6
259.17007	3.9
271.16953	8.0
285.18430	4.5
309.36920	1.9
323.23761	8.9
333.22147	18.9
341.24652	12.6
351.23163	62.2
369.24237	54.3
370.24353	1.9
387.20197	2.7
387.25272	49.9
393.22049	3.2
393.26608	2.1
405.26746	2.1
417.15485	2.4
425.26849	2.5
443.27945	36.4
461.29007	100.0
479.30093	13.8
555.30902	4.9
597.32703	17.3
597.95496	1.9
641.31769	37.2
652.49738	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.7
53.06511	1.8
55.01856	6.9
55.05506	28.2
56.96564	3.1
57.03430	11.3
57.07095	1.9
59.04980	2.0
61.02921	29.8
63.79022	1.9
65.03935	3.7
67.05500	58.1
69.03425	11.4
69.07066	28.2
70.06587	3.1
70.99684	3.3
71.00042	3.3
71.04982	5.7
73.02914	11.3
79.05487	56.5
81.03411	6.8
81.07054	63.6
83.04977	6.7
83.08621	23.0
85.02898	28.5
85.06532	6.3
87.04452	2.2
91.03966	15.6
91.05476	68.1
93.07036	46.1
95.04980	13.2
95.08604	38.4
97.02896	17.1
97.06538	11.5
97.10174	5.5
99.04449	2.2
99.08043	3.0
103.05470	3.2
105.07024	53.8
107.04951	12.6
107.08593	23.2
109.02836	3.0
109.06501	12.5
109.10151	16.1
111.04377	2.6
111.08078	7.1
115.05445	11.0
117.07005	48.2
119.04919	3.1
119.08572	29.9
121.06495	13.2
121.10117	15.0
123.08058	7.1
125.09629	5.0
127.03923	4.3
128.06219	12.0
129.06992	56.1
130.07767	2.6
131.04910	4.1
131.08557	68.0
133.06493	13.1
133.10107	20.2
135.08041	10.9
135.11702	9.6
137.05959	3.4
137.09613	2.8
139.11185	2.9
141.06995	23.6
142.07796	6.4
143.08549	40.9
145.04956	2.1
145.05444	2.3
145.06458	14.1
145.10120	34.3
147.08063	10.2
147.11691	7.4
149.09599	13.3
151.11192	4.3
153.07008	6.5
154.07790	4.0
155.08539	41.9
157.06560	3.9
157.10103	23.0
159.08095	6.9
159.11685	22.7
161.05986	3.6
161.09616	6.5
161.13298	3.2
163.03842	2.4
163.07445	2.7
163.11188	6.0
165.07027	3.8
165.09105	4.9
165.12848	2.8
166.07736	3.3
167.07050	9.0
167.08578	21.4
168.09358	2.7
169.10135	22.0
171.08043	7.8
171.11693	17.5
173.09604	5.7
173.13289	8.4
175.09776	2.9
175.11194	7.3
176.74271	2.1
177.12737	10.6
178.07849	2.4
179.07167	2.1
179.08557	9.0
179.14363	2.4
180.09352	2.5
181.04936	5.3
181.10110	19.4
183.11690	14.3
185.09685	3.5
185.13248	12.5
187.11127	4.1
187.14845	2.9
189.12691	3.4
191.10756	3.0
193.10143	9.4
193.12141	2.6
195.11690	25.3
195.13510	3.8
197.09607	4.2
197.13293	13.3
199.11145	7.6
199.14819	7.1
201.12766	3.9
203.14476	2.7
205.10051	3.6
205.12140	2.2
207.11697	10.8
209.13293	11.6
211.14806	8.3
213.12714	6.4
213.16486	4.9
215.14261	6.4
217.12260	4.0
219.11742	3.8
221.13220	16.2
223.14859	15.2
225.12816	5.3
225.16348	4.7
227.14397	3.1
229.15958	5.4
231.13840	2.7
233.13339	3.4
233.15387	3.4
235.14838	8.5
237.16380	5.8
239.14249	9.3
241.15828	6.4
243.13820	4.1
243.17485	3.7
245.15521	2.2
247.12979	2.3
247.17039	2.4
249.16351	4.2
253.15907	6.2
257.15280	4.8
259.17075	4.6
267.17517	2.6
269.15143	3.9
271.16840	11.5
275.16467	3.8
285.18561	4.3
303.19370	2.5
305.22540	2.7
307.19156	8.6
315.21118	4.4
323.23682	13.3
333.22116	30.3
341.24820	15.1
351.23160	93.5
359.25616	2.9
369.24216	81.9
387.25320	48.5
408.49826	2.3
425.26917	5.8
443.27939	71.4
461.28961	100.0
479.29965	26.7
494.19446	2.3
582.55511	2.4
641.32220	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	641.1715
Annotation	Isorhamnetin 3-glucosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
53.03938	0.3
55.01864	0.4
56.05009	0.1
57.03434	0.7
59.04991	0.1
60.04511	0.1
60.95032	0.1
61.02671	0.1
61.02927	1.1
65.03943	0.1
68.16332	0.1
68.99809	0.1
69.03428	2.5
69.77061	0.3
69.77492	0.3
70.06586	0.6
71.04988	0.5
72.08156	0.2
73.02903	0.3
74.06068	0.1
81.03424	1.2
84.04488	0.3
84.08143	1.1
85.02904	6.8
86.09723	0.1
87.04462	0.4
91.03951	0.4
91.05473	0.2
92.02615	0.5
93.03418	0.6
94.61961	0.1
95.04982	0.2
97.02888	2.3
99.04450	0.4
109.02853	0.7
111.00777	0.1
118.06536	0.1
119.04935	0.1
120.08107	0.3
121.02885	0.8
123.04437	0.1
126.03156	0.2
127.03912	1.7
129.10242	0.4
130.08682	0.1
134.99490	0.1
136.07574	0.2
137.02364	0.3
139.03914	0.7
139.08702	0.1
145.04976	0.9
146.05978	0.2
149.02361	0.1
151.03917	0.8
153.01826	5.0
155.08151	0.2
163.03893	0.2
165.01839	0.6
166.02679	0.1
171.02756	0.1
176.04591	0.1
177.05496	0.3
183.02928	0.3
200.04761	0.2
201.05479	0.6
203.03311	0.2
217.05016	0.5
218.05774	0.5
219.02950	0.2
228.04156	0.9
229.04961	2.3
231.02957	0.2
233.04469	0.1
245.04425	0.6
246.05290	1.2
256.03723	0.2
257.04446	1.9
260.03189	0.3
261.07584	0.3
265.72183	0.1
271.06015	0.2
273.03900	1.4
274.04718	3.7
275.10437	0.1
284.03165	0.4
285.03952	3.7
286.04541	0.1
288.06213	0.1
301.03531	0.1
302.04218	11.2
303.04977	0.1
317.06552	100.0
318.06836	0.8
329.06467	0.1
333.06113	0.9
333.11786	0.2
359.07709	0.2
479.11819	6.6
623.28198	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14968	0.8
56.96554	12.2
59.70325	0.7
62.22354	0.8
69.03442	0.9
74.97613	1.1
83.97640	1.5
84.96029	4.0
85.99188	1.1
86.64894	0.7
97.99224	0.9
98.97569	22.0
98.98181	1.4
99.04491	0.9
102.97045	1.0
109.99148	10.9
109.99854	0.8
110.97547	7.8
114.15073	0.8
116.98606	12.2
128.00198	31.7
128.98610	15.2
128.99608	1.3
129.98128	1.9
134.99637	5.7
140.00192	1.1
140.98552	2.1
143.00169	3.8
146.01244	33.4
146.99649	11.9
147.99210	2.0
155.00145	2.2
155.01257	24.5
155.99664	1.6
157.02809	1.3
157.04576	1.7
158.01239	1.4
158.99623	7.1
161.01189	6.8
164.02289	8.1
165.00746	1.7
170.99643	6.2
172.02794	1.1
173.01212	3.5
173.02351	66.0
174.00740	1.5
174.99147	1.0
177.00717	9.0
180.03304	1.0
182.99620	2.7
183.00940	1.9
183.99190	2.1
184.02818	1.4
189.00671	10.6
190.00232	3.5
191.03415	13.7
192.03351	1.1
197.02321	2.6
200.02328	1.4
201.00456	18.8
201.02147	3.3
202.00220	3.7
208.02794	3.0
210.04333	1.5
211.98001	1.2
213.00781	1.6
215.03529	2.4
216.01695	1.1
219.01591	12.0
219.02930	18.4
223.03680	1.0
224.02271	1.2
225.05319	1.0
226.03798	5.1
228.01807	1.1
229.23592	0.9
230.06326	0.9
231.01773	3.8
236.02309	2.3
237.04128	17.2
243.03012	30.5
244.05000	1.4
251.03413	1.5
253.04895	12.2
254.03427	1.9
255.02896	7.6
261.02667	32.0
262.02509	1.1
263.03375	2.0
269.04367	3.6
271.05997	1.2
273.03534	3.7
274.02280	1.6
279.03833	19.6
280.03616	1.0
281.04401	17.2
283.08884	1.5
285.03925	1.4
287.05124	1.9
291.03830	5.4
292.03152	1.1
297.04370	1.1
299.05469	31.1
311.05264	2.0
315.05319	1.3
317.06540	25.6
321.04889	14.6
323.05548	1.7
327.04553	1.3
333.04953	2.3
335.07596	4.3
341.06540	100.0
345.06079	2.6
346.04449	3.4
351.05957	3.8
353.06610	7.6
359.07596	18.9
363.07016	1.3
364.05429	5.8
371.07629	18.1
381.07114	3.9
382.09122	1.6
385.09274	1.0
388.05457	11.6
389.08521	5.2
399.08011	6.4
401.08624	10.7
406.06506	3.9
409.12021	1.1
418.06516	8.1
419.09479	1.4
425.08701	3.7
427.27371	0.9
431.09787	4.1
436.07852	1.6
443.09705	14.8
455.55902	1.1
461.10730	4.4
479.11554	4.9
503.12131	2.0
508.09698	12.8
518.80023	1.1
525.12012	1.3
526.10608	3.3
535.42987	1.0
623.16180	5.8
641.17096	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	641.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29768	0.6
55.87815	0.8
56.01104	0.9
56.08217	0.7
56.96562	12.7
58.91213	0.7
68.96642	0.7
69.03419	1.3
70.28468	2.8
81.03446	1.6
83.97641	1.8
84.96034	3.1
98.97575	18.3
98.98179	1.1
101.62612	0.7
101.98627	0.8
109.99163	10.7
110.97584	6.6
116.98620	14.3
128.00208	28.7
128.98611	15.6
128.99626	1.2
129.98123	2.6
134.99638	5.4
140.98555	0.9
143.00163	3.3
146.01245	41.0
146.99651	12.9
147.00760	1.2
147.99144	1.8
153.00809	0.9
154.01837	1.1
155.00127	1.9
155.01260	22.2
157.04588	2.6
158.01244	1.6
158.99609	4.8
161.01241	5.6
164.02287	9.1
165.00677	1.1
169.02907	0.9
170.99657	6.5
172.02808	2.3
173.01215	2.6
173.02357	64.1
174.00743	0.9
174.99170	1.6
177.00694	8.2
179.02301	1.0
182.99570	2.2
183.00888	2.1
183.99260	1.7
184.02902	1.2
189.00702	9.3
190.00235	2.0
191.03410	15.8
195.01790	0.8
197.02493	1.1
198.04388	1.4
199.02786	0.9
200.02278	1.1
201.00475	19.6
202.00154	4.1
207.01897	1.8
208.02818	2.1
210.04305	1.1
212.02332	1.0
213.00671	1.5
215.03416	3.4
216.01862	0.9
219.01605	9.9
219.02966	18.2
220.01329	1.2
221.03577	0.8
223.03831	0.9
224.02208	1.0
225.05450	1.3
226.03995	3.7
228.01741	1.3
231.01703	2.9
235.03859	1.1
237.03833	13.2
243.03076	24.3
244.01227	0.9
253.04955	11.8
254.03371	1.5
255.02881	5.8
261.02667	28.5
262.02472	1.7
263.03445	2.7
269.04434	3.0
273.03787	3.6
274.02341	1.3
279.03851	18.2
281.04437	19.2
283.08612	2.4
285.04282	1.1
287.05307	0.9
291.03891	6.2
292.03543	1.0
297.03879	1.1
299.05508	26.3
302.05798	1.3
311.05396	1.7
315.04871	0.9
317.06552	22.5
321.04916	13.8
333.04980	2.6
335.07770	4.2
341.06558	100.0
342.06940	1.8
345.06030	3.1
346.04453	4.1
351.05905	4.9
353.06543	7.6
359.07593	19.8
364.05353	5.0
371.07629	17.0
381.07074	3.1
381.11578	0.9
382.09091	1.4
383.07266	1.0
388.05511	11.5
389.08289	3.1
395.16229	1.0
399.08234	4.7
401.08652	11.8
406.06577	3.1
409.12225	1.0
413.08701	1.4
418.06650	7.6
419.09619	2.8
425.08658	3.1
431.09717	4.0
436.07367	2.1
443.09747	13.7
461.10678	4.4
479.11737	3.9
503.11868	2.1
508.09750	12.2
525.11871	1.2
526.10828	4.8
623.15723	3.4
641.17291	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	640.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
54.86929	0.7
55.05507	5.2
57.03423	1.4
57.07059	1.4
62.06085	0.9
65.03944	1.0
67.05501	18.9
69.07063	7.9
69.33570	3.6
69.34007	3.2
71.04974	0.8
79.05486	23.3
81.07053	18.1
83.04955	0.9
83.08579	1.4
91.05472	13.7
92.05849	0.8
93.07037	25.5
95.04961	8.7
95.08601	7.5
98.06007	0.8
98.98472	0.7
99.19466	0.8
103.05421	1.0
105.07039	7.8
107.04949	10.9
107.08588	14.7
109.06518	12.3
109.10145	2.1
117.07008	7.2
119.08576	7.8
121.06496	11.5
121.10132	2.5
123.11649	0.8
124.11214	0.8
130.07762	1.9
130.96017	0.7
133.10083	3.5
135.08055	1.4
135.11685	14.3
143.08511	1.4
145.10115	20.7
163.11188	11.7
180.42212	0.7
188.14384	0.9
206.15388	100.0
207.15717	2.2
224.16420	6.0
286.12030	1.0
304.13138	1.6
337.27350	37.0
338.27524	1.1
378.16592	1.6
428.36392	0.7
554.29773	1.1
608.25867	2.5
622.38788	4.0
640.28546	2.9
640.40631	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	640.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
53.81961	0.5
55.01892	0.5
55.05262	0.9
55.05508	11.6
57.03434	6.8
57.07061	1.4
65.03596	0.4
65.03926	0.9
67.05502	26.8
69.07063	15.6
69.84834	2.9
71.04983	0.7
71.08611	0.8
78.41321	0.5
79.05048	0.8
79.05489	10.8
81.03465	0.5
81.07050	26.1
83.04970	0.9
83.08613	6.6
84.08980	0.4
85.06522	0.8
85.10198	0.6
86.85754	0.5
91.05470	7.4
93.07040	10.6
94.04623	0.5
95.04958	2.2
95.08598	18.0
97.06533	1.5
97.10157	2.9
98.21504	0.6
105.07038	4.9
107.04961	1.7
107.08595	6.4
107.62816	0.5
109.06496	2.2
109.10136	5.6
111.08086	0.6
117.07011	1.6
119.08575	4.1
121.06489	1.7
121.10136	2.7
123.11662	2.4
125.09579	0.7
130.07796	0.6
131.08641	0.5
133.10100	2.9
135.11696	3.3
137.09560	0.6
137.13260	0.9
142.02655	1.5
145.10094	3.1
147.11697	0.9
149.13222	0.7
161.13229	1.3
161.17741	0.5
163.11162	1.4
163.14847	0.7
175.14827	1.0
206.13571	1.0
206.15393	9.2
206.17061	0.4
263.23807	0.8
304.13062	11.6
337.27344	100.0
338.27661	2.2
351.86478	0.6
640.41064	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
54.33370	0.6
55.01855	1.7
55.05502	3.7
57.03424	1.6
57.07072	1.3
58.94244	0.6
61.02905	1.9
62.65945	0.6
67.05499	3.4
68.99799	0.7
69.03075	0.7
69.03423	9.2
69.07061	8.1
69.50851	4.5
70.06577	2.3
71.04968	2.5
71.70799	0.5
73.02901	2.4
79.05491	4.0
81.03414	5.6
81.07058	11.3
83.08603	5.5
84.04476	0.7
85.02897	23.2
85.06512	1.4
86.09682	0.9
87.00823	8.4
88.12923	0.6
91.05457	2.5
93.07047	10.1
95.04935	1.1
95.08602	23.0
97.02884	8.5
97.06499	0.7
97.10179	4.1
99.04475	2.9
99.08088	9.1
105.01176	1.1
105.01863	15.3
105.07020	2.8
107.08584	26.4
109.02876	6.9
109.06470	1.0
109.10139	5.7
111.08071	2.6
113.09613	1.5
119.08575	1.9
121.06470	1.0
121.10136	43.6
123.11697	2.8
125.09618	3.1
127.03905	15.0
132.36604	0.6
133.10109	2.1
135.11681	11.1
136.07587	0.8
137.05983	0.6
137.13239	4.1
139.11139	0.8
145.04938	5.9
145.10074	1.0
147.11652	0.9
149.13272	4.5
159.02887	3.1
161.13319	0.7
173.13269	0.6
175.14748	1.4
177.05389	1.0
177.16373	100.0
178.16673	0.7
187.14772	0.8
189.03799	0.6
195.15628	1.0
195.17433	21.7
213.03886	1.2
213.18488	19.5
219.17448	1.4
231.04987	5.6
249.06081	4.8
277.83234	0.6
285.18222	1.0
287.32471	0.6
389.19583	1.4
393.09988	0.7
407.20602	1.3
425.22043	1.1
428.32010	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2808
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.44509	0.9
67.05490	1.5
67.27872	0.8
71.59740	1.5
74.45025	0.8
77.12171	0.9
79.05492	2.0
81.07037	2.0
83.19064	1.0
93.07046	1.0
95.08625	1.2
96.88225	0.8
105.07024	1.2
109.06538	1.1
119.08608	1.5
122.03446	1.0
207.82205	1.0
267.03406	1.2
287.16461	1.0
329.21878	0.9
378.19284	1.0
406.17892	1.2
407.18518	2.4
419.18970	1.1
420.15332	1.2
421.20663	4.7
422.20798	2.4
433.15945	1.5
434.17407	2.0
435.18234	3.0
436.22565	2.8
447.22330	1.3
448.18979	2.5
449.19659	8.1
450.20468	2.9
459.18021	1.3
461.19424	1.0
463.21994	4.5
464.22070	7.2
474.20447	1.3
475.21664	1.7
477.18790	6.8
478.20197	2.8
479.21240	1.4
491.21011	1.5
521.21899	1.3
523.23199	1.5
533.21503	1.2
535.23993	4.3
536.24237	2.3
551.26709	2.9
561.25104	3.9
564.23474	4.1
565.24780	2.7
579.25836	6.7
595.25488	3.6
610.27496	1.4
621.27020	4.9
624.25519	5.2
639.28070	100.0
640.28381	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	639.1919
Annotation	Demethoxycentaureidin 7-O-rutinoside
Peak:m/z	Relative Intensity
51.63094	0.2
55.05496	0.3
56.05036	1.3
56.96543	0.2
59.75139	0.1
61.01119	0.5
67.05469	0.2
69.03405	0.4
69.07040	0.2
69.52512	0.6
69.52946	0.7
70.06595	1.3
71.04984	1.2
72.08128	0.2
73.76037	0.2
76.42766	0.1
79.05457	0.2
81.03423	0.3
81.07027	0.4
83.04960	0.2
84.04480	0.5
84.08106	0.4
85.02893	2.0
86.09689	1.5
87.43988	0.2
93.07002	0.2
95.04967	0.3
95.08572	0.3
97.02862	0.2
97.10131	0.2
101.07092	0.4
104.05324	2.7
105.05624	0.6
105.07009	0.3
106.04226	0.2
106.04894	1.0
107.04940	0.3
109.02876	0.2
109.10109	0.2
111.04439	0.2
119.08528	0.2
120.08100	1.5
121.08425	0.4
122.06040	0.2
124.05175	0.4
127.03889	0.2
129.05449	0.4
131.04932	0.2
131.08560	0.2
132.08168	0.2
133.10176	0.2
134.03619	0.3
134.53487	0.1
135.04385	0.2
137.02373	0.2
139.03880	0.2
147.04385	0.2
149.01239	0.2
149.07414	0.7
150.07779	0.4
151.03865	0.9
151.07011	0.3
152.81487	0.2
153.01857	1.0
161.09547	0.2
163.03830	0.3
164.04607	0.2
175.04042	0.2
177.05353	0.2
179.03340	0.1
182.00232	0.1
184.89667	0.2
187.03833	0.2
189.05367	0.1
193.04959	0.2
194.02113	0.2
207.06444	0.2
217.04959	1.3
228.04228	0.4
229.04854	0.5
230.05708	0.2
234.16991	0.2
242.05725	0.2
245.04456	3.5
256.03531	0.2
257.04443	0.4
258.05325	0.4
260.10657	1.0
261.10907	0.9
261.15906	0.4
262.10242	0.8
262.16220	0.2
269.04443	0.3
270.05267	0.2
271.06009	0.6
273.03934	4.1
285.03876	0.4
287.05475	1.8
288.06305	1.9
298.04657	0.2
299.05557	0.5
300.02701	0.5
301.03433	9.4
302.04132	0.6
315.04993	11.4
316.05768	46.2
317.06061	0.6
331.08109	100.0
332.08438	1.1
373.18985	0.5
374.19193	0.5
375.18564	0.4
493.13370	0.6
639.23541	0.3
639.34210	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
55.05511	7.8
57.03440	5.5
57.07060	0.9
60.57043	0.5
65.03920	1.2
67.05503	28.7
69.03401	0.7
69.07072	6.5
71.05001	0.7
73.65034	0.6
79.05059	0.9
79.05492	17.2
81.03393	0.6
81.07056	24.3
83.04981	1.0
83.08641	2.9
91.05473	8.7
93.07042	19.7
95.04980	3.4
95.08601	18.5
97.06524	1.2
97.10159	1.0
105.07021	4.6
107.04911	1.4
107.08595	9.1
109.06511	2.2
109.10155	6.5
115.69875	0.5
117.06998	2.9
119.08575	3.6
121.06476	2.0
121.10138	5.3
123.11698	1.8
131.08543	1.8
133.10110	2.1
135.11671	4.5
137.13313	0.6
142.02626	1.6
145.10133	4.2
147.11690	0.8
149.13162	0.6
159.11653	0.7
161.13231	0.7
161.64774	0.5
163.11160	2.1
173.13182	0.9
175.14854	1.0
180.72372	0.5
187.21121	0.5
206.15404	9.5
222.08932	0.7
229.69289	0.5
230.68018	0.5
261.22009	0.6
291.77344	0.5
304.13058	11.6
335.25787	100.0
560.23285	1.6
588.22882	0.8
620.25531	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.05507	8.2
57.03435	7.2
57.07069	1.1
65.03945	1.3
67.05500	30.4
68.49421	0.5
69.03410	0.6
69.06716	0.7
69.07063	7.5
71.04965	0.9
71.57926	0.6
71.60506	0.7
74.26005	0.5
79.05488	19.2
80.59778	0.5
81.07050	26.8
83.04989	0.9
83.08607	2.2
85.06531	1.1
91.05476	10.2
93.07034	22.1
95.04964	3.0
95.08597	21.1
95.09054	0.4
97.06515	1.3
97.10181	1.0
100.87766	0.6
105.07031	6.9
107.04959	2.2
107.08587	8.0
109.06492	2.3
109.10158	6.8
117.06982	2.6
119.08577	5.1
121.06474	2.0
121.10131	5.6
123.11692	1.9
131.08525	2.2
133.10114	2.1
135.11678	4.9
142.02647	1.8
145.10114	5.3
147.11684	1.5
149.13260	1.3
151.75696	0.6
160.61021	0.6
161.13234	0.7
163.11136	1.7
173.13277	0.8
205.48486	0.7
206.15401	10.9
222.08807	0.7
286.12003	0.7
304.13058	12.9
335.25766	100.0
336.26077	1.4
560.23425	0.8
620.25836	0.9
638.26642	0.7
638.38141	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1922
Annotation	Demethoxycentaureidin 7-O-rutinoside
Peak:m/z	Relative Intensity
55.01861	0.3
55.05497	0.5
56.96564	0.2
57.03188	0.2
57.03440	1.8
59.20866	0.2
61.02923	1.5
61.43489	0.2
65.03946	0.2
67.05489	0.5
69.03410	0.8
69.07052	0.4
70.06586	0.3
71.01340	0.3
71.04992	9.7
71.13167	0.3
73.02916	0.6
75.04473	0.5
79.05485	0.4
81.03407	0.6
81.07057	0.9
83.04965	0.9
84.04492	0.2
84.08083	0.2
85.02905	12.0
86.09699	0.5
87.04475	0.3
91.03934	0.6
91.05466	0.3
92.02608	0.4
93.03400	0.5
93.07043	0.8
95.04961	0.5
95.08615	0.8
97.02878	1.2
97.06512	0.2
97.10220	0.2
97.82979	0.2
99.04433	0.3
105.07038	0.6
107.04961	0.3
107.08607	0.6
109.02874	0.3
109.10141	0.7
111.04429	0.5
117.06907	0.2
119.08587	0.5
121.02879	0.5
121.10133	0.7
123.04405	0.2
123.08070	0.2
123.11710	0.5
127.03882	0.7
129.05481	2.5
131.08661	0.2
133.06448	0.2
133.10118	0.4
135.04385	0.2
136.27585	0.2
137.05966	0.3
140.04689	0.8
145.02821	0.7
145.04948	0.3
145.10124	0.3
147.06529	0.6
151.03873	0.9
153.05481	0.6
159.23346	0.2
161.13275	0.2
163.03859	0.5
165.09204	0.2
167.03406	7.4
177.05460	1.2
179.03378	0.2
193.05022	0.3
215.07016	0.6
217.04918	0.3
227.03354	0.2
231.06444	0.9
232.07336	0.6
233.04446	0.2
242.05705	1.4
243.06560	2.5
245.04475	0.5
257.04468	0.3
259.06091	1.3
259.08618	0.2
260.06909	1.9
270.05228	0.2
271.06073	2.0
273.03958	0.2
274.04663	0.4
286.04736	0.2
287.05362	1.7
288.06296	3.5
298.04724	0.4
299.05554	3.2
301.21588	0.2
316.05771	12.3
319.22589	0.4
331.08112	100.0
332.08386	0.7
337.23663	0.4
407.42371	0.2
418.37686	0.2
595.27747	0.2
639.24445	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89232	0.1
53.03949	0.4
55.01864	0.5
55.05512	1.3
56.96570	0.1
57.03437	0.4
57.07069	0.1
58.07421	0.1
58.39757	0.1
61.02913	0.5
65.03942	0.3
66.51999	0.1
67.05489	0.7
69.03422	1.7
69.07065	5.4
70.06586	1.4
71.04975	0.3
71.59134	0.2
72.08159	0.3
73.02918	0.6
79.05487	0.7
81.03416	1.7
81.07053	1.1
83.01315	0.1
83.04973	0.2
83.08609	1.2
84.04498	0.2
84.08137	0.6
85.02901	4.9
85.06549	0.2
86.09692	0.5
87.00825	1.9
87.04467	0.3
88.04012	0.2
91.03938	0.3
91.05475	5.0
92.05814	0.2
93.07039	1.4
95.04957	0.2
95.08607	2.7
97.02886	2.3
97.06532	0.3
98.97573	0.4
99.04436	0.9
103.03951	0.1
103.05466	0.2
105.01863	2.1
105.07024	4.9
107.04913	0.2
107.08585	1.9
108.08173	0.2
109.02874	2.1
109.06579	0.2
109.10151	1.4
116.98590	0.3
117.01883	0.3
117.07018	0.4
119.08573	24.4
120.08096	0.3
120.08842	0.3
121.10144	1.9
123.11663	0.2
125.02366	0.2
127.03909	3.4
128.98625	0.2
129.01828	0.4
129.10237	0.4
131.08560	0.7
133.10124	20.4
134.10796	0.1
134.99605	0.2
135.11671	1.1
136.07582	0.2
137.06012	0.6
137.09602	0.4
143.08463	0.2
145.04977	1.3
145.10100	1.4
146.06000	0.2
146.10873	0.2
146.99643	0.2
147.04378	0.1
147.11671	3.5
148.07541	0.1
149.13266	0.2
151.14786	0.2
159.02905	0.8
159.11656	0.2
160.12442	1.1
161.01180	0.2
161.13199	0.2
166.08620	0.2
173.13268	1.0
175.14813	100.0
175.45567	0.1
176.15137	1.5
177.00668	0.1
177.05530	0.1
177.16379	2.0
193.15889	3.9
197.01205	0.2
205.15968	0.2
207.06630	0.2
213.03931	0.3
219.01770	0.3
231.04994	0.7
233.11510	0.2
237.02876	0.8
249.06172	0.2
250.14424	0.2
264.15891	0.3
279.03851	0.5
283.16748	0.1
309.06509	0.1
327.07385	0.3
368.47296	0.1
369.08264	0.2
387.17935	0.3
405.18964	0.3
405.62054	0.5
406.12567	0.3
419.13995	0.2
423.19870	0.3
427.61798	0.4
428.11884	0.2
441.21185	0.2
443.63037	0.5
444.13107	0.4
563.17584	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
67.09272	0.3
69.07069	0.4
70.11972	1.9
79.05470	0.4
81.03368	0.5
81.07057	0.7
89.64471	0.4
98.20859	0.4
105.07021	0.7
107.50858	0.4
172.95229	0.8
190.96303	0.5
217.89124	0.4
249.71066	0.4
372.98706	0.4
637.39197	100.0
638.39386	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01874	0.3
55.05508	6.8
56.05033	0.6
57.03429	0.5
57.07069	0.6
60.04526	0.8
61.02920	0.5
62.85906	0.3
65.03930	0.5
67.05504	2.9
69.03419	3.1
69.07066	11.5
70.06587	4.2
70.93716	0.6
70.94064	0.6
71.04990	4.3
72.08155	1.0
73.02918	0.6
74.06075	0.7
79.05480	3.0
81.03407	1.8
81.07054	8.4
82.06577	0.4
83.04982	2.5
83.08614	4.4
84.04492	1.2
84.08143	2.7
85.02898	6.4
86.09696	2.2
87.00822	0.9
91.05477	11.9
93.07031	5.1
95.04967	1.4
95.08604	9.5
96.44888	0.4
97.02895	1.9
99.04455	1.1
103.05457	1.4
104.06244	0.8
104.95156	0.3
105.01885	2.0
105.07022	23.7
107.08589	17.5
109.02858	1.9
109.06514	0.9
109.10152	3.7
110.07159	0.6
110.10719	0.3
113.54840	0.3
115.05480	0.3
117.07007	4.4
119.08574	99.2
120.08069	0.9
120.08878	0.7
121.06527	0.4
121.10140	5.2
123.08099	0.5
123.11668	0.4
127.03902	3.7
129.10236	1.7
131.08554	1.7
133.10123	29.0
134.10471	0.4
135.04388	0.3
135.11690	1.4
136.07568	1.1
137.05952	0.5
137.09624	1.2
145.02873	0.7
145.04953	3.1
145.10086	1.9
146.10927	0.6
146.99667	0.3
147.04408	0.5
147.11684	4.8
151.14777	0.5
159.11676	0.5
160.12498	1.2
161.13278	0.9
163.03967	0.6
163.06050	0.8
163.07372	0.4
173.13220	1.1
175.14815	100.0
176.15237	0.7
177.05397	0.7
193.03146	0.7
193.04922	0.4
193.08687	0.4
193.15872	9.1
215.09106	2.8
231.05078	0.8
231.63670	0.3
233.10156	2.4
237.02773	0.6
241.42819	0.4
249.05980	0.9
255.06775	0.5
303.05002	0.5
305.09021	0.7
315.08618	1.8
380.56204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01853	2.3
55.05515	3.7
57.03433	16.0
57.07072	21.9
61.02923	51.5
67.05499	6.7
69.03426	20.8
69.07068	4.4
69.48979	1.5
69.49391	3.2
71.01333	1.5
71.05001	2.7
71.08628	17.7
73.02916	16.7
75.04460	2.0
80.03194	0.5
81.02977	1.0
81.03416	16.2
81.07050	9.9
81.07504	0.7
83.01326	0.9
83.04957	1.9
83.08600	6.3
85.02900	58.7
85.06514	1.1
85.09691	1.0
85.10178	9.8
87.04450	2.1
89.06046	0.7
90.60461	0.5
91.03949	35.8
92.54214	0.7
93.06989	0.6
95.04923	0.6
95.08045	1.0
95.08603	13.7
97.02886	51.5
97.10163	3.8
99.04455	8.3
101.02378	4.8
103.03934	7.9
103.07573	0.7
109.02876	11.8
109.06467	0.9
109.10143	6.6
111.04427	2.2
111.11739	1.0
115.03916	6.2
117.05481	1.6
123.11738	2.8
125.13184	0.7
127.03912	22.7
127.57306	0.6
129.05489	4.8
137.05922	1.0
137.13229	1.8
141.05450	1.1
145.04958	14.3
147.06590	0.8
155.07005	0.9
157.05042	0.6
159.06523	3.0
163.06017	4.6
171.06493	1.5
183.06531	9.1
201.07574	7.9
219.08611	1.3
221.22574	0.9
239.23683	21.6
257.24765	2.5
276.94147	0.6
298.27374	1.2
313.27350	100.0
314.27713	0.9
341.26840	4.5
355.28503	3.6
367.28448	1.3
371.27997	0.6
383.27948	1.8
385.29456	1.3
397.29440	1.3
402.06290	0.7
421.29294	1.8
439.30542	2.6
457.31552	11.1
475.32599	2.0
637.37695	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97652	0.5
52.53799	0.4
53.03944	0.4
55.05527	0.5
56.05036	30.8
59.06118	0.4
61.01151	16.8
67.05502	1.1
69.03426	2.3
69.07068	2.5
69.68281	3.3
70.06596	5.8
72.08156	2.7
72.20047	0.4
73.04024	0.5
74.06073	1.3
76.50733	0.5
79.05499	0.7
81.03410	1.0
81.07063	1.9
83.06100	2.0
84.04503	9.4
84.08138	3.6
85.02894	2.1
85.06535	1.0
86.09706	23.5
87.05640	0.7
89.04272	0.5
91.05494	2.0
93.07047	2.1
94.06568	0.6
95.08610	1.4
97.02903	0.8
97.06552	0.5
97.10160	0.5
99.04449	0.8
101.07143	9.5
102.05521	0.5
103.05457	0.8
104.05330	100.0
105.07043	1.4
107.04969	0.7
107.08609	1.1
109.10198	0.9
113.07112	0.5
115.05400	0.5
117.03728	4.5
118.08715	0.9
119.08557	0.8
120.08105	33.1
121.10135	1.0
122.06047	2.9
127.03925	0.9
129.06587	3.4
129.10265	1.4
130.06525	0.5
131.08598	0.5
131.20534	0.4
132.04813	0.5
133.10121	0.7
135.04408	0.5
135.08078	0.6
135.11652	0.5
136.07553	0.8
137.06003	1.7
139.08653	0.5
147.04381	1.0
147.11729	0.8
149.07440	31.5
150.05527	0.7
151.03935	0.5
152.10706	0.8
161.05960	0.5
163.03920	0.9
167.06926	0.9
167.08195	1.2
169.13367	1.4
170.06351	1.4
177.05467	0.8
178.05006	2.4
187.09056	0.5
187.11066	0.5
193.04996	1.4
196.14476	1.8
197.12910	2.4
212.10289	0.6
214.15535	2.8
226.05328	2.4
232.11169	1.8
233.16519	6.2
237.03197	0.5
239.20041	0.7
242.15054	1.4
243.07988	12.9
260.10648	71.0
261.11511	0.8
261.16006	11.8
263.14081	0.4
265.15533	5.0
266.23587	0.6
270.37531	0.5
328.16681	0.6
335.25864	0.9
353.26822	0.9
356.16360	1.9
358.27237	0.4
362.15170	0.7
371.28500	0.8
372.19058	0.8
373.19034	29.8
378.23886	5.1
389.21738	1.3
389.29849	0.5
407.17313	1.4
417.21143	1.2
459.51715	0.5
475.23660	1.1
492.26251	2.2
503.23532	0.6
506.29996	0.7
517.82104	0.5
520.26038	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
66.55033	0.7
69.89816	3.6
90.69292	0.7
98.20860	0.9
216.88579	0.7
321.90158	0.8
324.15582	0.8
389.18597	1.7
390.18198	1.2
391.19113	3.0
392.20108	1.0
399.16202	1.2
400.16916	1.7
401.17667	2.1
402.19131	1.4
403.19510	2.0
404.20718	1.5
405.20685	6.5
406.21487	7.2
413.17725	2.3
414.18430	2.4
415.19153	5.2
416.20258	1.8
417.20847	1.7
419.22476	2.2
420.23038	5.9
421.23892	10.8
427.19254	2.2
428.20407	4.2
429.20914	14.2
430.21616	4.6
431.17838	1.4
431.22888	1.9
433.19623	1.9
433.24042	3.1
434.24899	1.8
442.21744	2.8
443.22424	7.7
444.23346	5.1
445.19589	4.7
446.20917	1.6
447.17511	1.2
455.18723	1.2
457.24875	5.4
458.24963	8.7
459.21805	8.6
460.22495	5.2
461.19397	9.6
470.21307	2.0
471.21558	2.7
472.22580	8.9
473.18796	1.5
473.24237	1.7
475.21353	3.4
476.21851	11.0
485.23398	15.9
486.19504	1.3
486.24133	3.9
487.21042	1.7
488.22018	5.7
489.22772	1.6
490.23840	1.1
499.21640	1.9
500.22131	2.3
502.23450	1.5
503.24365	22.7
513.23047	3.1
514.23865	2.1
517.25800	10.1
519.23590	1.0
529.26196	2.7
535.27002	28.6
536.27228	1.4
545.25439	89.9
546.25281	3.8
549.24805	1.3
563.26471	7.0
573.24817	21.4
577.27820	1.7
578.28174	9.7
605.27502	84.7
606.27905	2.1
637.30157	100.0
638.30328	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05470	0.9
69.66612	1.4
69.67023	2.0
70.06249	0.5
87.67767	0.5
166.33751	0.5
209.10738	0.6
257.77237	0.5
313.23001	0.5
337.05429	0.5
377.17639	0.7
378.18048	0.8
385.14603	1.0
386.15872	1.1
387.16275	0.7
388.17508	0.7
390.18942	0.7
391.19061	1.0
392.19836	1.5
393.20776	2.3
398.15738	0.6
399.16177	2.2
400.16977	2.8
401.17615	3.9
402.18439	1.0
403.19586	0.8
407.22266	2.6
413.17947	2.9
414.18750	5.1
415.19400	7.5
416.20117	1.8
417.21283	1.0
419.22595	1.2
421.20142	2.6
425.17667	1.5
427.18933	1.7
428.20517	3.6
429.21368	7.1
430.21606	2.3
431.18445	0.6
435.21915	2.2
439.19370	1.3
441.17117	1.3
442.17834	2.0
443.17969	2.2
443.22400	4.4
444.18616	4.2
445.20169	2.3
447.17728	0.9
455.19092	1.1
456.19498	1.6
457.20538	6.1
458.21310	4.1
459.17868	0.8
469.16962	0.6
471.22296	6.7
472.23276	4.7
473.19135	3.3
474.20908	1.4
476.18155	0.8
484.18491	0.8
485.19388	2.6
486.20428	5.8
487.21555	2.3
488.21936	1.0
489.22931	1.1
490.19876	2.3
491.20178	0.6
498.20871	0.8
499.21375	9.5
500.21786	2.1
502.19510	0.8
503.24738	3.4
513.19519	1.1
516.21674	1.4
517.21985	2.9
521.25220	0.8
527.20667	2.0
528.21417	0.9
531.23950	11.7
543.23761	1.3
545.21844	0.7
549.24359	0.9
559.23395	97.4
560.23914	2.0
587.14423	0.5
587.22839	18.1
619.25482	100.0
620.25891	1.8
637.26434	9.6
637.41046	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68409	0.4
67.05512	1.9
69.07059	0.9
70.05860	2.3
79.05502	0.7
81.07050	1.0
83.08604	0.6
85.29857	0.5
91.05474	0.7
92.09070	0.5
93.07050	0.6
97.10130	0.5
97.77726	0.5
139.65137	0.5
142.23813	0.5
204.63872	0.5
510.52255	0.5
575.22778	1.3
594.11414	0.5
635.41302	100.0
636.41357	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
55.01870	3.7
55.05508	24.4
57.03437	6.0
57.07070	2.5
59.04990	3.7
63.19634	2.0
65.03947	3.9
67.05501	100.0
69.03423	28.7
69.07065	14.8
70.56316	8.5
71.04979	3.3
74.49895	2.4
79.05490	28.3
81.03419	19.8
81.07053	42.1
83.04984	10.6
83.08636	7.2
85.02911	4.9
91.05480	31.7
93.07047	35.4
95.04961	11.6
95.08602	23.6
97.02903	7.7
97.06519	4.4
97.10172	7.3
99.04515	2.9
105.07037	26.4
107.04971	6.1
107.08595	21.3
109.02902	3.7
109.06535	5.8
109.10152	61.1
111.04459	5.2
111.08088	4.4
115.05502	3.0
117.07005	12.9
119.08572	19.9
121.06483	3.7
121.10146	11.7
123.11746	3.2
125.09613	5.8
127.03951	2.6
128.06230	2.6
129.07016	7.0
130.07741	2.7
131.08548	18.8
133.06503	4.3
133.10117	14.4
135.08060	3.9
135.11699	8.3
137.09625	4.0
141.06949	2.9
143.08565	9.8
145.06467	4.8
145.10132	12.8
147.08028	3.9
147.11668	10.5
149.09663	3.7
149.13254	4.9
155.08560	4.1
157.10094	5.1
159.11703	10.1
161.13252	5.9
161.58015	2.4
163.11214	5.0
169.10228	3.5
171.08093	2.2
171.11697	5.3
173.11748	14.7
173.13170	5.1
175.11154	3.2
175.14815	3.8
177.12640	2.9
181.10143	2.9
183.08180	2.9
183.11635	5.2
185.13246	2.5
187.11220	3.1
187.14774	4.2
189.11171	5.2
197.13168	4.2
199.14868	3.2
226.05943	2.3
229.14360	16.3
235.16710	2.3
235.38670	2.5
277.21744	3.4
299.15009	2.7
301.21570	6.2
319.22653	3.4
327.23218	3.5
332.52905	2.6
351.23303	3.9
369.24188	9.9
387.25391	3.4
437.16312	2.8
443.28156	3.8
461.28656	3.8
597.37665	5.5
615.38898	9.4
633.39661	28.0
633.45911	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	633.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01844	3.5
55.05506	20.3
57.03420	6.8
57.07070	2.9
59.04980	3.3
63.46691	1.7
65.03919	4.8
67.05499	100.0
69.03424	37.4
69.07064	11.8
71.04961	5.2
79.05486	33.4
81.03408	25.1
81.07050	50.7
83.04971	8.5
83.08607	12.2
85.02872	4.4
85.06535	4.7
85.52428	1.8
91.05471	32.5
93.07034	34.9
95.04964	11.4
95.08598	25.6
97.02883	7.7
97.06524	5.7
97.10160	4.7
99.04442	3.8
103.05465	1.8
105.06390	2.2
105.07027	24.8
107.04942	5.5
107.08591	20.2
108.11470	2.3
108.95259	1.9
109.02888	2.9
109.06484	6.1
109.10143	54.9
110.15672	1.7
111.04432	8.4
111.08080	4.3
115.05450	2.1
117.07030	13.8
119.08573	23.9
121.06470	5.1
121.10160	12.7
123.04367	2.1
123.08037	3.8
125.09605	6.8
127.03902	4.6
128.06166	2.0
129.06976	7.5
130.07809	2.0
131.08585	15.4
133.06480	3.4
133.10136	15.9
135.08020	5.5
135.11670	7.6
137.09583	6.3
139.11066	2.9
141.06996	3.4
142.07758	2.6
143.08546	8.7
145.10110	13.9
147.08011	4.1
147.11662	7.9
149.09598	2.8
149.13254	2.9
151.07552	2.6
153.06952	2.2
155.08513	6.5
155.10594	3.9
157.10118	8.6
159.08084	3.4
159.11624	12.4
160.42761	2.1
161.09642	3.3
161.13269	3.6
163.11183	4.0
167.08560	2.9
169.10097	4.3
169.60046	2.0
171.11594	5.1
173.09648	4.0
173.11719	15.5
173.13237	7.8
175.11150	2.4
175.14790	2.0
180.05859	2.2
181.10092	4.0
183.11708	6.8
185.09593	3.5
185.13191	4.4
187.14824	2.6
189.11118	3.3
192.09431	1.8
195.11690	3.0
197.13263	2.6
207.11795	2.3
209.13405	1.8
213.12712	2.1
221.15349	2.6
229.14325	21.5
241.19415	2.5
273.18149	2.4
273.22205	2.9
277.21606	4.8
287.16406	2.1
289.21408	3.0
301.21573	7.4
309.22195	2.5
319.22604	2.8
327.23251	2.6
341.24854	3.1
345.24115	2.5
351.23193	6.2
353.24698	2.5
355.17413	2.3
369.24097	11.0
387.25186	5.8
461.28775	4.6
597.37524	5.6
615.38647	7.9
633.39899	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.8
55.01863	2.9
55.05509	22.8
57.03436	7.4
57.07069	2.5
59.04988	3.8
65.03928	4.0
67.05502	100.0
69.03070	2.5
69.03426	33.8
69.07063	13.9
71.04985	7.3
77.64474	1.7
79.05489	33.6
81.03422	23.6
81.07052	45.4
83.04993	10.5
83.08620	11.1
85.02897	3.9
85.06538	3.5
91.05475	34.5
93.07039	40.2
93.57819	1.4
95.04966	13.5
95.08601	30.7
97.02871	5.0
97.06544	3.8
97.10168	8.5
99.04444	2.7
103.05468	2.2
103.53626	1.3
105.07022	28.8
107.04941	3.9
107.08587	20.3
109.02869	6.4
109.06512	7.0
109.10152	63.1
111.04436	9.4
111.08103	4.3
111.86118	1.4
113.06038	3.1
115.05453	1.8
117.07018	17.0
119.08577	22.3
121.06508	5.4
121.10130	15.0
123.04430	2.2
123.08061	4.6
123.11715	3.0
125.09650	8.5
127.03911	3.7
128.06169	2.5
129.05495	3.3
129.06996	8.4
131.08565	17.3
133.06462	4.1
133.10127	14.8
135.08073	7.0
135.11659	11.1
137.09627	5.6
141.06981	4.7
142.07788	4.1
143.08580	12.0
145.06540	2.7
145.10132	15.2
147.08078	5.1
147.11682	10.5
149.09576	3.5
149.13292	4.1
155.08578	4.4
155.10652	1.6
157.06471	2.4
157.10152	10.1
159.08072	3.7
159.11691	12.2
161.09648	3.9
161.13257	6.3
163.11182	2.9
163.14810	2.6
165.07031	1.9
165.09018	1.9
167.08553	2.8
167.59933	1.5
168.09322	1.7
169.10126	4.7
171.08124	2.4
171.11617	7.7
173.09654	4.1
173.11746	19.6
173.13306	5.8
175.11191	4.2
175.14879	2.0
177.12697	2.0
180.42743	1.5
181.10068	3.1
183.11678	5.8
185.09685	3.4
185.13264	4.5
187.11180	3.0
187.14932	1.8
189.11227	4.2
189.12753	1.7
195.11711	4.3
197.13316	2.6
199.11295	2.4
199.14853	3.3
200.71353	1.7
201.12802	3.3
202.15871	7.3
205.12268	1.8
207.11676	1.9
209.13393	1.9
211.14850	2.4
213.12738	2.8
213.16444	2.1
215.14365	1.9
223.11058	1.4
223.14894	2.5
227.12663	2.6
229.14252	20.2
229.49303	1.9
233.15359	2.6
245.13751	3.8
253.19493	1.9
259.20547	2.9
261.22256	1.9
265.19296	1.6
277.21671	4.2
283.20569	1.9
285.22217	2.3
289.21667	2.5
299.15048	3.0
300.13614	8.3
301.21542	9.1
309.22531	1.4
315.23260	3.5
319.22729	3.9
323.23764	2.1
327.23242	3.8
333.22159	2.3
341.24826	3.1
345.24313	1.9
351.23026	7.4
353.24716	2.7
355.17679	2.4
357.24402	2.4
358.69641	1.7
359.25693	2.5
369.24179	13.6
387.25043	7.2
405.26199	2.1
443.27979	4.5
461.29068	6.7
489.35486	2.3
585.37323	2.0
597.37836	9.2
603.39209	1.9
615.38605	12.1
633.29291	3.1
633.39929	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51748	0.6
55.60428	0.5
70.06589	0.8
71.59904	0.6
72.18007	0.6
79.05507	0.9
81.07049	1.2
85.02905	1.1
91.05495	0.9
93.07056	0.9
95.08602	1.5
99.08117	0.6
105.07039	1.5
107.04967	0.7
109.10171	0.8
118.73693	0.6
121.06511	0.6
134.03600	0.7
137.05972	0.9
145.76997	0.6
161.06004	0.7
163.03911	0.6
165.82788	0.7
167.07068	1.4
193.05031	0.7
215.11298	1.8
219.10809	0.7
245.12352	1.1
271.04242	1.5
313.18420	0.7
327.21832	0.6
345.22809	2.5
363.24460	16.6
381.25986	93.0
382.26285	1.9
404.26563	1.4
435.94427	0.7
543.31317	1.4
567.31512	1.9
585.32416	21.8
611.30304	12.6
627.45685	0.7
629.31396	100.0
630.31848	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.4
57.03416	0.6
69.03421	0.4
69.45189	1.6
69.45608	0.8
70.06593	3.3
71.04985	1.4
72.08157	0.7
73.20569	0.3
74.06060	0.4
75.92469	0.3
78.34056	0.3
81.03394	0.4
82.06573	0.4
83.04970	0.3
84.04494	0.8
84.08140	1.2
85.02910	1.8
86.09713	2.0
88.03970	0.4
91.05461	0.3
91.30643	0.3
92.38888	0.2
110.07175	0.3
111.04425	0.4
119.08521	0.3
120.08112	0.6
128.07068	0.5
129.10237	1.0
137.06039	0.3
137.95430	0.3
146.42685	0.3
163.03883	0.3
163.07060	0.4
172.44200	0.3
173.01344	0.3
185.04214	1.6
187.05811	0.7
208.03697	0.6
209.04434	0.5
223.06021	1.7
247.04471	0.3
265.08844	0.5
281.89905	0.3
303.04944	0.7
324.02408	4.2
325.03125	1.2
331.10001	16.9
351.08765	1.2
355.07941	0.5
361.03949	1.9
369.09790	0.4
379.04990	0.9
381.01312	0.5
403.04996	0.3
471.12854	1.1
487.07941	1.1
633.14233	100.0
634.14496	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81760	0.2
55.05509	0.4
56.96565	8.6
57.03446	0.2
67.05495	0.4
67.97196	0.2
69.03412	0.2
69.07065	0.4
70.02696	0.8
70.06580	0.4
71.04966	0.2
71.95248	0.7
72.96048	0.3
74.97609	0.4
79.05492	1.1
81.03412	0.4
81.06641	0.3
81.07061	3.3
84.96035	0.6
85.02891	0.6
85.80830	0.2
86.09702	0.3
90.97470	0.2
91.05441	0.2
92.98652	0.2
93.07028	0.5
95.08589	0.6
97.02847	0.3
97.96835	0.3
98.21388	0.3
98.97573	3.0
105.07014	0.3
105.36933	0.2
107.04945	0.4
107.08590	0.3
109.10112	0.2
110.97587	0.5
111.04455	0.3
112.99162	0.4
113.58267	0.2
115.97807	0.3
116.98621	4.3
119.08578	0.5
121.10127	0.2
123.01203	0.3
128.98604	1.2
131.00165	1.3
131.08493	0.3
134.99651	2.5
137.05952	0.3
140.00130	0.2
141.02267	0.3
145.01668	0.3
146.99664	1.8
147.03328	0.3
149.01218	1.8
149.13377	0.2
153.00644	0.3
155.03796	0.7
158.99632	1.3
159.03201	0.2
160.97545	0.4
161.01189	0.4
162.99146	0.3
163.03911	0.5
165.00803	0.4
165.04483	0.2
167.02327	0.6
167.07164	0.2
169.05296	0.4
171.03288	0.6
173.01253	1.1
173.04785	0.5
173.06139	0.3
177.00723	2.7
177.04294	0.3
181.05212	0.2
185.04845	0.7
187.02805	0.3
187.06389	0.6
189.04292	0.8
191.02299	1.6
191.05797	0.4
195.01825	0.4
195.06953	0.4
198.05699	0.2
199.06331	1.2
200.02141	0.2
201.00745	0.3
201.04318	0.4
201.07800	0.2
202.98650	1.1
203.05902	1.4
205.07468	1.0
207.06796	0.3
208.03740	0.5
209.08554	0.2
211.02846	0.2
211.06441	0.7
213.07977	4.5
215.05852	0.5
216.02997	0.3
216.06642	0.2
217.05498	0.4
217.07426	2.5
219.01736	0.5
220.99815	0.4
221.08635	0.3
223.02817	0.4
223.06096	0.8
223.08478	0.7
225.07973	1.7
227.05946	0.4
229.07458	3.6
231.09050	6.8
237.04384	0.6
237.07898	1.0
239.09579	2.4
241.11143	2.7
242.08224	0.5
243.09065	2.6
244.99680	1.2
245.10582	0.4
247.08582	3.0
249.07986	0.4
251.09518	3.7
253.11122	0.7
255.09018	4.7
257.10608	2.0
259.12161	3.7
260.09412	0.4
261.10110	0.7
262.08743	0.3
264.12643	0.3
267.08981	0.4
269.10602	20.7
270.10898	0.6
271.12274	0.6
273.10092	3.8
278.10751	0.2
279.08978	1.6
280.09821	1.5
283.12228	0.2
285.10062	0.4
287.11655	11.5
288.12512	0.3
292.12149	1.8
297.10062	2.7
298.10809	0.9
299.11774	0.3
307.15814	0.5
310.13187	0.7
313.14853	0.5
315.11081	1.5
316.11929	0.2
323.19177	0.2
331.11945	0.5
331.15787	6.5
337.16980	0.2
349.16840	13.5
350.17087	0.3
367.17905	100.0
368.18323	3.0
372.18607	1.0
385.18958	21.5
386.19305	0.7
390.19388	0.5
394.55820	0.2
408.20572	8.1
409.20660	0.5
427.19791	0.3
453.18161	0.5
487.22290	0.4
495.18823	2.6
513.20044	0.5
514.07629	0.3
529.22235	0.3
555.21173	0.3
573.22186	0.6
632.46832	0.5
633.47241	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2731
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
55.05480	0.9
67.05492	1.5
69.07058	0.8
69.10724	0.6
69.41695	2.0
69.42120	3.1
79.05518	0.7
81.07052	1.5
88.20071	0.6
89.06083	1.1
91.05484	1.1
93.07050	1.1
95.08620	1.1
98.21532	1.2
105.07060	1.2
109.10179	0.9
110.43565	0.5
133.10167	0.8
134.06010	4.7
136.03929	7.5
136.04800	0.7
137.04269	0.8
175.46527	0.6
351.47693	0.6
378.61002	0.6
404.12543	2.0
405.12738	2.9
517.25110	1.2
611.46960	0.9
629.27484	100.0
629.37701	11.8
630.27637	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	629.224
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
55.05514	0.6
67.05517	1.0
71.43022	1.0
79.05492	1.3
81.07072	1.2
91.05492	1.0
93.07079	0.7
95.08605	0.9
105.07043	1.4
109.32410	0.5
117.07085	0.8
131.08620	0.8
136.45790	0.6
157.10097	0.6
158.69725	0.5
192.86913	0.5
202.85233	0.5
239.16296	0.5
243.11325	0.8
333.20758	0.5
335.25711	0.9
396.12283	1.3
397.13226	3.2
398.13892	1.5
399.14554	1.6
400.15396	1.1
409.13113	0.7
410.13638	4.5
411.14426	7.1
412.15265	5.3
413.16183	4.7
414.16763	1.1
418.41983	0.5
423.14694	2.1
424.15933	3.5
425.16245	17.8
426.16891	8.6
427.17752	3.6
428.18478	3.7
437.16449	1.0
438.12323	4.3
439.13544	21.5
440.13602	1.0
440.19058	8.5
441.19287	43.2
442.20090	2.3
443.63428	0.6
451.14005	0.6
452.14005	4.0
453.15399	24.9
454.15881	7.0
455.21255	0.7
456.18433	1.4
457.15045	1.6
463.13846	0.9
466.17160	0.6
467.17130	27.7
468.17841	22.2
469.18854	11.9
470.16171	0.9
471.16815	2.8
472.17517	1.3
480.16995	0.8
481.14615	10.7
482.15939	2.5
483.17172	0.7
484.21683	3.6
485.17575	2.4
486.19019	1.5
494.18152	0.7
495.16434	2.0
495.21191	1.6
496.17188	12.6
497.17551	2.3
498.18774	1.7
499.19803	1.7
500.20789	4.4
508.19168	0.7
509.18219	1.9
512.21051	3.4
513.21722	6.4
514.22015	0.9
523.19177	1.7
526.18378	0.9
528.20270	1.4
531.22192	0.8
537.18158	1.1
541.20844	51.8
542.20673	2.3
551.18939	0.6
553.20581	0.9
554.17908	0.8
556.17102	0.7
569.20282	100.0
570.20660	4.4
572.18933	1.4
573.23724	3.5
573.31763	0.8
597.19696	30.0
598.19794	0.7
600.21887	1.6
601.22906	16.3
615.20428	2.0
629.22260	76.4
630.22339	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	628.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
55.05503	2.5
57.03432	4.9
57.07068	0.7
61.02687	0.4
61.02924	5.3
65.03930	0.5
66.78635	0.4
67.05502	14.8
67.50748	0.4
69.03414	2.0
69.07061	5.4
70.06590	3.7
71.04972	1.3
71.11919	0.8
71.12253	0.6
72.08125	1.3
73.02929	2.2
79.05488	7.4
81.03411	1.1
81.07051	19.0
83.04974	2.0
83.08614	3.7
84.04509	1.0
84.08128	1.5
85.02898	8.2
85.06544	1.6
86.09707	3.6
87.04435	0.5
89.33403	0.4
91.03951	6.1
91.05475	4.7
91.51243	0.5
92.05776	0.5
93.07039	14.3
95.04958	1.6
95.08598	5.3
97.02886	4.0
97.06516	3.4
97.10160	0.5
99.08086	1.4
103.05397	0.5
105.07001	2.0
107.04939	0.9
107.08585	7.5
108.08111	0.6
109.02869	0.7
109.06519	1.1
109.10130	1.1
111.04433	0.4
111.08073	2.4
113.09631	0.6
115.03939	1.1
116.98517	0.4
117.06988	2.8
117.07717	0.5
119.08503	0.5
120.08084	2.3
121.06494	0.8
121.10143	5.9
123.11668	0.5
127.03915	2.7
129.10184	0.7
131.04959	0.6
131.08563	2.2
133.10120	2.0
135.08060	1.6
135.11676	3.3
136.07588	0.6
137.05994	0.6
139.11110	0.5
145.04927	2.7
145.10117	0.6
147.04393	0.5
147.11632	0.6
149.13239	14.5
151.11143	0.4
157.10138	0.5
159.11696	5.5
161.09592	0.5
163.03915	0.9
163.06052	2.6
163.07210	0.5
164.10799	0.4
167.07054	2.6
168.07373	0.5
175.07426	0.6
175.11227	0.6
177.00923	0.5
177.05432	0.7
177.12717	1.8
181.04903	1.3
195.13817	3.6
207.06416	0.4
209.08005	0.7
213.14883	0.7
233.08252	0.8
269.17459	100.0
270.17752	0.9
271.07123	0.5
330.04041	0.5
368.11841	0.5
431.22723	2.6
628.30817	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.6
55.05507	3.5
57.07072	30.8
67.05494	3.7
69.07056	5.4
71.04958	0.6
71.08627	33.0
71.16850	1.4
73.06553	7.5
75.26641	0.5
79.05474	2.6
81.07058	5.0
82.07384	1.2
83.08610	4.9
85.10180	19.0
87.04463	6.7
89.06025	100.0
91.05468	1.7
91.07594	1.1
93.07040	2.2
95.08596	3.2
97.06548	1.1
97.10159	5.6
99.11725	2.0
105.07024	2.2
107.04998	0.6
107.07063	5.3
107.08601	2.0
108.08865	0.6
109.10159	1.5
111.11723	2.9
113.13275	2.3
117.07016	1.0
117.09126	6.0
119.08565	1.9
121.10172	1.5
125.13248	1.4
127.14842	2.0
130.08646	3.1
131.07040	2.2
131.08559	0.7
133.08594	51.1
135.10139	1.2
135.11668	1.2
135.79427	0.7
141.16385	0.9
144.82356	0.6
145.10092	1.0
151.09676	0.7
152.24832	0.6
155.17958	0.7
159.11708	1.0
161.11746	0.9
175.09662	1.5
177.11215	19.1
197.22691	1.7
221.13806	3.6
239.14905	1.9
241.25281	2.1
257.19208	0.7
259.12454	0.6
275.20157	1.8
276.20413	1.2
283.17664	1.4
285.27878	6.5
322.69766	0.6
327.20303	1.2
329.30515	3.4
336.26108	0.7
415.25427	5.2
465.36288	0.6
526.07843	0.7
610.45294	1.8
611.47302	5.0
628.48083	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	627.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20162	1.5
53.03951	5.9
55.01873	11.6
55.05508	33.5
57.03432	10.1
57.07080	2.8
57.79029	1.6
65.03944	3.4
67.05502	100.0
69.03425	4.8
69.07063	28.4
71.04985	5.8
71.47956	2.0
79.05492	70.6
81.03410	2.9
81.07052	93.8
83.04986	9.3
83.08615	16.0
85.06545	4.8
91.05479	58.6
93.07040	67.7
95.04959	16.5
95.08604	54.5
97.06519	18.5
97.10132	10.2
99.08099	3.5
102.92329	2.1
103.05481	2.6
105.07026	48.5
107.04361	1.8
107.04945	8.3
107.08591	44.2
109.06483	8.9
109.10149	21.6
111.08084	4.7
115.05440	3.2
117.07007	19.4
119.08570	42.0
119.09338	3.1
121.06523	3.7
121.10135	30.4
123.08051	5.3
123.11680	10.4
125.09666	5.2
128.06212	1.7
129.06960	9.6
129.17247	1.6
131.08559	33.0
131.09483	2.0
133.10120	28.6
135.08067	4.9
135.11676	18.7
137.09596	3.3
137.13274	2.0
139.11208	3.0
141.07010	3.7
143.08559	11.7
144.09293	2.0
145.10109	25.1
147.11676	25.1
149.09573	15.2
149.13284	8.0
151.11243	2.5
155.08583	5.4
157.10115	12.1
159.08067	2.6
159.11673	17.8
161.09653	3.3
161.13303	7.4
163.11192	5.7
163.14859	3.1
165.12825	4.0
167.08549	2.3
169.10149	6.7
171.11720	7.2
173.12001	2.3
173.13220	10.4
175.11218	3.0
175.14784	5.3
179.14333	2.6
183.11746	5.8
185.13274	8.4
187.11148	1.9
187.14885	6.3
189.11252	3.8
197.13274	4.7
199.14876	6.3
201.16423	3.0
205.15952	4.0
209.13318	2.1
211.14844	2.6
213.16486	3.4
219.17345	3.3
223.14911	2.6
224.37881	1.6
225.16446	2.8
227.12831	7.3
229.19576	3.4
239.17969	2.9
247.20662	2.9
257.19012	8.8
259.20596	4.1
261.22147	6.3
263.28574	1.9
267.15836	2.8
273.18466	2.2
275.20038	51.5
277.21710	3.0
293.21072	4.9
335.25809	27.5
343.20547	2.4
349.23694	19.9
391.46692	1.9
517.40393	4.4
535.41205	4.8
553.42285	2.9
555.40674	4.6
591.44397	2.2
609.45087	42.1
627.46124	64.6
628.45721	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	627.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	14.4
57.03430	18.5
57.07082	2.6
67.05499	49.1
69.07060	13.8
70.39944	1.8
70.62009	1.8
79.05485	40.5
80.12417	2.1
81.03416	2.5
81.07053	54.5
83.04945	1.9
83.08598	8.2
85.06546	2.9
91.05476	44.1
93.06463	3.2
93.07037	47.4
95.04954	8.8
95.08601	36.5
97.06477	4.0
97.10131	2.2
99.04442	2.4
105.07018	29.7
107.04951	5.8
107.08587	24.2
109.06522	6.9
109.10151	10.3
117.06988	13.9
119.08571	22.8
121.06494	2.1
121.10125	12.4
123.11685	2.8
129.07022	3.5
131.08566	26.9
133.10114	14.9
135.11687	8.3
145.10074	14.0
147.11685	7.3
149.09538	3.3
149.13258	2.6
157.10051	2.2
159.11665	7.5
161.13242	6.3
173.13313	2.9
175.14882	2.8
185.13251	2.2
189.57466	1.9
201.16441	3.8
203.14240	2.7
219.17419	100.0
257.19131	2.7
275.20041	16.2
335.25784	48.5
349.23688	8.2
425.89496	2.5
480.72504	2.4
609.45056	27.9
627.45856	2.7
636.34949	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.9
53.03933	5.4
55.01870	16.2
55.05508	38.3
57.03214	1.5
57.03439	15.8
57.07062	4.9
65.03934	4.7
67.05501	93.7
69.03413	2.9
69.07066	33.4
69.28638	18.1
71.04983	5.8
72.16711	1.7
79.05489	76.6
81.03404	4.2
81.07050	100.0
83.04979	6.8
83.08612	20.6
85.06529	5.9
90.23200	1.4
91.05474	64.1
93.07037	75.5
95.04973	15.9
95.08601	66.6
97.06517	23.2
97.10165	12.0
99.08078	5.3
105.04540	2.9
105.07029	60.8
107.04966	13.8
107.08586	51.1
107.09283	3.2
109.06518	10.6
109.10158	30.5
111.04437	2.0
111.08096	3.7
113.09628	3.4
115.05427	3.1
117.07011	23.2
119.08566	52.3
121.06531	4.2
121.10133	30.8
123.08013	8.0
123.11699	11.5
125.09636	8.6
128.05214	1.5
128.06197	3.1
129.06995	12.8
131.08556	36.6
133.06516	2.1
133.10123	38.0
133.11087	3.2
135.08064	5.1
135.11708	17.4
137.09613	4.2
137.13326	1.6
141.07005	4.5
142.07802	3.1
143.08563	16.4
145.10124	33.0
147.08096	3.2
147.11671	25.4
149.09621	21.7
149.13226	9.8
151.11191	2.0
153.12805	1.8
155.08508	9.7
156.09364	2.2
157.10110	17.7
159.11678	27.7
161.09514	1.9
161.13246	12.5
163.11192	6.2
163.14807	5.4
167.08673	1.7
169.10056	8.6
170.11006	2.3
171.11653	14.6
173.13237	18.6
175.11151	2.3
175.14839	4.3
177.12805	2.1
181.10133	5.2
183.11644	8.0
185.13251	12.7
187.11223	3.3
187.14828	6.7
189.11256	5.8
189.16508	3.0
191.14384	2.8
195.11731	4.3
197.13347	6.9
199.14844	6.2
201.16429	6.9
203.14372	3.2
209.13306	3.2
211.14748	4.2
213.16457	4.0
215.17938	2.1
217.15973	2.5
219.17363	11.0
223.14874	4.0
225.16411	2.1
227.12834	5.7
227.18016	4.1
229.19608	2.8
237.16420	2.7
239.17986	5.9
241.19478	4.1
243.21155	2.3
247.20619	4.9
251.17865	1.9
257.18985	8.3
259.20660	6.6
261.22174	7.4
265.27505	1.7
267.15979	7.5
275.20044	71.9
277.21823	2.9
293.21066	9.1
313.21936	2.1
315.23077	2.2
331.22684	2.5
333.24268	4.8
335.25790	53.0
349.23743	23.1
351.25577	3.1
367.30099	2.2
385.31070	2.0
403.29425	2.1
423.32211	2.1
431.32352	1.8
489.37189	2.1
505.35144	2.2
515.37506	3.5
517.40430	8.0
535.41327	9.3
536.52686	2.0
545.38385	2.5
553.42542	3.5
555.40472	13.4
563.25275	1.7
609.45099	66.1
627.46173	58.5
628.46539	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	627.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.5
55.01867	17.7
55.05508	30.5
57.03436	16.0
57.07065	5.8
65.03941	4.4
65.28581	1.6
67.05502	92.3
69.03418	3.4
69.07063	34.5
70.85695	3.3
70.86020	2.6
71.04982	6.6
77.03909	2.0
79.05489	68.8
81.03429	2.5
81.07053	100.0
83.04977	9.2
83.08617	18.9
85.06538	4.3
89.06056	2.0
91.05474	58.6
93.07038	65.3
94.00126	1.9
95.04963	13.0
95.08601	64.6
97.06526	23.0
97.10178	11.4
99.08086	5.6
105.07025	66.5
107.04965	11.0
107.08586	54.2
109.06519	15.0
109.10149	35.7
111.08045	5.7
113.09627	2.1
115.05474	2.0
117.07026	21.7
119.08573	49.3
121.06526	5.1
121.10139	31.7
122.12893	2.5
123.08041	3.1
123.11675	10.6
125.09645	11.6
128.06209	4.3
129.06985	16.8
131.08559	40.0
133.06532	2.1
133.10123	38.7
135.08076	3.4
135.11676	24.8
137.09593	3.6
137.13306	2.4
141.06999	4.2
142.07722	2.5
143.08571	18.2
145.06441	3.2
145.10110	36.7
147.08014	3.2
147.11690	25.8
149.09604	19.2
149.13231	9.9
151.11169	2.8
155.08546	6.4
157.10118	22.4
159.11676	27.9
161.09654	4.4
161.13284	12.9
163.11200	9.6
163.14836	4.9
165.12740	4.1
167.08582	2.3
169.10081	11.6
171.11668	16.3
173.13242	15.1
175.14871	5.1
177.12788	4.4
181.10121	3.4
183.11661	8.9
185.13258	10.8
187.14809	8.6
189.11270	3.5
189.16422	2.6
195.11650	5.4
197.13287	8.5
199.14798	9.4
201.16389	6.7
203.14322	2.2
209.13339	3.1
209.15298	2.2
211.14803	4.8
213.16411	5.6
215.17999	3.3
219.17453	9.7
223.14873	2.7
225.16412	2.7
227.12859	6.9
227.18040	3.7
229.19592	5.7
239.17940	5.4
243.21002	3.6
247.20712	3.6
257.19040	7.0
259.20642	4.6
261.22089	5.6
267.15790	4.8
275.20035	71.3
277.21780	3.6
293.21194	6.2
296.14569	1.8
329.25055	2.0
331.22159	2.1
333.24142	6.0
335.25821	41.0
335.29831	2.5
349.23740	20.6
367.29773	4.6
441.33795	2.6
463.35480	2.0
515.36841	5.7
517.40204	5.6
535.41351	6.7
543.40149	2.1
553.42023	5.6
555.40234	11.2
591.43829	3.0
609.45068	63.5
610.45398	2.5
627.46155	58.4
628.46924	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	627.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.4
55.01868	12.4
55.05255	3.1
55.05509	38.4
57.03439	15.2
57.07073	4.8
59.04982	1.6
64.38732	1.7
65.03938	4.5
67.05503	90.8
68.52818	1.6
69.03434	2.9
69.07066	32.3
69.28426	9.7
69.28857	7.1
71.04993	4.1
71.08627	2.0
77.03968	2.2
79.05490	70.8
81.03415	4.1
81.07052	100.0
83.04985	6.7
83.08614	15.4
85.06560	6.1
91.04895	2.0
91.05004	1.0
91.05479	59.8
93.07040	71.0
95.04976	12.1
95.08601	67.0
95.09229	2.1
97.06532	19.4
97.10172	10.4
99.08106	5.3
103.05506	2.3
104.31262	1.7
105.07023	63.4
107.04930	9.9
107.08587	47.6
107.09282	3.0
109.06522	14.2
109.10155	33.4
111.08105	5.6
113.09665	2.4
115.05458	1.6
117.07008	24.4
119.08576	48.1
121.06526	4.0
121.10143	29.0
123.08100	5.3
123.11691	12.2
125.09640	6.5
128.06232	4.1
129.07014	12.7
131.08559	35.4
133.10121	33.2
133.11057	2.0
135.08086	6.5
135.11713	18.5
137.09648	5.5
137.13277	2.6
139.11273	1.7
141.06996	3.7
142.07777	3.3
143.08562	17.1
144.09366	2.2
145.10127	33.7
147.08028	2.5
147.11682	28.9
149.09598	14.5
149.13304	11.5
149.61011	1.7
151.11229	4.9
154.07874	2.2
155.08551	8.2
157.10127	17.1
159.11696	25.8
161.09651	2.6
161.13269	14.7
163.11232	6.8
163.14839	4.0
165.12814	2.9
167.08533	2.1
169.10156	11.6
171.11671	12.6
173.13235	17.1
175.11227	2.7
175.14880	5.0
177.12730	3.7
177.16333	2.0
181.10158	3.7
183.11719	10.3
185.13271	14.7
187.11380	1.8
187.13383	1.7
187.14754	7.9
189.11258	4.5
189.12831	3.1
189.16415	3.0
191.14363	2.1
193.12329	1.8
195.11794	4.0
195.13756	1.6
197.13239	7.7
199.14841	8.1
201.16386	4.1
203.14375	3.4
209.13385	3.7
209.15259	2.0
213.16499	4.1
215.17975	3.0
219.17422	10.5
223.14899	3.3
225.16422	3.9
227.12784	4.8
229.19530	4.1
235.14856	2.2
239.18031	5.0
241.19524	3.1
243.21109	1.9
247.20610	4.4
249.16385	1.8
257.18954	10.1
259.20648	5.1
261.22220	5.5
267.16028	7.0
273.18433	2.4
275.20050	69.4
277.21738	4.5
285.97601	1.6
293.21207	6.2
297.22229	2.0
315.23679	1.8
325.22018	2.0
333.24402	4.9
335.25833	44.9
343.26724	1.9
349.23691	29.9
349.28058	1.9
351.26151	2.0
366.68967	1.8
367.30154	2.7
381.28061	1.7
423.32382	1.8
515.37360	3.6
517.40399	5.7
529.39429	3.0
535.41748	7.8
537.39209	2.2
553.42682	5.3
555.40326	16.5
591.44019	2.3
609.45160	66.3
610.45154	2.1
627.46228	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	627.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12040	0.2
56.60077	0.2
56.96471	12.6
56.96786	2.9
67.05431	0.2
70.32606	0.8
71.95160	1.8
71.95598	0.4
72.95966	0.4
74.97508	1.0
79.05385	0.2
84.95919	1.3
86.97486	0.2
92.98556	0.3
97.96725	0.8
98.21410	0.2
98.97533	0.3
105.00101	0.3
110.97537	1.7
115.97711	1.1
116.98539	0.5
123.01087	0.7
124.72305	0.2
127.92578	0.2
128.98605	5.9
131.00066	0.4
133.98747	0.7
134.99544	0.4
137.02644	0.4
141.02156	0.4
143.00067	0.3
146.99646	7.8
147.03181	0.2
148.35217	0.2
149.01086	0.2
151.00540	0.2
152.00116	0.3
155.03639	0.8
161.01234	1.5
161.04790	0.5
165.00723	2.1
169.01700	0.3
169.05215	0.6
170.01158	0.7
171.03223	0.5
174.01930	0.2
175.02721	0.4
175.06422	0.3
179.02158	0.7
185.04788	0.4
187.02689	0.4
189.04333	1.6
190.05014	0.3
191.03517	0.2
191.05788	0.2
193.03769	0.3
199.06366	0.5
201.04289	0.4
203.05862	1.2
208.06125	0.4
209.04820	0.3
215.05826	0.4
217.07359	0.3
221.06683	0.2
221.08566	0.3
223.06407	0.2
223.08353	0.3
225.07825	0.6
226.08813	0.3
227.05829	0.3
227.09436	0.5
235.06384	0.4
235.09970	0.3
237.07700	0.2
237.09831	0.3
239.05859	0.2
239.09547	0.3
241.11208	0.9
243.08983	0.5
244.09779	0.3
245.10582	0.8
249.07887	0.4
252.10178	0.2
259.12186	1.7
261.08066	0.2
263.09537	2.7
264.10233	0.5
265.11014	0.5
267.09152	0.2
267.12790	0.2
273.13727	0.3
277.11194	1.2
281.10498	0.9
282.11237	0.4
283.12192	0.5
289.11166	0.6
291.12762	0.3
303.12668	1.8
308.94424	0.2
313.14954	0.6
315.16284	34.6
316.16559	0.4
317.14166	0.5
321.13654	0.8
326.14252	0.2
331.15768	2.3
333.17352	100.0
334.17599	1.2
349.16870	0.6
351.18408	25.8
352.18652	0.2
354.16986	0.3
356.18970	10.1
357.19135	0.2
369.19574	0.5
374.20001	3.6
420.54575	0.2
551.55798	0.2
591.37323	0.3
627.21344	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2812
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
62.22155	0.9
67.05509	2.5
71.60383	1.0
71.60744	1.6
72.99648	1.0
79.05495	1.7
81.07053	2.2
82.81124	0.9
82.94272	0.9
91.05489	1.9
93.07067	1.1
95.93536	0.9
105.07075	1.2
107.08600	1.0
117.07067	1.3
119.08499	1.6
131.07288	1.3
131.08554	1.4
136.07591	2.0
138.09198	1.1
146.09712	1.5
174.09164	4.3
182.09796	1.0
186.09267	1.4
187.08618	1.2
187.12289	5.4
188.10780	1.9
210.07759	1.2
211.08707	2.3
213.64221	1.0
215.11871	3.8
225.10275	3.8
227.11900	2.8
235.08688	2.2
237.10133	1.5
238.07455	1.2
239.11871	3.2
241.09721	1.4
241.13426	2.7
243.11285	24.0
243.13611	1.7
249.10323	1.7
251.11978	2.7
253.09843	2.4
262.10922	1.2
265.09833	2.0
267.11227	6.5
269.12958	1.8
277.09732	2.9
285.12488	2.9
292.19113	2.1
293.19458	1.2
295.10788	2.6
299.14182	1.6
301.15448	2.9
304.10776	1.0
306.12518	1.4
309.12421	2.7
314.12958	1.8
315.10419	1.1
316.10934	1.2
316.14474	1.2
319.10452	1.3
323.13980	1.2
325.15515	8.1
327.13467	5.7
328.10815	2.1
328.14429	2.4
329.11777	1.9
329.15692	1.1
330.12341	2.6
331.13370	2.0
334.15799	1.3
341.11957	1.5
342.12280	4.9
343.13235	4.2
344.14075	4.0
345.14853	1.2
346.15619	2.6
348.13541	2.7
349.61185	1.0
351.13693	1.2
356.14020	4.6
357.14874	1.6
358.15573	3.3
368.14005	1.4
370.11679	1.4
370.15680	2.6
372.17181	4.9
386.14587	1.5
386.19028	2.2
391.57300	1.1
400.16901	1.9
404.16461	1.5
418.18033	2.0
421.16791	1.2
422.17755	1.2
423.18204	1.2
431.18027	1.8
432.19095	3.7
435.14084	2.0
436.15164	2.3
437.19757	2.9
447.21915	2.9
449.20062	2.2
450.16513	1.6
460.18338	2.8
461.23599	1.6
462.24628	2.2
463.21878	2.3
464.18524	1.1
465.19189	11.6
466.20123	1.1
478.20010	1.8
479.20483	6.6
480.21567	3.2
481.22357	3.9
490.20615	1.8
492.21640	3.7
493.23022	5.1
495.16467	5.8
504.21216	2.9
507.23660	3.5
510.44058	1.2
517.22693	1.5
521.25641	1.3
535.23315	7.0
549.24915	11.4
553.24261	2.4
567.18573	6.6
567.26099	63.5
568.26959	2.1
577.24658	2.2
585.19604	1.5
595.25507	42.6
627.28168	100.0
627.44757	3.0
628.20905	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	627.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
54.59869	0.1
55.01859	0.3
57.03421	0.6
61.02924	1.0
62.60090	0.2
64.47986	0.1
68.99783	0.3
69.03425	2.1
71.04967	0.4
71.11420	0.3
73.02905	0.3
81.03417	1.1
83.01344	0.2
83.04965	0.1
84.08132	0.2
85.02898	6.2
87.04471	0.2
91.03942	0.2
93.03405	0.3
95.04963	0.2
96.10316	0.1
97.02885	2.1
99.04436	0.4
109.02864	0.8
111.00784	0.9
121.02863	0.7
123.04425	0.2
127.03916	1.4
137.01357	0.2
137.02335	2.7
145.04941	1.0
146.49825	0.1
149.02296	0.4
153.01816	2.4
161.05940	0.2
163.03885	0.6
165.01834	1.8
166.02603	0.3
173.06015	0.3
183.02890	0.7
183.04271	0.2
187.03886	0.2
201.05464	1.2
205.04916	0.2
219.03029	0.2
219.06537	0.2
228.04314	0.2
229.04951	3.9
246.05394	0.2
247.05916	0.6
257.04456	2.7
270.05045	0.2
274.04730	0.7
275.05606	0.2
285.03949	1.1
303.04968	100.0
304.05322	2.1
319.04434	0.2
345.05966	0.2
425.86880	0.1
465.10275	6.7
473.87167	0.2
538.73364	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	627.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05909	0.1
55.01875	0.1
55.27865	0.1
57.03419	0.3
61.02922	4.2
68.99793	0.4
69.03426	0.9
70.06574	0.2
70.90857	0.2
71.01318	0.1
73.02914	1.0
73.88875	0.1
81.03403	0.5
84.08123	0.1
85.02900	3.9
91.03945	2.2
93.03384	0.3
95.04917	0.1
97.02885	2.2
99.04420	0.2
105.51128	0.1
109.02895	0.6
111.00778	0.8
115.03905	0.2
121.02853	0.7
123.04418	0.2
127.03201	0.1
127.03922	1.0
133.02901	0.1
135.04388	0.2
137.02321	3.2
145.04926	0.5
147.04398	0.1
149.02379	0.5
151.84180	0.1
153.01811	2.9
155.04848	0.1
161.05946	0.2
163.03868	0.6
165.01822	2.0
166.02600	0.2
171.02907	0.1
173.06012	0.3
183.02869	0.7
183.04448	0.3
187.03906	0.3
195.02853	0.2
201.05450	1.3
205.04947	0.3
207.02916	0.1
219.02890	0.1
219.06508	0.3
228.04266	0.2
229.04933	3.7
239.03299	0.1
247.06055	0.7
251.27640	0.1
257.01749	0.2
257.04434	2.5
274.04697	0.8
275.05524	0.2
285.03943	1.2
286.04605	0.1
303.04962	100.0
304.05191	0.5
315.04904	0.1
345.05740	0.1
359.46451	0.1
369.06192	0.1
465.10275	7.9
609.18988	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82040	2.2
53.03944	5.7
55.01855	5.7
55.05507	33.1
56.29101	2.6
57.03440	13.2
57.07072	3.6
59.42043	2.6
62.62989	2.5
62.93908	2.4
63.36119	2.6
65.03915	4.0
67.05171	4.3
67.05505	64.3
69.07074	24.4
71.04971	2.7
76.85384	2.5
79.05490	59.2
81.03331	2.8
81.07053	67.7
82.31197	2.7
82.46842	2.2
83.04948	3.0
83.08607	10.5
85.06528	3.4
91.05479	77.0
93.07042	55.6
95.04997	12.1
95.08600	50.4
97.06535	6.7
97.10154	6.9
98.21582	5.3
103.05427	2.8
105.04525	2.7
105.07024	61.9
107.04971	2.9
107.08588	26.8
109.06492	7.9
109.10171	12.8
111.08096	2.8
115.05444	7.9
116.06192	4.5
117.07009	40.9
118.09844	2.7
119.08582	32.9
120.67166	2.5
121.06498	4.3
121.10143	19.4
123.08093	8.5
123.11686	6.2
128.06212	17.3
129.07016	24.0
130.07762	7.5
131.08565	60.5
133.06470	7.4
133.08630	3.0
133.10117	23.9
135.08026	6.0
135.11687	12.1
139.11081	3.1
141.06966	6.7
142.07784	5.5
143.08551	59.1
145.06487	4.9
145.10112	62.6
147.08026	8.9
147.11665	11.5
149.09590	6.3
149.13226	5.2
150.82622	3.2
154.07726	3.9
155.08556	6.8
157.10146	18.9
159.11705	18.1
161.09615	8.7
161.13228	3.9
163.11220	5.2
165.07021	3.2
169.10112	10.3
171.11659	17.5
173.13277	7.0
175.11104	8.2
181.10136	7.9
183.11670	8.2
185.13260	4.6
195.11714	14.0
195.13239	3.1
197.13136	3.5
209.13028	3.6
211.14784	3.2
213.12650	3.6
215.12297	3.1
227.17932	4.5
237.16364	12.9
245.19067	5.4
255.17458	14.1
261.22171	5.1
273.18491	52.7
335.25754	100.0
347.22183	20.2
381.65945	2.6
537.25073	3.6
597.26587	4.0
607.43213	11.6
625.34058	13.7
625.45178	10.8
626.33813	2.9
653.02179	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	625.358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82260	5.2
55.01854	5.5
55.05513	11.4
66.19781	5.4
67.05508	26.4
69.07050	8.9
70.82996	17.3
79.05495	21.5
81.03430	5.3
81.07044	29.8
83.08613	7.6
87.63351	5.1
91.05476	20.6
93.07053	21.2
95.04971	8.5
95.08601	21.5
97.06529	7.5
105.07031	23.0
106.69908	4.8
107.08601	14.0
108.55094	4.7
109.06541	7.5
109.10122	6.1
117.07056	16.2
119.08586	19.8
121.10114	7.0
122.72272	4.8
123.65094	5.0
129.07011	7.0
131.08569	23.3
133.10158	7.0
135.11702	6.4
143.08549	9.9
145.10097	9.2
157.10144	10.4
159.11732	5.4
301.92621	5.3
356.35175	6.0
371.25684	14.4
389.26895	11.2
445.29517	100.0
463.30557	20.3
625.36938	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	5.3
55.05495	18.0
56.96552	17.4
57.03432	7.4
67.05486	17.5
69.03436	23.8
69.07055	26.0
70.06579	19.2
70.94912	8.1
70.95236	7.0
72.08169	6.6
79.05492	15.0
81.03415	17.5
81.07053	68.9
83.08635	6.9
84.08134	9.5
85.02882	17.8
85.06539	8.4
86.09699	13.2
87.00834	9.9
91.05469	16.6
93.07043	34.4
95.04961	10.5
95.08601	54.3
97.02882	11.5
97.06547	12.3
97.10173	18.9
99.04484	6.1
102.24138	4.9
105.01876	4.6
105.07001	12.1
107.04930	18.9
107.05612	5.3
107.08582	40.1
109.02868	12.7
109.06487	6.8
109.10146	23.3
111.08057	10.6
116.98623	5.2
117.07060	5.4
119.04915	8.4
119.08586	10.0
121.06509	6.8
121.10134	21.9
123.11702	31.0
127.03921	14.1
131.04932	6.1
133.10158	12.2
134.12730	5.0
135.04427	5.1
135.11668	10.5
136.07509	5.5
137.05928	7.3
137.13239	11.2
139.11145	8.1
145.02846	15.8
145.10182	5.1
147.11584	6.1
149.01167	7.0
149.13274	13.8
157.12227	10.9
159.11534	4.7
161.13359	7.0
162.91631	5.1
163.03931	13.5
167.07042	19.3
177.00551	5.5
177.05501	29.1
181.04930	31.2
187.13297	8.7
187.14828	5.2
193.04947	15.0
207.06512	5.1
237.18492	7.6
238.64085	6.2
245.08220	11.0
263.06815	5.3
273.11603	8.0
305.24738	31.4
310.33664	5.1
323.25894	23.8
333.13608	9.4
341.17896	9.6
359.22217	7.3
367.21509	5.3
399.14319	7.8
401.19958	7.7
416.14627	16.4
521.24084	7.1
539.26599	8.5
581.28461	20.3
607.25513	19.8
625.27344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	6.4
55.05507	20.5
67.05511	37.2
69.03479	8.3
69.07069	14.2
71.60203	7.1
72.21576	6.7
79.05486	28.0
81.07031	44.2
83.04962	7.2
83.08612	8.0
91.05472	51.7
93.07043	31.7
95.08607	30.8
105.07032	40.6
107.08598	19.2
109.10182	10.9
117.07008	22.3
119.08576	18.7
121.10156	12.9
129.07056	12.0
129.15007	6.2
131.08563	31.1
133.10126	19.3
135.11671	6.4
143.08534	9.3
145.06358	8.4
145.10143	19.7
155.08492	8.0
157.10107	9.3
159.11696	14.0
163.04088	7.2
169.10118	8.6
173.13228	7.8
177.12727	6.2
183.11707	7.8
220.99361	7.6
222.87717	6.8
262.02765	6.8
309.73413	7.8
353.24591	14.9
361.20273	7.1
371.25940	16.4
389.26678	17.7
408.61261	6.8
445.29489	100.0
463.31284	46.7
625.32300	30.9
649.51007	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	625.1765
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
51.24020	0.2
53.03946	0.3
55.01868	0.3
55.05499	0.4
57.03442	2.1
61.02932	2.4
65.03933	0.4
67.05493	0.3
69.03432	0.5
70.00037	0.9
70.06581	0.7
70.86215	0.2
71.04995	12.1
72.08141	0.5
72.47375	0.2
73.02895	0.6
75.04468	0.7
81.03414	0.4
83.04970	0.4
84.08127	0.3
85.02907	14.8
86.09704	0.5
87.04457	0.3
91.03952	0.9
92.02611	0.7
93.03397	0.8
93.07025	0.3
97.02885	1.2
98.20809	0.3
99.04431	0.3
100.11264	0.3
107.04926	0.2
110.07214	0.2
111.04427	0.5
120.08078	0.2
121.02852	0.7
126.03108	0.4
127.03899	0.5
128.07115	0.2
129.05492	3.4
132.08142	0.2
139.03886	0.8
145.05035	0.3
147.06541	0.9
148.07710	0.2
151.03900	0.9
153.01826	5.9
154.02092	0.2
163.03938	0.3
165.01837	0.6
173.06059	0.2
177.05426	0.5
181.04993	0.3
182.15369	0.4
201.05429	0.5
203.03369	0.3
209.16473	0.2
210.14932	0.6
217.05019	0.5
218.05740	0.3
219.02925	0.3
228.04155	0.9
229.04939	2.7
231.03061	0.2
245.04469	1.1
246.05222	1.4
247.02470	0.2
256.03870	0.2
257.04440	2.4
260.03189	0.4
261.07571	0.2
271.06046	0.2
273.03851	1.6
274.04749	3.9
284.03101	0.4
285.03967	3.9
286.04678	0.2
288.06107	0.2
302.04214	11.5
317.06564	100.0
318.06992	2.4
329.06580	0.3
383.07758	0.2
413.08624	0.2
479.11627	0.4
561.32239	0.2
586.63684	0.2
589.25604	0.2
625.27972	0.4
625.42926	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1764
Annotation	6-Methoxykaempferol 3-robinobioside
Peak:m/z	Relative Intensity
50.32980	0.3
53.03936	0.6
54.74472	0.3
55.01856	0.4
55.05495	1.0
57.03445	1.6
59.94286	0.3
61.02911	1.1
65.03922	0.4
67.05502	1.7
69.03446	1.9
69.07046	1.0
70.06606	1.7
71.04995	9.2
71.59492	0.5
72.08150	0.4
73.02925	0.4
75.04473	0.6
77.53354	0.3
79.05484	1.2
81.03415	1.1
81.07059	3.2
83.04990	0.8
83.08620	0.5
84.04508	0.3
84.08140	0.8
85.02906	13.1
85.06509	0.5
86.09696	1.5
87.04461	0.4
91.03965	0.7
91.05487	1.5
93.07049	1.8
94.06582	0.4
95.04964	1.0
95.08608	2.0
97.02887	1.4
97.06537	0.9
97.10159	0.6
98.97587	0.4
99.04434	0.4
105.07024	1.4
106.04961	0.3
107.04955	1.1
107.08610	1.7
109.02875	1.1
109.06433	0.3
109.10141	1.3
111.04436	0.3
111.08050	0.4
117.03441	0.3
117.06961	0.4
119.08578	0.6
120.08099	0.5
121.02871	0.9
121.06464	0.5
121.10142	1.0
122.09686	0.4
123.04411	0.5
123.08092	0.7
123.11712	0.8
125.02338	0.5
125.09668	0.4
127.03934	1.7
128.10739	0.4
129.05472	2.3
129.10187	0.6
131.08537	0.5
133.06474	0.3
133.10136	0.5
135.04416	0.5
135.11653	0.4
135.48878	0.2
137.02341	2.1
137.05980	1.2
140.10695	1.3
141.09111	0.3
145.02753	0.3
145.04956	0.8
145.06474	0.3
145.10081	0.7
147.04381	0.7
147.06551	0.6
147.11702	0.4
148.05103	0.4
149.05927	0.3
149.13289	0.9
151.03906	1.1
151.11116	0.4
159.07947	0.3
159.11728	0.8
161.06013	0.3
163.03899	1.1
165.05571	0.3
167.03391	2.4
167.07037	1.2
173.05919	0.5
175.07568	0.3
177.05502	0.5
177.12750	0.3
179.03409	1.3
180.04105	0.3
181.04953	2.2
187.07576	0.5
193.04938	0.8
197.04376	0.7
205.08479	0.4
207.06555	0.4
215.07057	1.1
220.07230	0.4
233.08255	0.5
243.06509	3.0
243.15855	0.6
261.07620	0.3
269.17523	1.3
271.06088	1.5
274.04724	2.0
288.06238	0.6
299.05533	0.4
301.11908	0.3
301.20123	0.4
302.04239	2.1
305.24673	0.8
317.06561	100.0
318.06903	1.7
323.25790	1.1
335.12070	0.3
341.26843	0.8
359.22171	0.5
394.19452	0.3
408.31079	0.4
416.14484	2.0
426.32141	0.7
427.32547	0.5
445.24228	0.6
539.28088	0.4
563.27869	0.4
581.28845	0.8
607.26196	0.6
625.27771	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83892	3.2
65.75794	4.3
70.06580	11.4
70.28193	16.1
70.28558	5.2
71.08625	14.9
73.35652	3.8
74.02432	8.0
75.01250	3.7
76.20367	4.1
82.02926	15.7
82.06577	4.1
84.08129	6.8
86.09708	6.1
88.11276	44.1
100.03992	4.8
106.35268	3.9
110.09614	3.9
118.04974	6.2
146.04483	13.6
163.03951	5.2
169.13350	56.4
215.11745	3.3
215.13831	21.3
216.12334	41.0
233.14961	100.0
234.15254	5.9
248.40733	4.4
265.07458	3.6
315.04968	7.8
623.20728	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	623.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93670	1.8
52.58207	1.9
53.03944	5.5
55.01870	5.1
55.05510	20.3
56.96563	3.3
57.03443	9.9
58.88073	1.7
61.02926	19.0
62.11460	1.7
65.03949	3.2
67.05164	3.6
67.05503	44.2
69.03425	7.5
69.07063	15.5
70.06604	2.7
71.04995	5.2
71.17906	2.6
73.02908	7.3
79.05051	3.1
79.05490	33.5
80.96191	1.7
81.03426	6.0
81.07050	34.4
83.04974	4.0
83.08628	13.0
84.08104	1.7
85.02895	19.1
91.03943	10.9
91.05476	42.9
91.06010	3.5
93.07036	32.8
95.04969	10.1
95.08599	27.4
97.02881	14.4
97.06520	5.8
97.10172	3.6
99.08073	2.7
103.05508	3.3
105.07021	41.0
107.04955	11.0
107.08569	16.8
109.06532	6.2
109.10135	11.7
111.08056	2.6
111.21467	1.8
115.05460	5.0
117.07011	31.1
119.04941	2.4
119.08569	21.4
121.06501	8.2
121.10149	9.8
123.08076	5.1
127.03899	4.1
128.06221	6.9
129.06996	33.0
131.04904	6.9
131.08569	39.4
133.06488	7.5
133.10106	16.6
135.08063	3.6
135.11687	3.7
137.05942	2.3
139.11140	2.6
141.06982	14.3
143.08571	24.9
145.06464	9.5
145.10110	19.6
147.08057	6.1
147.11717	4.9
149.09619	6.5
149.13329	2.5
151.02043	1.8
151.11188	1.9
153.06973	2.7
154.07716	2.2
155.08557	24.6
157.06445	3.1
157.10132	15.6
159.08116	5.9
159.11674	9.3
161.05971	4.7
161.09578	3.8
163.11185	4.8
165.07011	4.6
167.07149	3.9
167.08562	13.0
169.06523	2.0
169.10147	18.2
171.08055	4.2
171.11682	9.0
173.09636	5.5
173.11751	2.1
173.13187	3.2
175.11192	4.8
177.12729	4.0
179.08498	3.1
181.04971	2.3
181.10066	13.9
183.11687	11.4
185.09610	3.0
185.13280	6.8
187.11259	2.8
189.12776	2.7
193.10062	4.5
195.11746	12.5
197.13258	6.9
199.11224	3.1
199.14859	3.9
201.12840	2.1
203.14330	2.9
207.11719	5.2
209.13307	6.2
211.11322	2.2
211.14825	5.4
213.12810	4.1
215.14279	4.5
221.13301	6.6
223.14851	8.3
235.14827	3.5
237.16435	3.0
239.14336	5.0
243.13739	2.4
249.16451	2.3
253.15790	2.9
257.15408	3.3
259.16888	4.2
267.17386	2.6
271.16956	2.3
275.16495	2.2
285.18369	2.7
323.23630	5.3
333.22159	11.2
341.24799	6.5
346.18918	1.9
351.23141	47.1
369.24231	35.9
381.19592	2.5
387.25354	17.0
425.26779	5.4
443.27902	100.0
444.28513	2.1
461.28943	68.6
503.30356	3.2
587.31232	3.3
623.34827	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53311	1.0
93.24185	0.8
110.73169	1.0
112.40538	0.9
121.90684	1.0
139.61244	0.9
140.18625	0.9
176.67424	0.9
390.18716	1.5
401.17841	1.8
404.20618	1.3
405.20978	3.3
415.19260	3.4
419.18225	1.2
419.23087	1.1
420.23264	1.3
421.23657	2.0
427.19598	1.1
428.20251	1.3
429.20749	4.7
430.21899	1.8
433.20462	4.0
443.22568	2.0
444.23251	3.0
445.20374	2.7
447.18256	3.5
448.23502	1.2
457.24011	4.3
458.25250	1.2
458.79736	1.0
459.21545	4.6
460.22632	2.4
461.19553	12.8
470.21344	1.6
470.95404	1.4
472.22870	2.2
475.21561	3.5
476.21973	17.6
477.26721	2.3
485.23392	19.0
485.29654	1.6
486.20242	6.0
487.25266	3.0
488.21686	2.3
489.23132	3.5
491.20831	2.7
497.23300	1.6
500.22342	2.7
503.24493	18.3
504.21735	1.6
505.22034	1.7
513.23236	1.9
515.24408	15.0
518.23224	1.5
521.25415	17.8
531.23926	26.5
535.23181	2.8
541.22406	1.5
549.24908	26.2
549.32959	2.0
559.23340	11.9
564.24878	1.2
591.26019	63.2
592.26331	2.9
623.28662	100.0
624.28955	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	623.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17552	0.5
61.36093	0.5
70.85204	1.3
70.85541	0.5
71.00095	0.5
74.35018	0.5
77.99864	0.5
80.35124	0.4
89.77444	0.5
96.01285	0.5
111.30034	0.5
120.55278	0.5
132.91158	0.5
181.79245	0.6
209.10614	0.9
224.13046	0.6
237.13902	0.5
314.26715	0.6
348.08276	0.6
361.14960	0.7
377.17560	1.2
378.18472	0.8
387.16458	0.5
389.17877	0.8
390.18457	1.0
391.19098	2.6
392.19992	2.8
393.20947	1.2
399.16119	0.9
401.17798	1.2
403.19385	0.8
404.20712	0.8
405.21072	2.8
406.21606	3.4
407.22278	8.8
412.17368	0.9
413.17838	1.8
414.18359	2.0
415.19199	4.1
416.20007	0.9
417.21161	0.7
418.21722	0.9
419.22675	1.1
420.23059	2.4
421.23859	9.5
422.24457	2.2
427.19669	1.5
428.20218	1.7
429.20935	8.4
430.22018	2.5
431.22775	0.9
433.24170	2.0
434.24878	1.0
438.20673	0.6
442.21921	1.0
443.22595	6.7
444.23334	5.0
445.20209	1.5
446.21500	0.6
447.17804	1.6
452.22168	0.8
455.18503	0.8
456.19275	1.2
457.24863	3.7
458.24936	7.9
459.21603	8.4
460.22800	2.5
461.18781	3.0
462.20493	2.0
463.21344	1.1
470.21063	1.3
471.22235	1.2
472.22565	8.7
473.23380	2.4
474.20236	1.0
475.21072	5.3
476.21628	5.4
477.22455	3.3
478.23434	1.1
484.18640	0.7
485.23438	16.5
486.20221	2.2
486.24152	3.2
487.20859	0.9
487.25601	1.1
488.22186	2.0
489.22781	3.1
493.26288	0.7
498.20291	0.7
499.21317	4.6
500.22009	2.3
502.23679	1.6
503.24353	8.7
504.26093	1.2
508.28198	0.8
513.22614	3.9
514.23718	2.4
515.24597	1.0
517.26178	8.9
521.25464	0.9
529.25781	1.7
531.24109	1.7
535.27295	6.1
536.26843	0.9
545.25458	97.9
546.26068	3.4
562.25500	1.0
563.26300	1.6
564.27148	1.9
573.24945	23.2
591.26331	1.7
605.27539	100.0
606.28009	2.7
623.28589	93.7
624.29010	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	1.9
79.05505	1.5
81.03420	1.4
81.07050	1.5
91.05474	1.1
93.07057	0.8
95.08584	0.9
98.21523	1.5
105.07017	1.1
107.08562	0.6
109.10158	0.9
119.08583	1.1
121.10130	0.9
122.30331	0.6
159.11583	0.8
223.12494	0.7
229.72897	0.8
235.12192	0.9
260.28531	0.7
300.78104	0.6
326.16632	0.9
361.14297	1.1
363.16290	0.9
364.17798	0.7
374.16833	0.7
375.16888	0.8
377.17731	2.4
378.18573	1.2
386.15607	0.8
387.16019	1.4
389.18188	0.9
390.18710	0.6
391.19498	3.1
392.20050	1.5
393.20761	2.6
395.22604	0.6
399.16202	1.7
400.17007	2.3
401.17944	4.6
402.18839	1.0
403.19366	1.2
405.20721	2.2
406.21503	1.1
407.22409	3.8
408.23318	0.8
411.16779	0.9
413.17542	2.5
414.18436	2.6
415.19391	5.6
416.20343	0.7
417.16483	0.8
417.21033	1.9
418.18222	0.9
419.18204	1.7
419.23126	1.0
421.20062	1.4
427.19174	2.1
428.20572	3.0
429.16318	1.5
429.20743	4.1
430.21484	2.3
431.18423	1.7
432.19485	1.2
433.15979	1.5
433.20901	1.1
434.20944	1.1
435.22009	2.6
441.16953	1.0
443.18008	2.1
443.22543	3.3
444.19373	3.7
445.19980	1.3
447.17316	4.1
448.18549	1.7
449.19272	1.0
455.18738	0.8
456.20059	0.8
457.20425	2.5
458.21539	3.1
459.18256	2.5
460.18683	0.9
461.19604	4.0
462.20511	1.7
463.20850	1.2
465.22809	0.7
470.17081	0.7
471.22305	8.0
472.17972	1.2
472.23828	0.9
473.19788	3.2
474.20563	2.8
475.21429	3.3
477.18677	1.0
484.18964	1.5
485.19788	2.6
486.20728	3.0
487.20892	1.0
489.23770	6.5
490.19495	4.7
491.20679	2.6
493.21854	0.9
499.21344	17.6
500.17880	1.6
501.23325	6.9
502.19489	1.1
503.20920	5.5
504.17865	0.7
507.23642	1.0
511.21329	0.8
513.19244	1.2
514.19861	2.2
517.22388	10.8
518.20764	0.9
527.20502	3.6
529.22308	11.2
531.19928	1.3
535.23163	1.9
536.24878	0.7
545.21796	54.4
555.20221	2.5
563.22723	0.9
564.23346	1.4
573.21332	16.8
577.23871	0.8
595.25250	1.3
605.23889	100.0
606.24451	1.2
623.24951	81.2
623.40497	2.4
624.25385	1.2
629.73816	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.5
65.23670	0.4
66.48608	0.4
67.05518	0.8
69.36893	0.5
70.79163	1.0
76.49163	0.4
79.05473	0.5
81.07037	0.8
91.05453	0.5
93.07052	0.8
117.07017	0.5
153.31390	0.4
159.08072	0.5
163.20445	0.5
183.73523	0.4
334.04813	0.6
355.96793	0.6
411.64078	0.6
518.73212	0.6
576.92035	0.5
621.39630	100.0
622.39606	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69493	0.3
67.05508	0.5
68.83803	0.3
71.60123	0.4
119.04547	0.3
119.08373	0.3
129.98534	0.3
325.59351	0.4
532.31744	0.4
550.61047	0.5
561.24591	1.0
621.41809	100.0
622.42175	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	622.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91884	1.2
53.03925	2.8
55.01851	2.0
55.05508	37.3
56.96555	2.6
57.03430	3.5
57.07061	5.5
67.05492	15.8
69.03432	8.4
69.07069	23.6
70.06586	4.0
71.04988	1.6
71.60178	2.7
73.02900	1.5
73.06549	2.8
79.05494	12.5
81.03390	5.9
81.06575	2.8
81.07050	52.5
83.04975	3.8
83.08566	7.2
85.02892	11.2
85.06535	3.0
86.09697	2.5
91.05478	8.1
93.07031	15.9
95.04942	6.3
95.08598	37.3
97.02876	5.4
97.06508	6.1
97.10163	66.9
98.97581	1.9
99.04474	2.6
103.05363	1.4
105.01852	7.0
105.07012	15.2
107.08588	17.5
109.02863	3.2
109.06497	5.1
109.10146	22.0
111.04480	1.6
111.08098	2.0
113.09657	1.9
117.06982	1.7
119.08575	13.9
121.06464	3.6
121.10127	11.5
123.08067	4.9
123.11688	31.4
125.05969	1.6
125.09618	14.2
126.32638	1.4
127.03923	7.7
131.08556	3.6
133.10133	9.5
134.99675	1.6
135.08029	2.8
135.11639	7.7
137.09589	3.6
137.13206	3.4
139.11168	3.0
141.09091	4.0
143.10657	21.1
145.10107	6.2
147.11674	6.4
149.01279	1.3
149.09575	2.3
149.13245	6.2
151.07463	7.6
151.11127	1.8
151.14824	6.7
153.09085	2.2
153.12776	2.3
157.12271	1.6
159.11685	8.5
161.13313	9.9
163.11153	3.8
163.14771	3.3
165.12703	4.0
167.06990	2.1
167.14247	5.0
169.08607	1.9
171.10124	3.0
171.11592	1.7
172.11494	1.6
173.13191	4.6
177.12698	6.3
179.14325	9.3
187.09590	2.6
187.14783	4.0
189.11197	5.8
195.13768	3.1
201.16391	2.3
203.17966	2.0
205.15880	2.9
219.17278	1.6
233.15329	6.0
247.17000	1.7
249.06238	1.6
251.16481	7.7
267.20923	1.7
269.10522	4.5
269.17477	3.3
275.23584	2.4
277.70462	1.4
285.22186	1.7
287.11752	3.7
293.24814	1.8
303.23166	19.8
321.24210	100.0
322.24463	2.0
325.13141	3.0
339.25137	6.6
356.28024	3.0
411.25012	2.5
429.26205	4.0
533.27411	2.5
551.28699	2.0
622.22614	1.9
622.60193	1.7
623.24353	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	621.2706
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
57.65550	0.5
66.29517	0.5
67.05494	1.5
69.23344	0.4
71.60580	0.7
79.05490	1.0
80.35912	0.5
81.07065	1.4
89.09501	0.5
91.05475	1.0
93.07030	1.0
95.08582	0.9
107.08607	0.7
313.27313	0.7
352.14166	0.5
375.16168	0.6
388.16733	1.1
389.17526	2.4
390.18637	1.3
401.17816	0.9
402.18765	1.1
403.19409	5.1
404.20007	2.1
405.20670	2.8
415.19846	0.8
416.16153	1.2
417.16156	4.0
417.21091	2.4
418.21906	1.0
419.17502	0.9
419.22397	9.1
429.16632	0.8
430.17581	0.9
431.18243	7.9
431.24124	0.7
432.18811	3.5
433.20004	3.2
445.20090	7.1
446.20932	8.2
447.21814	11.7
448.22620	1.1
458.21326	0.8
459.21765	3.4
461.19632	2.0
473.23804	1.8
474.20432	9.7
475.21252	11.0
478.23792	0.6
486.20999	0.6
487.21143	5.5
488.21942	1.3
490.23746	0.8
491.20911	2.1
501.22916	2.9
505.26178	1.7
517.23120	0.7
518.23114	0.8
519.20319	0.8
529.22791	0.9
533.25482	22.1
534.25580	0.8
546.22845	0.9
561.24969	32.4
562.25555	0.8
589.24500	1.2
593.27356	5.5
621.27063	100.0
622.27313	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	621.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.4
55.05516	20.5
55.87747	3.5
57.03444	5.0
57.07069	12.7
58.97296	3.3
65.03957	4.4
67.05504	33.1
69.03420	13.2
69.07062	28.9
70.06583	13.8
70.32314	11.1
70.32693	7.8
71.04974	4.8
74.69754	3.5
79.05491	31.8
81.03407	18.7
81.07050	100.0
82.07431	3.5
82.79118	3.5
83.04983	10.0
83.08607	16.0
84.08136	5.3
85.02905	19.0
85.06534	32.3
86.09711	7.3
87.00851	4.8
91.05454	23.6
93.07056	45.9
95.04981	8.9
95.08602	80.8
97.02881	4.4
97.06493	4.5
97.10149	11.9
98.97547	4.4
99.04456	5.2
99.08096	4.9
100.27216	3.6
103.05464	8.6
105.07023	23.2
107.04971	8.7
107.08601	36.5
109.02837	5.5
109.06528	9.4
109.10153	44.7
111.08134	3.8
111.11683	6.6
115.70951	3.5
116.98638	5.3
119.08592	26.2
121.06491	6.1
121.10160	32.4
123.08057	7.0
123.11702	32.2
127.03898	6.1
127.07579	6.9
129.06949	3.7
129.10240	5.3
131.04916	21.7
131.08554	12.1
133.06439	5.7
133.10126	17.0
135.04366	4.9
135.11694	30.3
136.07478	4.3
137.05992	5.9
137.09627	4.1
137.13231	16.9
145.10086	11.0
147.04330	5.8
147.11667	20.2
149.13229	22.4
151.11182	5.9
157.10068	5.2
159.11722	8.5
161.02342	5.1
161.05960	3.8
161.13274	5.4
163.03827	18.8
163.07532	9.6
163.14848	11.1
165.12846	5.2
167.10715	5.0
173.02304	9.4
173.13307	5.3
175.14809	5.7
177.12784	5.6
177.16402	4.5
181.12175	8.1
185.05811	7.3
187.03944	6.9
191.14299	4.8
191.17943	4.6
193.12251	5.3
195.13802	8.1
201.16325	4.9
204.27310	4.3
205.19496	6.8
209.04385	7.0
213.05518	10.1
225.05505	5.2
263.20004	4.6
267.13763	7.4
301.25449	11.0
319.22958	5.1
319.26297	79.8
320.23007	6.1
337.14191	9.6
337.27319	82.6
337.31082	6.4
355.15454	25.8
355.28409	49.3
429.19049	16.3
621.23706	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	621.2704
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
69.28003	1.6
69.28428	0.9
207.09196	0.3
209.10789	0.3
235.12430	0.3
249.10371	0.3
269.15591	0.2
296.11813	0.2
304.41397	0.2
324.14893	0.4
362.16452	0.4
373.14682	0.3
374.15695	0.4
375.16193	0.8
383.37653	0.3
387.16196	0.8
388.16940	0.8
389.17636	2.4
390.18307	1.3
391.19128	0.8
401.17725	0.9
402.14191	0.5
402.18573	1.0
403.15347	0.8
403.19601	3.8
404.20142	2.1
405.20834	2.4
413.17380	0.3
415.15237	0.5
415.19733	0.4
416.16232	1.0
416.20450	0.7
417.16141	3.8
417.21136	2.2
418.17371	0.6
418.21622	1.0
419.22366	6.6
420.23239	0.7
429.16531	0.3
429.21469	0.5
430.16885	1.1
430.22531	0.4
431.18045	5.5
431.23602	0.7
432.19089	2.4
433.20181	2.8
443.18774	0.5
444.19308	0.4
445.20044	5.8
446.20947	7.0
447.21762	9.8
448.22620	0.6
458.20935	0.7
459.22830	2.4
460.18124	0.5
460.23401	0.4
461.19302	1.5
463.21393	0.6
473.19699	1.4
473.24167	0.9
474.20334	6.4
475.21237	8.4
476.22046	0.4
477.22937	0.8
478.23822	0.5
487.21408	3.5
488.22061	1.0
490.24243	0.4
491.20251	1.6
492.24942	0.4
501.22919	2.2
502.23056	0.3
503.20178	0.4
505.26669	1.9
506.23572	0.4
518.23218	0.8
519.20209	0.7
525.84381	0.3
529.22150	0.7
533.25543	15.9
534.25671	0.4
546.22327	0.4
561.24976	23.5
562.25244	0.5
565.28217	0.4
589.24420	1.2
593.27692	3.7
603.25342	0.3
621.27051	100.0
622.27319	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	619.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38330	3.5
56.96553	16.6
58.53273	3.4
63.14630	3.7
69.03457	3.6
69.07050	13.4
70.00034	15.8
70.00458	5.8
70.06578	16.4
72.04513	4.4
72.08122	8.2
73.90839	3.9
74.02434	14.3
82.02937	6.6
84.08136	13.3
85.08919	6.7
86.09702	100.0
86.10236	6.4
95.45303	3.4
96.08125	3.9
98.97600	19.2
99.05573	5.6
116.98591	25.9
118.05006	7.4
122.09650	8.8
124.07597	5.0
128.98662	4.0
133.08627	3.6
134.99710	6.7
142.46161	3.4
144.83835	3.4
145.01736	3.9
146.04488	7.3
147.03246	4.8
147.04364	3.6
150.09102	8.7
157.01694	5.0
167.11784	23.9
175.06403	6.9
213.12395	20.5
214.10802	27.1
219.01793	4.6
227.09462	25.2
229.07458	10.0
231.13380	74.3
245.10565	46.2
251.09538	4.6
269.10620	67.2
287.11627	42.6
347.36374	4.5
353.48563	3.8
389.10101	6.8
389.14816	87.5
407.09781	3.6
407.15561	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	621.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08251	1.0
59.42903	0.9
71.56023	1.4
96.83049	0.9
182.83467	0.9
209.10773	1.0
268.10037	0.9
268.21997	0.8
283.62396	0.9
375.16162	1.7
388.16800	1.5
389.17560	5.1
390.18604	1.7
401.17664	1.4
402.18555	2.7
403.19492	7.0
404.19910	5.2
405.20685	2.9
416.15790	1.5
416.20541	1.4
417.17020	4.8
417.21979	4.3
418.21542	2.6
419.22559	11.7
430.17621	2.7
431.17999	10.0
432.19363	3.3
433.20248	1.9
443.18753	1.0
444.19632	1.6
445.20224	10.5
446.20804	7.0
447.21732	13.8
459.21973	3.5
473.19040	1.3
473.23981	1.1
474.20316	16.6
475.21298	19.0
487.21454	6.2
488.21884	1.7
489.22989	1.4
491.20575	1.2
501.22968	3.7
505.26096	2.5
517.22144	1.2
518.23169	1.1
533.25519	13.3
546.22131	1.0
561.24927	93.0
562.25305	5.7
589.24524	3.0
593.27429	4.4
594.95459	0.9
621.27039	100.0
622.27130	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	617.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.9
55.01864	2.3
55.05509	19.2
56.23719	1.5
57.03394	2.6
57.07077	2.8
66.46860	1.8
67.05501	20.8
69.03419	12.1
69.07063	32.3
70.06582	4.5
71.04993	5.4
71.59263	2.1
74.39160	2.0
79.05484	16.6
81.03410	40.7
81.07053	82.0
83.04977	8.9
83.08604	6.6
85.02878	7.7
85.06531	7.1
86.09715	2.6
87.00828	2.8
91.05477	15.0
93.07037	46.9
94.95306	2.0
95.04974	7.0
95.08601	50.4
95.16064	1.9
97.02877	3.9
97.06525	9.4
97.10156	15.0
99.04467	10.5
101.05994	3.6
105.07028	36.8
107.05000	2.8
107.08591	46.0
109.02868	22.0
109.06521	11.9
109.10147	35.3
111.08086	5.0
111.11708	4.6
117.07021	3.3
119.08569	26.2
121.06528	4.5
121.10140	34.3
123.08053	13.8
123.11698	39.5
125.09609	10.7
127.03905	14.1
127.07554	10.7
131.08588	10.0
133.06519	2.5
133.10121	28.1
135.08051	4.1
135.11685	32.1
137.09618	5.8
137.13269	4.9
139.11151	5.3
141.12717	2.1
143.08557	7.0
145.10117	15.0
147.11682	51.2
149.09616	8.4
149.13242	21.9
151.07487	1.8
151.11182	43.7
151.14787	2.2
153.09097	2.8
153.12729	7.0
155.10655	1.9
157.10141	6.4
159.11661	16.5
161.09616	4.0
161.13278	9.7
163.07603	1.7
163.11160	7.6
163.14838	5.7
165.09264	2.1
165.12749	19.0
167.10689	2.5
169.12254	2.2
171.11655	5.4
173.13235	6.9
175.11168	9.3
175.14743	5.2
177.12682	9.2
177.16385	2.6
179.10686	9.5
179.14362	2.8
181.12192	6.5
184.43375	1.9
185.13226	3.4
187.13249	5.9
187.14796	3.1
189.12711	7.8
191.14255	4.3
191.17969	2.6
193.12195	20.0
195.13702	8.8
199.14803	5.3
201.16400	7.8
207.13765	10.0
209.15231	2.4
213.03949	5.4
213.16423	2.2
215.14438	2.6
217.15877	7.2
219.17429	4.9
221.15385	2.8
229.14308	4.2
231.04860	2.7
235.16986	9.1
269.22574	5.4
279.21011	3.1
285.79730	1.9
287.23618	9.0
297.22101	12.5
305.24744	34.7
315.23160	50.1
323.25797	37.0
333.24203	100.0
351.25250	13.0
399.16135	2.6
402.95862	2.0
477.28992	2.5
545.27197	2.6
563.28467	9.6
581.29657	19.9
599.30902	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.2
57.07072	27.0
59.04984	0.5
61.74175	0.4
61.78004	0.3
67.05473	0.5
69.07066	1.6
69.83776	0.9
69.84188	1.3
71.08627	26.0
73.02904	0.4
73.06551	9.0
76.77346	0.4
79.05481	0.7
81.07059	0.7
83.08614	3.9
85.10175	25.2
87.04461	7.9
89.06024	100.0
90.06346	0.4
91.05428	0.4
91.07581	1.2
93.07039	1.1
95.04969	0.5
95.08594	0.5
97.10162	0.8
99.11730	3.3
105.07018	0.8
105.84079	0.4
106.07350	0.5
107.06381	0.6
107.07064	6.5
109.10153	0.4
117.09127	6.9
117.09904	0.7
119.08615	0.8
121.10146	0.9
123.08083	0.6
130.08618	3.1
131.07010	2.3
133.08594	49.2
134.08897	0.6
135.10181	1.1
141.16380	5.3
148.08322	0.4
151.07576	0.6
161.11743	1.6
167.10657	1.5
169.10100	0.4
175.09651	1.5
177.11203	18.8
185.18993	6.0
221.13742	3.7
221.15541	0.5
223.15317	0.5
226.21661	1.5
229.21593	9.8
239.14885	1.5
239.21544	0.3
273.24222	4.9
283.17429	1.2
309.19128	0.7
327.20203	0.8
371.22717	0.8
415.25266	1.0
459.28137	2.0
599.43481	3.6
616.46655	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11340	0.4
50.74575	0.5
53.03935	1.5
55.05513	4.3
57.03447	2.7
57.07075	9.1
59.05017	0.5
60.94461	0.5
62.06101	0.5
62.99537	0.5
63.30320	0.4
65.03919	0.7
65.74782	0.5
67.05169	0.8
67.05505	11.4
69.03411	0.9
69.07075	5.3
69.38917	5.0
71.04985	0.7
71.08631	5.9
76.97488	0.5
79.05492	23.2
81.03385	0.7
81.07058	15.0
82.07379	0.7
83.04964	0.7
83.08632	2.4
84.84753	0.5
85.06511	0.6
85.10191	3.9
89.06023	2.7
91.05480	12.4
92.05820	0.6
93.07044	23.0
95.04977	8.1
95.08607	5.1
97.10147	0.9
98.20773	1.1
103.05466	0.8
104.10728	1.2
105.07033	7.8
107.04960	8.8
107.08589	12.6
108.08911	0.5
109.06521	10.0
109.10154	2.6
111.11643	0.5
115.05452	1.1
117.07033	7.6
119.08587	6.4
121.06492	10.4
121.10153	3.3
123.11715	1.0
124.11257	1.2
130.07773	2.5
131.08578	1.1
133.08617	1.5
133.10150	3.2
134.08890	0.6
135.08054	1.2
135.11693	13.6
142.12285	0.7
143.08557	1.6
145.10124	20.6
145.11279	1.1
147.11760	0.6
163.11185	10.6
173.13232	0.6
188.14319	0.7
206.15399	100.0
224.16431	6.5
244.14214	0.5
261.22122	0.9
286.12073	0.8
287.96381	0.5
304.13052	2.8
313.27353	50.0
314.27716	0.8
378.16727	1.5
534.35693	1.1
545.97437	0.5
598.38947	5.5
598.48083	1.1
616.39581	7.1
616.49817	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	616.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01865	2.5
60.04523	1.1
65.03933	2.3
66.16599	0.6
67.05496	1.7
69.03412	1.2
70.06588	4.3
71.04977	1.3
71.51113	1.5
72.08144	2.0
75.04472	3.9
78.04691	2.7
78.05109	0.9
79.05472	3.0
81.03407	1.7
84.04481	1.0
84.08129	1.9
85.02908	7.2
86.09691	2.1
86.97297	0.7
89.03918	0.9
89.06045	0.8
91.05481	10.3
93.03407	12.0
93.07043	6.1
95.04969	5.4
96.05727	0.8
96.27375	0.7
97.02892	1.4
97.06527	3.0
103.05465	7.7
105.07038	11.9
105.07691	1.4
106.04175	26.0
107.04929	3.1
109.02895	0.9
109.06491	0.9
115.05441	2.6
117.03367	0.9
118.04145	1.1
119.04907	1.5
121.02874	3.0
121.06513	28.4
123.04359	1.6
124.05186	1.5
125.05988	7.6
127.03941	0.9
129.10187	1.7
131.04944	4.3
131.05789	0.8
132.05682	0.9
133.06490	10.5
134.03621	4.2
134.30307	0.6
135.04384	1.5
135.08066	1.2
136.07536	0.7
137.05942	4.6
138.06764	1.1
139.07539	2.4
143.06036	0.9
145.02826	1.7
148.05208	4.1
149.05983	49.8
151.03891	0.9
151.07545	2.4
152.08322	0.7
153.05461	1.7
153.09085	11.6
161.05971	22.1
163.03923	1.7
163.07529	3.0
165.05379	1.0
165.98972	0.7
166.06265	1.1
167.07043	2.6
177.05479	21.7
181.08600	19.0
181.10188	1.3
189.05334	0.6
189.61150	0.7
191.07008	20.8
193.06842	1.3
193.08598	23.3
193.10287	1.5
198.49586	0.6
207.13913	0.8
209.08090	100.0
291.06024	0.7
291.93729	0.7
330.10995	0.7
369.13388	1.0
387.14346	2.7
398.98880	0.7
563.10077	0.8
616.23779	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82040	1.6
53.03929	2.6
55.01866	2.8
55.05508	2.3
56.05031	1.9
57.03437	2.0
58.96820	1.5
60.04517	3.4
61.02917	2.3
65.03951	1.7
69.03420	6.9
70.02496	8.7
70.06593	11.9
71.04987	2.0
72.08145	4.8
73.02898	2.4
73.31919	1.4
74.06064	1.4
76.57475	1.5
78.04679	2.3
79.05492	8.7
81.03413	13.7
83.04974	2.5
84.04485	5.1
84.08130	7.7
85.02502	1.8
85.02910	22.7
86.09705	7.0
91.05468	7.7
95.04962	4.5
97.02875	11.3
99.04446	2.5
103.05467	2.4
105.07039	3.9
107.04954	19.1
109.02860	2.9
109.06606	1.8
110.07123	2.9
115.05448	6.0
116.06252	2.4
117.07011	7.6
119.04951	2.3
121.06452	2.6
122.12476	1.7
123.04423	7.1
124.05170	4.8
125.05946	3.2
127.03906	7.0
128.06198	3.3
129.07019	4.0
129.10222	2.5
131.04869	1.9
131.08560	9.3
133.02899	2.8
133.06398	3.2
136.07591	2.4
137.05881	1.9
137.61404	1.6
141.06972	3.4
144.05708	4.4
145.04919	3.9
145.06480	18.5
147.04407	3.1
149.05920	1.8
152.04593	2.4
153.12860	1.6
155.07079	2.2
156.05692	10.8
157.06499	3.9
159.08051	17.8
159.09270	2.7
161.06009	3.6
162.07608	5.1
163.03889	4.7
163.07346	2.3
167.07043	82.6
169.06366	2.3
169.07687	2.0
173.05981	27.2
175.07518	3.7
177.00633	1.8
177.05527	3.9
179.06956	1.7
180.03937	1.7
180.08676	5.8
181.04997	2.6
181.08606	2.0
184.05212	3.0
186.06735	6.3
187.07518	11.7
190.06221	13.9
191.07002	2.4
193.08559	3.0
200.08261	2.1
201.09090	4.1
202.06253	7.3
203.06961	3.5
205.08580	39.8
207.06581	3.1
208.05244	2.9
208.08725	2.9
211.07497	2.0
215.06929	3.4
217.08575	45.7
218.07259	3.5
219.08057	8.3
219.10179	7.0
220.08759	3.5
221.05894	1.7
229.08572	7.5
231.08046	7.2
231.10236	2.7
233.09694	3.6
235.07530	3.2
235.09612	8.4
236.08287	3.7
245.09662	2.7
247.07486	8.5
247.09662	19.3
248.08234	8.4
249.08919	2.2
251.10529	2.5
254.05676	2.6
261.08978	3.1
262.10071	2.8
263.08093	1.7
263.10748	7.0
264.07742	4.5
265.08398	4.1
265.10730	10.8
267.06354	2.2
269.07980	10.8
271.09637	6.5
275.07022	6.7
276.07758	8.2
277.08612	3.2
279.09988	9.4
280.11108	1.8
282.05490	1.8
282.08908	6.2
290.09351	1.9
291.10095	14.5
292.07220	4.1
293.08176	8.0
299.09140	2.2
306.10767	2.2
307.09613	10.3
308.10522	7.4
309.07672	2.9
311.12570	2.2
315.08606	34.9
319.09579	4.5
321.07480	4.1
322.12048	2.1
323.12622	10.2
324.09848	2.6
325.10931	2.2
330.10971	62.5
331.11673	7.6
336.09906	4.3
337.10684	7.5
338.07819	1.9
339.12265	8.5
343.11652	9.3
350.11444	2.7
351.12253	19.8
352.12677	4.4
353.10141	5.4
356.12335	2.7
368.12439	12.4
369.13211	9.0
371.14865	8.4
373.16476	1.9
383.14865	100.0
401.15942	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	616.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.3
55.05506	3.1
56.05024	2.3
56.96553	4.2
60.04502	2.6
61.32674	1.9
65.03927	3.0
66.50993	2.0
67.05492	3.0
67.06316	1.8
69.03414	7.0
69.07073	3.1
70.06590	29.8
70.84190	3.4
70.84499	2.3
72.08157	10.3
74.06081	2.2
74.17940	1.9
75.04464	2.0
79.05469	6.2
79.08514	1.8
81.03398	4.6
81.07034	3.4
84.04479	7.3
84.08135	11.9
85.02900	12.8
85.08447	1.9
86.09718	18.1
89.03874	2.3
89.06024	2.1
91.05476	26.8
93.03389	11.5
93.07023	8.0
95.04971	10.3
95.08614	2.8
97.02868	5.4
97.06521	11.0
98.97575	3.6
103.05440	9.0
105.07028	15.5
106.04163	26.1
107.04945	4.9
109.02864	2.9
110.07158	4.6
116.07069	3.0
116.98616	3.7
120.08102	4.3
121.06496	25.8
123.04421	3.8
125.06001	6.5
127.03922	4.4
127.30530	2.0
129.10219	7.7
131.04913	5.3
133.02794	2.0
133.06529	11.3
134.03586	5.3
134.99666	4.3
136.07574	4.5
137.05995	11.2
145.02843	3.4
149.05989	39.6
151.03868	2.7
151.07516	3.9
153.05495	2.5
153.09122	9.4
161.05977	22.5
163.03915	3.6
163.07474	5.7
167.07034	5.4
177.00768	4.0
177.05460	24.4
178.04829	2.3
181.08586	19.6
183.90617	1.9
184.07343	2.0
189.00423	2.0
191.02061	2.2
191.07028	21.4
193.04944	2.4
193.08614	24.2
206.04536	2.4
209.08084	100.0
213.12396	2.7
219.01741	2.3
226.05008	2.0
233.11699	9.2
237.02827	4.5
250.14375	8.1
263.07181	2.2
287.05707	2.2
287.71024	2.1
327.07559	8.1
369.08511	5.6
387.14105	3.0
454.17731	5.8
562.19159	2.2
616.21771	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	615.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67901	2.7
54.13335	2.4
55.05509	16.0
56.60146	2.5
57.07069	3.6
67.05500	30.8
69.07065	18.2
69.47166	18.5
79.05486	17.5
81.07059	35.3
83.08598	9.0
91.05463	15.6
91.67907	2.5
93.07039	24.6
95.04989	3.5
95.08595	34.5
97.10169	5.5
105.07003	15.4
107.08609	16.9
109.10142	17.1
114.13019	2.8
117.07020	3.6
119.08577	16.3
121.10166	14.5
123.11692	4.0
131.08553	10.4
133.10098	12.5
135.11711	12.3
145.10133	6.2
147.11674	8.0
149.13309	5.4
159.11670	3.8
161.13269	7.4
163.14836	4.6
173.13269	3.5
201.16356	2.6
241.19621	3.1
259.20728	5.2
259.63205	2.7
261.22162	12.5
333.24231	3.8
335.25861	11.2
337.27371	11.0
339.29077	3.7
523.45190	6.8
597.48645	12.5
615.49738	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05248	1.0
53.79055	0.8
55.05502	2.1
57.07070	53.5
67.05481	1.2
69.07056	9.4
70.31546	0.9
70.72960	1.4
70.73295	1.7
71.08626	48.9
73.06549	6.1
83.08606	3.5
85.10172	30.5
87.04465	7.3
89.06024	100.0
90.14268	1.1
90.53579	0.9
95.08583	1.1
97.10173	2.6
99.11713	7.5
107.07072	4.1
111.11682	4.7
113.13277	7.7
117.09103	4.6
125.13247	3.1
127.14837	4.0
130.08673	1.9
131.07043	2.7
133.08592	63.9
135.10101	1.6
150.13699	0.9
161.11732	2.3
175.09605	1.6
177.09665	1.3
177.11197	26.1
179.12798	1.4
183.21078	1.8
195.12155	1.0
221.13782	5.6
227.23674	1.3
239.14973	1.9
271.26303	2.4
283.17508	1.8
309.18930	1.0
315.28943	3.9
327.20041	2.0
353.21442	1.3
371.22583	1.1
415.25470	6.0
446.68066	1.1
454.29361	1.1
597.45923	8.0
614.48224	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	614.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.2
55.59048	1.5
57.07076	36.6
67.05515	1.7
69.07058	5.0
71.08631	31.1
73.06563	9.7
81.07071	2.3
83.08621	3.1
85.10181	19.2
85.65580	1.1
87.04468	5.3
89.06032	100.0
93.07057	1.6
97.10162	4.0
99.11708	4.7
105.07005	1.9
107.07077	5.6
110.48090	1.2
111.11707	2.4
113.13261	3.7
117.09108	6.4
127.14850	1.6
130.08638	4.1
133.08603	50.9
161.11761	2.5
177.11221	22.8
183.21120	4.2
183.58249	1.3
221.13828	3.4
227.23636	2.5
229.63115	1.1
239.14856	2.7
260.59665	1.3
271.26361	8.0
315.28973	4.1
371.22589	1.5
415.25262	3.5
597.45544	5.2
614.48486	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4825
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.00295	0.6
53.03941	1.1
55.01857	1.4
55.05508	16.2
55.05774	0.8
57.03435	6.4
57.07073	3.9
57.96236	0.6
65.03928	2.2
67.05501	49.1
69.07063	17.4
70.28962	0.6
71.04984	1.7
71.08631	1.5
73.06558	0.7
79.05490	27.6
81.07053	58.4
83.04977	1.5
83.08615	9.3
85.06548	2.0
85.10221	0.6
90.06731	0.6
91.04887	0.8
91.05473	22.1
93.07039	38.3
95.04958	4.3
95.08601	52.0
97.06534	2.1
97.10168	6.4
99.08099	1.1
103.05494	0.7
105.04478	0.9
105.07026	23.4
107.08587	23.8
109.06478	0.9
109.10147	25.1
111.08060	1.2
111.11703	0.9
115.05415	0.8
117.07008	9.1
119.08569	24.6
121.10140	22.2
123.08072	1.3
123.11695	10.0
124.05209	0.6
125.09657	0.9
128.06207	0.9
129.06998	4.8
131.07582	1.0
131.08566	19.0
131.82025	0.6
133.10117	21.8
133.70892	0.6
135.11678	14.4
137.09621	1.3
137.13213	3.8
137.26405	0.6
139.11142	0.8
141.06976	0.8
142.07835	0.7
143.08554	5.9
145.10112	19.7
147.11679	16.4
149.09598	0.9
149.13255	10.3
151.14821	1.8
155.08566	2.0
157.10106	6.5
159.11690	15.0
161.13258	12.4
163.14839	4.5
169.10138	2.3
171.11713	7.1
173.13246	13.7
175.14842	5.7
177.16394	1.8
181.10091	0.9
183.11697	2.8
185.13197	6.0
187.14783	7.8
189.16316	3.1
195.11716	1.1
197.13303	1.7
197.49388	0.8
199.14838	4.0
201.16412	2.9
203.17999	2.6
205.15738	0.9
205.19464	0.8
211.14815	1.9
213.16441	2.6
215.17924	2.3
217.19478	1.6
223.14880	0.7
223.16866	1.0
227.18004	1.3
229.19490	1.1
231.21054	1.4
239.17957	0.8
241.19650	4.3
243.21150	3.2
245.19032	0.9
247.20503	1.3
255.19656	0.8
257.19019	1.1
259.20587	9.4
261.22086	12.1
263.20255	0.7
263.23764	1.8
273.22165	1.6
275.20062	0.9
275.23779	1.2
279.23303	0.9
281.21011	0.9
285.22238	1.8
287.23636	1.3
289.25302	1.0
295.22702	1.0
299.23755	2.1
309.24173	0.8
313.25308	1.6
315.23257	1.2
315.26895	1.1
317.24814	2.8
321.24521	0.8
327.23370	0.7
327.26987	2.1
333.24164	4.6
335.25751	15.6
337.27338	10.4
341.28467	1.5
345.23996	0.7
347.25766	0.9
353.27747	0.8
355.29901	1.2
415.32925	0.8
449.32346	0.7
475.34521	1.0
479.38144	0.7
489.35660	1.1
491.37704	1.1
503.37085	1.7
503.43155	0.9
517.38922	1.4
521.43628	5.9
529.38885	1.5
531.40253	2.0
539.44635	3.2
543.40497	2.2
595.47113	12.7
613.48218	100.0
614.48438	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4824
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
50.01603	0.8
53.03937	2.5
53.51171	0.9
55.05509	13.3
57.03437	4.8
57.07061	2.6
60.33434	0.8
65.03926	0.9
67.05505	42.7
69.07069	13.8
71.04979	1.8
71.08655	1.2
71.42707	0.8
77.03918	1.1
79.05492	22.7
81.07056	45.0
81.71730	0.8
83.04951	1.0
83.08617	8.5
85.06499	1.2
91.05482	19.6
93.07046	32.4
95.04986	3.0
95.08606	35.8
97.06539	2.4
97.10165	5.3
105.07027	19.5
107.08588	18.6
109.10154	19.8
111.08123	1.2
111.11741	1.5
116.06259	1.0
117.07020	7.6
119.08575	22.7
121.10146	15.8
123.08173	1.0
123.11719	7.1
125.54700	0.9
129.07014	4.1
131.08568	15.3
133.10123	14.4
135.11681	11.4
137.13251	1.8
139.11131	1.5
143.08568	5.9
145.10126	15.6
147.11694	12.8
149.09708	1.2
149.13248	7.8
151.14867	1.4
155.08557	1.7
157.10143	5.6
159.11682	10.9
161.13268	9.0
163.14845	3.8
165.16318	1.2
167.73608	0.9
169.10101	1.8
171.11716	6.0
173.13280	8.9
175.14857	4.7
177.16394	1.9
181.10107	1.0
183.11711	1.8
184.93896	0.9
185.13261	3.4
187.14847	3.7
189.16415	2.2
191.18022	1.4
199.14821	2.9
201.16388	3.7
203.17961	1.3
211.14778	1.4
213.16490	1.6
215.18010	1.9
217.19406	1.1
229.19498	1.4
231.21153	1.8
241.19627	2.6
243.21066	1.9
259.20566	5.6
261.22174	9.4
263.23795	1.7
273.22195	1.2
301.24921	1.2
313.25177	1.4
315.23190	1.1
315.26828	1.5
317.24811	1.7
317.28519	1.0
333.24149	6.1
335.25821	14.8
337.27304	5.8
353.28058	0.9
394.38690	0.9
409.34836	1.1
489.35818	1.1
503.37137	2.5
517.38727	1.5
521.43494	5.5
523.18457	1.1
530.22345	1.0
539.44531	3.6
543.40417	2.0
544.19128	0.9
595.46973	10.9
613.48248	100.0
614.48535	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	613.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43875	1.0
55.05500	8.2
57.03439	4.7
57.07086	1.7
61.02927	4.0
64.04482	1.1
67.05500	14.6
68.40992	1.1
69.03434	1.5
69.07056	6.1
70.06586	3.4
71.04989	5.8
71.36974	1.9
73.02927	1.7
77.61372	1.3
79.05499	7.2
81.03407	3.0
81.07050	26.0
81.07517	1.7
81.24672	1.3
83.04967	2.1
83.08633	5.9
84.04487	1.2
85.02898	6.1
85.06542	4.4
86.09716	2.2
91.03944	3.7
91.05474	9.9
93.07041	7.9
95.08602	31.1
97.02907	3.0
97.06521	8.0
97.10178	3.0
99.04461	1.6
99.08096	3.2
105.07018	10.2
107.08622	2.7
109.06518	1.4
109.10175	3.2
119.04925	1.1
119.08562	9.8
120.08128	1.4
121.10143	3.0
123.08067	2.2
127.03919	2.5
133.10133	7.1
135.11710	3.5
137.05949	2.6
137.13231	3.5
145.04987	2.1
147.04391	1.2
161.13235	19.8
163.03897	1.5
163.06068	1.5
167.07083	3.4
179.14337	16.8
181.04997	1.5
193.05035	1.7
197.15396	2.0
207.06537	1.8
217.46465	1.2
221.04659	1.2
253.18051	5.0
271.19022	100.0
272.19229	1.1
277.33691	1.3
305.10193	1.4
397.22382	1.4
404.74670	1.3
415.23364	2.5
433.24353	8.8
563.70880	1.2
605.10010	1.3
613.23016	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60133	0.7
55.05499	2.9
57.07073	38.1
58.34491	0.6
59.05005	1.0
67.05511	0.9
67.37514	0.8
69.07052	2.5
69.30179	1.5
69.30578	5.9
71.04979	0.6
71.08628	24.8
73.02892	0.7
73.06164	0.7
73.06550	10.2
76.54331	0.6
79.05492	1.5
81.07036	1.3
83.08612	2.3
85.10179	21.7
87.04453	8.7
88.49361	0.6
89.06026	100.0
91.05488	1.0
91.07582	1.0
93.07053	1.1
95.08597	1.5
97.10129	3.1
99.11728	4.9
105.07044	0.8
107.07060	6.6
107.08600	0.7
111.11732	1.1
113.13290	1.3
117.09121	6.7
119.08603	1.2
121.10141	0.8
130.08656	3.7
131.07053	2.3
131.08545	0.6
133.08597	41.7
135.10130	1.1
145.10130	0.8
155.17918	4.5
161.11758	1.2
175.09697	0.9
177.11212	12.4
199.20564	1.7
207.70502	0.6
221.13765	0.8
243.23245	2.6
404.00674	0.6
440.32959	0.8
613.35950	0.9
637.38031	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46503	1.1
56.96563	35.9
71.60117	1.8
71.60490	1.2
71.95257	2.5
72.96018	1.2
74.97607	1.6
75.14589	1.1
84.96025	5.8
91.05481	1.5
95.73936	1.3
98.91937	1.3
98.97577	48.5
103.99424	1.3
112.99112	8.1
116.98612	45.6
116.99441	2.4
121.10186	2.4
128.98586	5.3
131.00163	31.7
131.08556	1.2
134.99658	36.4
140.00201	4.9
140.98628	1.7
143.00177	7.6
144.97945	1.2
146.60777	1.2
146.99652	10.2
149.01216	60.6
149.02429	3.0
153.00710	4.9
153.09114	1.2
154.01788	2.0
158.01233	4.4
158.99648	22.7
161.01208	15.7
162.99191	1.4
165.00795	2.0
167.02275	14.1
170.99673	3.7
172.02843	6.3
173.01207	5.2
175.02744	2.6
177.00700	55.6
179.02254	3.6
184.02806	2.0
185.01205	3.0
189.00688	6.3
191.02255	10.8
195.01756	8.7
199.02748	13.1
200.02299	10.3
201.00728	1.1
203.02296	5.8
209.01279	2.5
212.02449	1.7
214.03767	1.7
215.02243	4.1
217.03853	8.7
219.01744	10.7
223.87372	1.3
227.02306	4.1
233.03276	4.0
237.02831	8.0
240.05272	1.3
255.03795	3.6
275.04358	16.3
293.05411	71.0
311.06461	14.4
316.06934	12.8
317.17853	100.0
334.07993	3.6
335.18918	56.8
335.22937	2.7
348.88751	1.3
358.20523	16.8
377.20010	8.3
391.21405	4.0
403.21619	2.3
406.99411	1.2
497.23978	5.2
553.26855	62.5
613.30194	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96291	2.6
56.96561	42.0
57.17484	1.2
67.05467	1.5
70.98170	2.3
70.98490	2.2
71.95258	3.1
74.97576	1.9
81.07042	1.7
84.96025	2.6
85.21812	1.6
93.07045	1.4
95.08596	1.5
98.97577	56.8
102.97030	1.4
105.07040	2.4
107.08558	2.3
109.06508	1.7
110.97588	2.3
112.99122	11.1
116.98604	56.5
117.07008	1.5
119.08585	1.8
121.10157	2.0
122.72882	1.2
128.98599	6.9
131.00151	36.8
134.98624	2.0
134.99651	37.5
140.00198	4.2
143.00150	5.2
143.08528	1.6
145.01677	1.6
145.10123	1.6
146.98631	1.4
146.99625	9.2
149.01207	62.2
153.00702	4.2
158.01247	3.3
158.99634	24.0
161.01207	14.5
165.00716	1.8
167.02272	15.4
170.01233	1.4
170.99670	3.8
172.02814	5.5
173.01170	6.8
175.02808	3.2
177.00700	55.5
179.02238	2.9
184.02884	1.5
185.01210	3.1
189.00710	7.5
191.02249	8.9
195.01733	8.4
199.02765	8.0
200.02295	8.0
203.02258	7.9
203.57451	1.4
209.01248	3.2
209.03346	1.4
215.02299	2.5
216.61090	1.4
217.03801	6.2
219.01685	11.1
227.02267	3.9
233.03249	3.0
237.02824	9.7
240.05338	1.3
275.04337	15.4
293.02081	3.1
293.05405	55.1
311.06485	16.9
316.06943	11.4
317.17847	100.0
334.07941	4.6
335.18915	55.2
358.20398	14.8
377.20013	11.0
391.21344	4.5
403.21201	2.2
434.85519	1.7
497.23862	4.0
506.15460	1.8
553.26855	72.1
619.60876	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	33.2
67.05512	3.4
69.07042	1.7
70.65810	2.0
70.66162	5.2
74.33823	1.7
79.05492	2.7
81.07061	4.0
84.96043	4.7
91.05489	3.1
92.98634	2.0
93.07033	4.9
95.04984	2.3
95.08575	2.9
95.82129	2.1
98.97585	44.5
99.05596	1.7
105.07011	5.4
107.68668	1.6
109.10207	2.1
110.97596	3.2
112.99109	9.8
116.98616	41.7
119.08562	4.0
121.10109	2.4
128.98601	6.1
131.00168	31.8
131.08603	2.3
133.87717	1.7
134.99655	31.7
140.00206	4.0
143.00171	7.5
145.10100	2.2
146.99664	8.9
149.00101	3.6
149.01228	51.8
153.00717	4.2
154.01860	1.9
158.01228	3.7
158.99646	22.6
161.01259	15.3
167.02271	11.5
170.99622	3.1
172.02800	5.3
173.01199	6.1
175.02722	2.1
177.00716	57.2
179.02303	3.3
189.00710	7.8
191.02290	8.2
195.01787	9.5
199.02812	9.9
200.02353	8.0
203.02187	9.1
209.01207	3.6
214.03761	1.9
215.02261	3.8
217.03818	6.4
219.01735	13.5
227.02220	4.1
233.03339	4.4
237.02808	7.4
240.05376	1.8
273.49463	1.8
275.04352	14.0
293.05423	65.4
311.06458	11.6
316.07007	8.7
317.17874	100.0
334.08209	3.3
335.18954	50.5
358.20508	16.9
377.19928	8.1
391.21408	3.5
403.21274	2.7
497.24100	5.2
553.26788	62.0
642.54663	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2129
Annotation	neohesperidin dihydrochalcone
Peak:m/z	Relative Intensity
55.01857	0.8
55.44032	0.2
55.77428	0.2
67.05481	0.5
68.99791	0.3
69.03413	0.7
69.07060	1.5
70.06600	1.8
71.04969	0.2
71.58872	0.3
72.08154	0.3
74.02448	0.2
74.65048	0.2
79.05489	1.3
81.03412	0.4
83.04967	0.2
84.04500	0.5
84.08148	1.1
85.02910	1.1
86.09687	0.8
91.05466	0.9
91.08566	0.2
94.75457	0.2
97.02865	0.5
97.06523	3.7
98.97556	0.4
109.02866	0.3
111.04461	0.3
116.98579	0.2
123.00781	0.6
127.03934	0.3
129.10217	0.5
135.04457	0.2
136.07660	0.2
137.06021	0.3
139.00229	0.5
147.04390	0.5
153.22581	0.2
161.05945	0.2
163.03867	1.1
173.02377	0.3
179.03386	22.3
180.03662	0.2
189.05486	0.7
191.03455	1.4
192.04175	0.2
193.04944	0.5
205.04942	0.5
207.02882	27.1
208.03661	7.7
208.05627	0.4
209.04437	27.9
210.04613	0.3
213.05363	0.4
215.04286	0.3
215.09604	0.3
217.04898	0.2
219.02979	0.3
221.04495	0.7
237.02757	0.5
261.07578	0.8
303.04977	0.2
305.10178	100.0
306.10522	1.7
389.14804	1.3
407.87814	0.2
441.10757	0.3
538.92505	0.3
612.27551	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2658
Annotation	Karajinone B
Peak:m/z	Relative Intensity
69.51566	6.2
69.51994	6.5
71.63783	1.5
80.90092	1.7
81.07040	2.3
93.07090	1.7
106.06556	1.6
107.08614	2.5
121.10127	1.7
123.08083	1.8
136.07544	2.9
174.09142	5.9
187.12422	4.0
188.10742	3.1
211.08679	2.2
215.11877	4.0
226.10971	3.3
227.11769	3.3
235.08759	2.1
237.10016	1.7
239.11783	2.3
240.12610	2.2
241.13370	6.0
243.11299	20.9
249.10281	2.0
251.11852	2.2
263.11905	2.0
267.11215	8.2
269.12729	6.3
271.10690	2.2
279.11414	1.9
287.14014	4.2
295.10876	5.0
301.13107	1.6
311.14212	2.0
314.12866	2.4
319.10852	1.6
319.14886	1.9
327.13608	7.3
328.10712	2.2
328.14404	3.6
330.12463	2.6
342.12433	2.6
344.14072	2.6
348.13290	3.9
356.14120	3.9
358.15475	2.2
360.17072	1.8
370.15366	2.4
372.17007	4.7
374.19073	3.1
386.14679	3.1
418.17703	3.7
445.15985	1.7
463.21021	2.1
465.19211	6.2
477.18973	2.4
478.20111	3.6
479.21027	3.8
480.21530	4.6
489.22717	3.4
490.19870	6.3
492.21558	2.3
493.22299	4.7
507.23843	4.0
530.05133	1.7
535.23364	14.8
539.22717	2.0
553.24506	73.7
554.24701	2.0
563.22906	2.7
569.27002	2.0
581.23944	56.6
582.24457	2.6
613.26495	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03701	0.8
53.03939	3.0
55.05507	16.5
57.03430	6.2
57.07070	3.3
59.04995	0.8
64.85430	0.7
65.03931	2.6
67.05499	40.8
69.03419	1.4
69.07066	16.3
69.35871	6.3
69.36289	2.6
71.04990	1.3
79.05053	1.8
79.05489	27.9
81.07050	43.7
82.07349	1.0
82.76176	1.0
83.08608	6.5
85.06544	1.9
91.04894	1.0
91.05473	29.0
93.07037	33.1
93.07619	1.9
94.07372	1.0
95.04974	4.6
95.08601	35.3
97.06552	1.7
97.10171	2.8
99.08092	0.8
103.05455	1.0
105.04514	0.9
105.07024	30.1
106.07359	0.8
107.08588	21.0
108.69056	0.9
109.06487	1.6
109.10146	14.6
111.08070	1.8
115.05402	1.3
117.07014	11.8
119.08569	25.9
121.10134	17.6
123.08067	0.9
123.11698	4.5
125.09653	0.9
128.06227	2.8
129.06998	10.2
131.08559	21.9
131.09525	1.6
133.10120	20.0
135.08040	1.4
135.11682	9.5
137.09589	1.3
137.13309	2.0
141.06967	2.1
142.07785	1.6
143.08537	10.3
145.10109	21.9
147.11671	14.1
149.13286	7.8
151.11145	0.9
155.08530	5.3
156.09315	1.5
157.10114	9.8
159.11679	15.4
161.13240	11.2
163.14873	3.0
167.08583	1.7
169.10120	7.3
171.11682	12.0
173.13243	9.7
175.11214	1.3
175.14801	5.2
177.16472	1.1
179.08470	1.2
181.10124	2.0
183.11670	7.1
185.13232	9.0
187.14796	6.4
189.16339	1.6
195.11783	2.7
197.13304	4.9
199.14819	4.5
201.16426	2.8
209.13306	2.0
211.14882	5.1
213.16417	3.8
215.18008	2.6
223.14816	1.4
225.16402	2.4
227.17990	2.4
229.19604	1.6
231.21176	1.5
237.16312	2.1
239.17934	2.4
241.19611	7.3
243.21130	1.4
253.19661	1.2
257.19067	4.0
259.20529	14.1
261.22128	3.4
275.20248	1.9
285.22031	2.0
313.25137	1.3
315.23248	1.5
322.59711	1.0
325.25375	1.5
329.11594	0.9
331.22861	1.0
333.24106	9.2
335.25809	14.0
337.27393	2.5
339.26813	2.3
351.25803	0.9
353.28546	1.2
367.30081	1.3
368.02426	0.9
425.34610	1.3
501.40851	1.9
515.37354	1.2
519.42059	6.7
537.42859	3.3
541.39044	2.0
593.26581	2.3
593.45465	9.4
611.27576	7.0
611.46613	100.0
612.46844	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.2
53.20478	1.3
55.01884	2.8
55.05514	25.7
57.03445	7.3
57.07073	3.9
57.53748	1.3
65.03922	2.8
67.05507	68.7
69.07070	23.9
69.29732	14.6
71.04985	3.7
71.08629	1.6
79.05495	46.8
81.07058	69.3
83.08620	11.4
85.06554	2.4
89.64731	1.4
91.04967	1.1
91.05480	46.2
93.07047	59.6
95.04969	9.3
95.08607	52.9
97.06520	4.3
97.10174	6.2
98.21500	2.5
99.08086	3.2
103.05497	2.6
105.04485	1.6
105.07032	45.4
107.08591	31.1
107.09290	2.1
107.79494	1.3
109.06519	2.3
109.10166	23.0
111.08107	3.2
115.05484	3.9
117.07028	21.2
119.08587	42.0
121.10139	26.0
123.08086	1.9
123.11733	5.3
125.09637	2.6
128.06245	4.6
129.06990	17.9
130.07784	2.9
131.08574	36.4
131.09502	2.3
133.10133	33.8
135.11708	14.6
141.07001	5.5
142.07834	3.2
143.08566	19.5
144.09354	2.5
145.10120	38.7
145.27188	1.5
147.11691	25.0
149.09619	1.7
149.13293	10.1
151.14832	1.3
155.08559	7.1
156.09364	2.0
157.10123	19.3
157.11317	2.1
159.11688	27.3
161.13261	14.3
162.35983	1.3
163.11169	1.6
163.14798	3.1
167.08630	2.1
169.10155	8.8
170.10872	1.7
171.11700	19.5
173.13284	16.2
175.14847	5.6
181.10120	4.1
183.11699	9.8
185.13255	14.5
187.14807	8.9
195.11690	4.2
197.13254	7.6
199.14810	8.7
201.16449	3.2
207.11765	1.6
209.13272	3.6
211.14873	5.1
213.16455	5.7
215.14413	1.5
215.17990	2.6
223.14856	2.1
225.16414	3.2
227.18018	3.1
229.19453	1.7
231.20976	2.0
237.16399	1.9
237.18727	1.7
239.18021	4.1
239.84796	1.5
241.19635	7.7
243.21263	1.8
257.19086	3.9
259.20612	17.5
261.22211	4.6
277.21686	1.5
287.23965	2.3
299.23984	1.9
311.20502	1.4
311.23758	2.5
313.25143	1.6
315.23239	2.1
323.27301	1.3
325.25430	1.6
333.24399	10.0
335.25906	14.9
353.28220	2.0
384.79822	1.3
519.42218	7.5
537.42737	3.6
541.39294	1.8
565.50580	1.7
593.45844	10.2
605.32788	1.4
611.46710	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91093	1.1
55.05513	4.0
56.89519	1.2
58.99866	1.3
67.05502	10.6
68.28078	1.1
69.07070	3.8
71.59338	1.5
71.59752	1.8
77.00907	11.9
79.05492	11.2
81.07060	7.2
83.08604	1.6
87.25580	1.2
91.05470	6.1
93.06537	1.3
93.07038	7.4
95.01363	2.4
95.01927	13.7
95.08615	5.5
105.07044	6.6
107.08595	3.6
107.41975	1.2
109.10180	1.3
117.07009	2.2
118.03501	1.5
119.01897	1.9
119.08575	3.5
121.10123	3.3
131.01924	9.2
131.08571	3.1
133.10130	3.7
135.11678	1.4
136.68456	1.4
143.08546	1.5
145.10130	3.6
147.04391	10.3
147.11740	2.3
149.02982	9.3
159.11740	1.9
161.06000	1.7
171.11678	1.3
173.13300	1.9
181.07048	1.2
185.06262	1.2
187.08167	2.0
191.07698	2.1
197.10068	1.2
201.09723	2.6
215.11259	5.5
219.10750	2.2
229.12856	1.8
231.12238	2.1
233.12315	2.4
239.11220	1.5
243.14262	1.9
247.11751	2.9
247.14069	1.9
249.13231	1.5
259.13330	11.2
297.17029	2.9
298.57352	1.3
299.18549	60.4
300.18872	2.7
313.16260	2.3
315.18198	18.4
317.19620	100.0
318.19922	3.7
319.21085	5.9
333.17221	2.5
334.17847	2.7
335.20743	33.3
335.25632	3.8
338.19647	3.1
340.21185	19.7
358.22272	2.9
371.24246	1.7
409.25696	1.9
575.39612	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	611.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.2
56.96553	1.5
67.05502	3.0
69.03416	1.5
69.07069	1.8
70.06583	3.7
71.04990	1.3
71.59840	1.7
71.60206	1.3
72.08119	1.3
79.05482	3.3
81.03414	2.3
81.07043	4.3
85.02909	3.5
85.08489	1.1
86.09710	2.5
88.84209	1.1
89.03907	1.9
91.05467	4.4
91.13066	1.1
91.47766	1.1
93.07035	2.8
95.04959	2.8
95.08613	3.2
97.02927	1.6
105.07034	3.4
106.67360	1.2
107.04954	2.9
107.08621	2.1
109.02856	1.2
113.28710	1.2
117.03447	1.2
117.07001	2.5
119.04916	1.2
119.08556	2.1
120.08101	1.2
121.06476	1.2
123.11708	1.9
126.39655	1.2
127.03942	2.3
129.10260	1.2
131.04869	1.7
131.08574	2.7
133.06511	2.4
133.10135	1.6
135.04411	1.8
137.06032	2.3
143.36540	1.1
145.02861	1.5
145.06451	1.8
151.03909	1.4
151.07553	1.4
159.08078	1.4
161.06012	1.8
163.03864	7.1
165.05511	1.6
167.07043	19.4
173.06001	1.6
175.07443	1.4
177.05466	1.5
179.07166	1.6
181.04964	4.4
187.07518	1.2
193.08641	1.7
194.12921	1.6
203.05334	1.9
205.08611	1.8
207.06546	1.6
215.07065	1.5
235.09744	1.8
245.06406	3.7
247.09731	2.9
287.03790	2.4
289.05182	7.9
327.22324	1.7
345.23804	12.2
361.22507	1.4
363.24890	4.8
387.23505	2.1
398.14240	1.3
405.24945	3.0
427.59079	1.3
458.17249	1.6
507.28818	7.2
525.30200	6.2
531.29077	3.5
549.30316	14.8
567.31415	20.0
575.28290	13.0
593.29315	59.6
611.30328	100.0
612.30615	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1606
Annotation	Quercetin-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside
Peak:m/z	Relative Intensity
51.33454	0.2
53.03951	0.4
55.01863	0.4
55.05495	0.3
57.03436	2.8
61.02928	0.3
68.99784	0.6
69.03413	0.8
70.06588	0.6
71.04991	18.4
71.34332	0.3
71.34660	0.2
73.02902	0.4
75.04459	0.7
77.03143	0.3
81.03410	0.7
83.04984	0.5
83.86095	0.3
84.04486	0.4
84.08134	0.4
85.02901	22.3
86.09680	0.5
87.04480	0.3
97.02883	0.8
103.03896	0.3
109.02864	0.6
111.00809	0.6
111.04443	0.6
116.98644	0.2
119.55957	0.3
120.08113	0.3
121.02841	1.0
126.35783	0.3
127.03900	0.8
129.05470	4.9
129.10207	0.4
135.23270	0.2
137.02301	2.5
140.07111	0.3
145.04951	0.3
147.04378	0.4
147.06519	0.8
149.02359	0.5
153.01826	3.4
163.03923	2.0
165.01816	2.0
166.08716	0.2
173.06003	0.5
183.02911	1.0
183.04372	0.3
192.71207	0.2
195.56508	0.2
201.05423	1.5
203.03276	0.2
229.04955	3.3
241.01376	0.3
241.04836	0.4
247.06068	0.9
257.04459	2.0
274.04773	0.7
285.03967	0.9
287.05493	23.1
288.05774	0.5
303.04980	100.0
304.05267	1.5
342.33368	0.3
345.06046	0.7
378.94550	0.3
413.08353	0.3
449.11020	1.4
465.10281	14.3
593.26648	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80575	3.1
55.00135	3.0
55.01875	3.8
56.96562	3.3
69.26022	32.6
79.05470	10.7
81.07034	4.2
91.05473	11.2
95.04961	5.9
98.20721	7.0
103.05466	27.0
105.06388	4.6
105.07039	69.3
105.36280	3.2
107.04945	12.6
115.05466	15.5
118.04160	11.8
119.04957	3.2
121.06548	4.5
128.06216	4.9
131.04976	22.0
133.06483	64.3
145.06551	4.1
146.03481	3.3
147.04321	3.5
148.05202	5.7
149.05983	5.6
161.05989	100.0
163.07536	20.2
167.07068	13.8
177.05467	15.6
181.05019	3.6
191.05396	4.8
191.07025	61.7
193.08592	37.0
209.08061	13.4
212.14055	2.9
218.27719	2.9
245.08084	4.6
247.09677	5.3
344.18988	3.2
401.15814	3.3
404.21475	3.3
428.22076	3.3
566.83154	4.0
611.32672	6.4
636.73767	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	611.1601
Annotation	Rutine
Peak:m/z	Relative Intensity
55.05518	0.4
57.03191	0.3
57.03436	2.1
61.02911	0.4
65.03934	0.3
68.99787	0.3
69.03418	0.9
70.07679	1.5
71.01347	0.5
71.04991	11.0
73.02910	0.5
75.04485	0.5
76.59573	0.3
81.03406	0.6
83.04977	0.7
85.02904	16.8
91.03896	0.3
97.02902	1.5
98.82642	0.3
99.04414	0.4
109.02887	0.6
111.00770	0.9
111.04403	0.4
121.02856	0.9
127.03891	1.1
129.05472	4.3
137.02327	2.3
142.00662	0.3
145.04947	0.9
147.06508	1.0
149.02301	0.4
153.01808	3.3
163.03915	0.6
165.00610	0.4
165.01840	1.9
173.06033	0.5
183.02925	0.8
187.03830	0.4
195.02890	0.4
201.05469	0.9
219.06476	0.4
228.04214	0.5
229.04990	3.9
247.06070	0.4
257.04425	2.7
274.04700	0.6
275.05447	0.4
285.03943	0.9
303.04987	100.0
304.05280	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1601
Annotation	Cyanin
Peak:m/z	Relative Intensity
56.05010	0.2
56.66055	0.2
57.03418	0.4
61.02643	0.3
61.02924	3.7
65.03906	0.2
68.99791	0.4
69.03410	0.7
69.95224	0.8
70.06583	0.8
71.04979	0.3
72.08154	0.2
73.02914	0.8
81.03400	0.7
81.07008	0.2
83.04937	0.2
84.04491	0.4
84.08120	0.4
84.88515	0.1
85.02898	4.5
86.09713	0.4
91.03948	2.0
95.04967	0.4
97.02883	2.2
98.20713	0.2
99.04438	0.2
101.02341	0.2
107.04926	0.3
109.02883	0.5
110.07156	0.2
111.00785	0.8
111.04473	0.2
115.03965	0.2
120.08096	0.2
121.02866	2.2
124.80625	0.1
127.03902	1.0
130.04974	0.2
133.02826	0.4
135.61290	0.1
137.02362	1.0
142.09927	0.1
145.04973	0.6
145.06458	0.3
146.04408	0.2
147.04378	0.7
147.07651	0.3
151.03918	0.1
153.01810	2.8
157.06488	0.3
163.03812	0.2
165.01845	1.8
171.04384	0.2
183.02939	0.6
185.05933	0.4
187.03937	0.2
189.05412	0.2
191.93645	0.2
192.14330	0.2
197.06021	0.2
203.38531	0.1
213.05461	1.1
226.12050	0.2
229.04900	0.4
231.06514	0.5
241.04901	1.0
257.04538	0.3
258.05261	0.9
259.05954	0.4
287.05475	100.0
288.05777	1.5
299.05457	0.2
303.04971	5.7
329.06589	0.2
350.08817	0.2
353.06348	0.2
377.01938	0.2
449.10782	7.7
450.10938	0.2
473.10263	0.2
480.34656	0.2
611.30438	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.05511	3.7
55.63657	1.5
60.04514	3.1
61.02924	2.3
64.92852	1.5
67.05502	6.9
69.03432	10.9
69.07059	11.9
69.81155	10.7
70.06587	9.0
71.04984	4.1
72.08124	2.3
74.06075	2.0
79.05482	15.4
81.03404	3.5
81.07050	13.5
83.04972	22.7
84.04514	2.8
84.08140	3.8
85.02893	15.1
85.06535	5.5
86.09676	7.0
91.05446	10.4
93.07037	22.2
95.04980	10.9
95.08595	6.6
97.02883	3.9
97.06523	25.6
98.97572	1.8
99.04452	7.3
99.27596	1.5
101.05988	2.3
105.06374	3.6
105.07022	33.0
107.04929	8.7
107.08583	16.3
109.02853	2.6
109.06508	20.4
110.07161	3.0
111.08069	4.9
117.07008	6.2
119.04939	12.1
119.08581	10.1
121.06498	28.3
121.10131	2.9
123.08060	2.3
125.05987	42.3
127.03924	3.4
127.07558	9.8
129.07011	2.7
129.10204	3.9
130.07777	1.8
131.08537	7.2
133.06479	6.6
133.10133	5.8
135.04355	3.7
135.11667	4.3
137.05974	7.4
139.07556	13.7
143.07031	41.2
143.08565	2.6
144.09319	3.0
145.04976	2.9
145.06422	4.2
145.10107	57.3
147.07991	2.2
147.11667	7.6
151.07570	7.4
154.07750	3.2
155.08588	1.9
156.09227	2.2
157.08612	14.1
158.07283	3.1
159.08034	6.1
159.11670	27.0
161.09641	2.3
161.13254	3.0
163.03955	2.7
163.07541	2.2
163.11176	39.8
169.10167	9.9
171.08093	1.9
171.11685	2.2
172.08769	3.6
173.09601	34.9
173.11020	3.1
177.05434	2.4
177.12727	11.2
187.11169	47.5
191.10648	16.8
197.09595	12.5
205.12221	51.5
207.13731	2.2
209.11736	5.2
215.10655	62.0
223.13268	13.8
233.11713	76.6
251.12784	59.3
269.13815	100.0
303.04852	2.6
308.08939	2.0
561.01398	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
53.54301	1.0
55.01872	3.3
55.05497	4.3
56.05032	2.3
56.82169	1.2
56.96551	1.1
57.03428	5.2
58.99584	13.1
60.04523	2.2
60.79628	1.2
67.05504	9.6
69.03427	3.3
69.07057	2.9
70.06584	14.6
70.33760	4.6
71.04981	3.4
72.08147	3.9
74.00655	3.2
76.02225	91.6
76.03980	7.1
79.05493	9.3
80.05004	2.6
81.03416	62.8
81.07049	9.4
83.04972	3.9
83.06095	3.3
83.08618	15.0
84.04032	2.1
84.04502	28.6
84.08129	5.9
85.02901	5.5
85.04031	7.6
85.06565	1.2
86.09695	5.6
86.99052	4.0
91.05473	14.0
92.01682	3.7
93.07043	8.4
95.04965	19.0
95.08612	3.4
97.01109	2.6
97.02898	4.2
97.06521	1.4
99.04444	1.6
102.05522	2.5
102.35137	1.4
105.07021	9.4
107.04972	6.7
107.08569	3.1
109.02859	1.9
109.06508	2.7
109.10166	1.3
110.06134	1.1
110.07167	2.5
111.02649	1.7
111.08085	5.5
112.03941	2.5
113.03475	2.8
114.03769	2.7
114.05569	1.3
115.05473	1.4
116.01672	22.5
119.04969	1.3
119.08589	7.5
120.08070	1.8
121.06532	1.8
121.10131	4.0
122.06021	1.5
129.06943	7.1
129.10243	3.3
130.04997	22.4
131.04518	8.2
131.08601	5.4
133.06490	2.1
133.10165	3.3
134.32979	1.2
136.07576	2.9
141.04733	1.3
142.03247	9.5
142.07735	1.9
144.01132	11.7
145.02864	1.1
145.06073	4.0
147.04427	2.5
147.08025	2.2
147.11691	5.8
149.09621	3.9
157.10150	7.8
160.00696	1.8
162.02199	43.0
163.03894	2.7
170.02713	2.9
172.63539	1.3
175.11174	10.9
177.03275	23.2
177.04994	1.9
177.05481	2.3
177.10490	1.1
179.04843	91.9
181.06259	2.2
185.03862	3.6
187.05318	3.5
193.12225	45.2
211.13298	5.6
215.04878	3.0
216.13927	1.2
226.82779	1.4
231.04382	3.3
232.44005	1.5
233.05908	22.1
237.02789	1.9
245.05887	3.9
250.12546	3.6
265.11664	1.3
267.15866	25.8
272.13626	1.2
285.07574	3.4
285.16928	10.2
286.07889	5.3
288.06299	1.3
290.07965	1.6
291.06400	3.3
294.17059	1.5
303.04883	8.9
306.07419	1.9
308.09094	100.0
322.16428	1.3
360.18488	1.4
396.20212	2.9
400.17535	1.3
445.20004	4.1
517.22119	2.5
518.20972	1.2
574.24127	3.1
592.25427	4.0
610.27881	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36138	0.8
52.51120	0.7
53.03936	4.0
55.01867	1.7
55.05505	9.9
56.49213	0.8
57.03435	9.4
57.07051	2.0
59.88374	0.8
65.03938	1.4
67.05499	32.0
69.07060	11.3
71.04980	2.1
79.05486	35.3
81.03402	1.9
81.06572	1.9
81.07050	32.5
83.04961	2.5
83.08602	4.2
85.06542	4.0
91.05476	37.7
93.07038	39.7
95.04956	5.7
95.08595	23.2
97.06539	2.8
97.10153	2.5
99.04430	1.9
103.05469	0.8
105.04519	0.9
105.07026	27.9
107.04947	3.5
107.08585	21.0
109.06508	6.0
109.10155	7.5
111.08084	1.8
115.05464	0.9
117.07013	11.7
119.08569	22.6
121.06457	1.8
121.10136	14.4
123.08076	2.6
123.11713	1.3
129.07010	3.1
131.08559	20.5
133.10117	15.1
135.08064	2.8
135.11699	7.6
137.09624	1.8
143.08546	1.9
143.19115	1.0
145.10101	10.7
147.11665	7.5
149.09605	2.3
149.13245	2.6
153.12747	2.4
157.10098	1.9
159.11697	6.8
159.24922	0.9
161.13272	2.4
163.11224	1.4
171.11644	1.5
173.13251	3.5
175.14845	2.1
177.12677	0.8
179.14348	1.4
183.11588	0.9
185.13193	4.1
197.13277	0.9
201.16374	4.5
203.14323	3.2
209.15349	1.4
219.17421	100.0
220.17769	1.4
257.19052	3.1
261.22015	0.9
275.20044	24.4
293.21109	1.9
349.23645	1.2
470.20007	1.0
609.45013	33.0
610.45532	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.451
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03933	2.1
55.01859	1.8
55.05514	15.5
56.05080	1.4
57.03416	3.4
57.07077	2.0
67.05504	31.8
69.07060	9.6
71.60789	1.8
79.05488	19.8
81.07053	29.5
83.04988	1.6
83.08632	8.8
91.05474	19.6
93.07038	23.4
95.04978	3.7
95.08595	22.1
96.62519	1.3
97.06554	2.2
97.10185	4.8
103.42158	1.3
105.07037	20.4
107.08601	14.6
109.06534	1.4
109.10146	10.8
111.08093	2.6
115.05466	1.7
117.07027	8.9
119.08580	18.8
121.10139	10.1
123.11660	1.6
125.09633	2.3
129.05542	1.5
129.06996	13.1
131.08563	17.4
133.10117	13.5
135.11714	6.2
137.09724	1.8
141.07034	5.7
143.08566	15.9
145.10114	19.9
147.11710	7.6
149.13330	3.0
154.07788	1.7
155.08521	11.5
156.09369	2.5
157.10115	16.5
159.11674	14.3
161.13322	4.5
167.08601	5.3
168.09387	3.1
169.10098	12.7
171.11746	12.0
173.13266	7.5
175.14810	2.9
179.08560	3.0
181.10060	8.8
182.10898	1.8
183.11650	15.1
185.13242	11.1
187.14835	5.3
189.16455	1.5
193.10216	1.9
195.11664	8.5
197.13257	12.3
199.14874	5.9
207.11832	4.6
209.13324	6.8
211.14815	8.9
213.16376	3.2
221.13377	3.5
223.14845	6.0
225.16400	4.8
227.18015	4.2
229.19556	1.8
235.14975	4.6
237.16508	5.8
239.18033	5.8
251.18008	1.9
257.19214	4.6
267.21140	1.6
275.20313	2.0
279.21381	2.1
311.23495	1.7
331.22885	2.5
335.25873	2.0
409.31061	1.7
447.32397	2.2
464.24887	1.9
517.40619	14.7
535.41260	7.3
573.43671	2.4
591.43866	13.6
609.45306	100.0
610.45544	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	609.451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
53.48802	0.3
55.01878	1.7
55.05259	0.4
55.05510	6.5
57.03438	1.5
57.07063	0.7
65.03941	0.8
67.05501	15.6
69.07064	6.4
71.04974	0.7
75.75406	0.3
76.53925	0.3
77.03923	0.3
79.05489	15.6
81.03400	0.6
81.07053	17.1
83.04970	1.1
83.08610	2.3
85.06525	0.4
91.04884	0.4
91.05475	12.3
93.07039	14.4
95.01301	0.3
95.04964	3.0
95.08603	10.3
97.06530	2.0
97.10158	0.9
98.21565	0.5
103.05445	0.4
105.04495	0.3
105.07024	10.7
107.04952	1.4
107.08591	8.5
107.09292	0.6
109.06512	2.1
109.10159	4.3
111.08071	0.5
113.09647	0.3
115.05446	0.6
117.07008	4.4
119.08578	9.0
121.06538	0.6
121.10145	4.6
123.08062	0.5
123.11684	1.2
125.09611	0.5
128.06226	0.6
129.06985	2.3
130.07811	0.5
131.08562	8.0
133.06508	0.3
133.10124	6.1
135.08069	0.6
135.11681	3.2
141.07010	0.9
142.07819	0.3
143.08559	3.2
144.09373	0.3
145.10114	8.7
145.11264	0.4
147.07988	0.4
147.11671	4.2
149.09615	2.3
149.13260	1.6
151.11154	0.4
155.08534	2.1
157.10136	2.6
159.08060	0.4
159.11681	5.6
161.13257	2.0
163.11221	1.2
163.14830	0.6
167.08574	0.7
168.09349	0.4
169.10107	2.7
171.11655	2.2
173.13254	2.8
175.11162	0.3
175.14871	0.9
177.12852	0.5
179.14319	0.6
181.10165	0.8
183.11664	2.3
185.13260	1.6
187.14804	0.9
188.34489	0.3
189.16382	0.3
195.11641	0.8
197.13297	1.7
198.79965	0.3
199.14890	0.7
201.16393	0.7
203.14325	0.4
209.10724	0.4
209.13260	0.8
211.12383	0.7
211.14731	0.6
213.16315	0.7
215.18057	0.4
219.17377	1.4
221.10858	0.3
222.11601	0.3
223.12518	0.5
223.14751	0.5
224.13130	0.6
225.13789	0.3
225.16370	0.4
229.19542	1.0
229.79263	0.3
236.13133	0.4
237.13933	0.7
237.16432	0.4
238.14636	0.4
239.15588	0.5
239.17960	1.6
241.19527	0.3
247.20616	0.6
251.15399	0.4
255.17599	0.3
257.19009	4.1
259.20474	0.3
261.22244	0.8
275.20056	12.8
284.56714	0.3
293.21097	1.0
331.22629	1.3
335.14487	0.3
335.25751	2.3
336.14682	0.4
351.26770	0.4
361.15262	0.3
363.17154	0.3
375.16812	0.5
376.17026	1.3
377.17484	1.4
378.18408	0.9
388.17557	0.5
389.18057	1.5
390.18811	1.7
391.19150	3.9
392.19824	2.4
393.20761	1.0
399.16171	0.5
400.16940	1.3
401.17621	1.0
402.18671	0.5
403.19684	1.4
404.20541	1.6
405.20950	5.8
406.21667	3.5
407.22266	5.8
408.22714	0.7
413.17618	0.9
414.18402	1.3
415.19275	3.4
416.19934	1.0
417.16241	0.4
417.20917	1.1
418.21829	0.4
419.18573	2.2
419.22610	1.7
420.23499	1.4
421.23868	5.8
422.24561	1.2
427.19263	1.2
428.19943	1.2
429.20956	4.1
430.21829	2.5
431.18329	1.1
431.22617	1.1
432.19559	1.2
433.16052	1.3
433.20251	1.9
433.24393	1.2
434.20834	1.0
435.21805	1.1
441.21292	0.5
442.16516	0.5
442.21741	1.0
443.22803	1.9
444.23370	2.1
445.15216	0.4
445.20084	1.1
446.21118	1.3
447.17252	3.9
448.18839	1.2
449.23367	1.3
451.21051	0.7
452.22198	0.9
456.19473	0.5
457.24417	3.2
458.24500	1.1
459.21744	3.3
460.23352	2.5
461.19092	8.5
462.20200	4.5
463.20901	2.6
464.22079	0.4
465.22958	0.3
470.21140	1.0
471.17563	0.5
471.22775	0.4
472.23306	1.7
473.19553	1.2
474.19690	1.5
475.21021	10.9
476.21585	10.3
477.22171	6.6
478.23209	1.9
479.24469	1.6
480.25674	0.4
484.18814	0.4
485.23587	12.1
486.20752	3.3
487.20996	1.4
487.25064	1.3
488.21683	1.6
489.22833	7.4
490.23431	0.9
493.21902	0.9
493.26877	0.5
494.26849	1.4
497.23453	0.8
499.21228	3.6
500.21933	2.7
501.22601	1.1
502.23404	0.9
503.24484	9.0
504.24588	2.3
505.22217	0.8
507.23972	0.9
513.22540	2.1
514.23120	0.8
515.24390	10.6
516.24957	1.8
517.22528	1.2
517.40253	1.4
518.23340	0.8
521.26086	3.8
522.25555	0.6
531.23877	20.2
532.24255	2.8
533.25391	0.5
534.23029	0.3
535.23358	1.2
535.41382	0.7
541.22119	1.0
548.24237	1.0
549.24829	3.0
550.25555	5.5
551.25598	0.6
559.23376	9.4
560.23682	1.4
577.24487	1.7
578.24396	0.5
591.25995	36.0
591.44244	1.2
592.26306	5.6
609.27039	100.0
609.44519	22.7
610.27405	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	609.2705
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03936	0.6
55.05505	2.1
57.03426	0.6
64.46631	0.5
67.05508	4.5
69.07056	1.3
70.78640	1.1
70.78969	0.5
79.05496	4.0
81.07069	3.4
83.08642	0.8
88.03280	0.4
91.05485	3.7
93.07048	4.7
95.04980	1.3
95.08624	3.3
97.06535	0.7
97.10145	0.5
98.20865	0.5
105.07043	2.3
107.08585	2.3
109.10162	1.2
117.07035	1.4
119.08591	3.2
121.10168	1.9
129.06953	1.0
131.08585	1.8
133.10118	1.6
135.11708	0.8
143.08560	0.6
145.10095	2.4
147.11690	1.4
157.10135	0.8
159.11691	1.9
163.11206	0.7
171.11650	0.5
179.14377	0.6
183.11801	0.5
185.13290	0.7
211.14769	0.5
219.17480	0.9
231.40271	0.4
239.15393	0.6
239.18031	0.5
251.15387	0.5
256.69873	0.6
257.19073	1.5
275.20032	3.0
300.15247	0.5
335.25751	0.6
389.18542	0.9
390.18329	1.3
391.19376	1.8
392.19907	0.9
400.17535	0.7
403.19553	1.3
404.20425	1.1
405.21014	3.2
406.21439	1.7
407.22604	2.7
415.19220	1.5
416.20267	0.5
419.18472	1.1
420.23242	0.6
421.24030	3.8
429.20871	1.9
430.21906	0.6
431.22867	0.7
432.19391	0.8
433.20337	1.1
445.20364	1.6
447.18253	2.0
449.23587	0.8
452.23196	0.5
457.24185	0.7
459.22067	1.4
460.22839	1.1
461.19232	4.9
462.20520	1.5
463.21204	0.9
472.22870	0.7
474.20517	1.2
475.21167	8.0
476.21814	5.2
477.22598	4.8
485.23523	4.7
486.20569	2.1
488.22049	1.1
489.23022	5.1
493.21921	0.7
499.21515	3.2
500.22229	0.8
503.24625	7.0
504.21613	0.9
513.22705	1.1
515.24506	5.4
517.22406	1.5
518.22632	0.7
521.26343	2.2
531.23846	8.6
535.23755	1.3
549.25024	1.8
550.25867	3.5
559.23138	4.0
563.26575	1.3
577.24677	1.9
591.25964	13.7
609.27032	100.0
609.44812	6.5
610.27179	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01863	3.4
56.96573	5.7
65.03928	2.5
67.05499	3.1
69.87801	13.2
70.37502	2.4
79.05487	5.6
81.07053	2.1
82.85304	2.4
85.02940	3.2
88.62494	1.9
91.05489	6.3
93.07027	3.2
95.04963	2.7
95.08622	1.9
103.05486	28.4
104.18750	2.4
105.03366	3.1
105.07022	9.8
107.04951	17.6
109.96410	2.0
111.09972	2.1
112.46273	2.0
115.05458	6.5
115.55124	2.3
116.98582	3.0
117.07063	2.9
118.04195	5.2
119.04955	3.0
123.04466	2.1
125.06023	2.8
131.04942	25.9
133.02858	3.9
133.06491	14.6
135.04297	2.6
137.05994	2.5
147.04428	3.2
148.05188	15.7
154.31265	2.1
157.06558	4.3
161.06015	8.3
163.07556	27.5
165.05475	5.4
167.07030	26.2
171.06573	3.8
173.06000	5.3
176.04739	3.2
176.08369	2.6
177.05492	2.5
179.07085	3.2
180.16911	2.7
181.04973	49.3
191.07039	100.0
193.08633	5.8
197.08128	14.1
197.79344	2.4
199.67302	2.0
205.08661	2.3
207.06577	5.6
217.08612	2.3
233.08170	4.1
239.09201	3.8
245.08157	16.5
264.07825	3.1
267.08719	9.8
279.10062	3.2
307.09613	2.3
339.12314	4.7
341.17831	4.2
343.19397	3.7
344.12399	2.3
357.13339	2.5
359.18924	3.4
361.20361	12.1
367.11917	10.1
371.14771	5.3
381.13403	5.9
383.15063	5.8
399.14389	31.0
403.21625	30.8
417.15701	4.1
445.22461	3.2
470.60864	2.4
609.26282	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	609.2703
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
51.32406	0.3
53.03952	0.5
55.05521	1.7
57.03409	0.4
65.47233	0.3
67.05508	2.9
69.07059	1.4
70.72264	0.3
79.05492	3.2
80.16438	0.3
81.07061	4.8
83.08606	0.9
86.88438	0.3
91.05477	3.2
93.07036	3.6
95.04961	0.8
95.08607	2.6
97.06552	0.5
98.21571	0.8
105.07040	3.4
107.08591	1.5
109.10165	1.0
114.77935	0.4
117.07041	1.4
119.08593	1.5
121.10146	1.0
129.06995	0.4
131.08589	1.6
133.10126	1.0
135.11774	0.7
137.09544	0.5
143.08583	0.9
145.10146	2.0
147.11688	1.3
157.10149	0.5
159.11739	1.1
169.10149	0.6
171.11684	0.7
173.13190	0.3
183.11720	0.8
185.13332	0.5
194.34650	0.4
197.13197	0.4
211.12392	0.6
211.14684	0.4
219.17503	0.6
223.12273	0.5
224.13075	0.7
225.13922	0.4
235.12434	0.4
237.13863	0.5
238.14777	0.6
239.17958	0.5
239.31735	0.4
240.94981	0.4
256.92258	0.3
257.19049	1.2
275.20035	2.8
275.90976	0.3
279.11295	0.5
335.25815	0.7
374.16757	0.6
375.16620	0.9
376.16980	0.9
377.17871	1.1
378.18741	0.6
388.17831	0.4
389.18201	1.4
390.18884	1.3
391.19348	2.4
392.20047	1.7
393.21005	0.7
399.16312	0.6
400.16858	0.6
401.17636	1.2
403.19681	0.9
404.20532	1.1
405.16547	0.5
405.20880	5.3
406.21643	2.5
407.22403	4.4
407.27505	0.6
413.17636	1.0
414.18875	0.8
415.19263	3.2
416.20218	0.8
417.21158	0.8
419.22998	2.8
420.23434	1.7
421.23929	6.2
422.24503	0.7
427.19327	1.1
428.19925	0.9
429.21088	3.4
430.22330	1.9
431.18384	1.1
431.23138	0.8
432.19385	1.1
433.20081	1.4
433.24265	1.4
434.25000	0.6
435.21527	0.6
442.21518	1.2
443.22449	1.2
444.23621	2.0
445.15094	0.5
445.20755	1.8
446.21140	0.4
447.18286	2.7
448.18445	0.7
449.23630	1.4
452.22513	0.5
456.19318	0.7
457.24323	3.6
459.22211	3.1
460.23404	1.7
461.19141	7.2
462.20200	2.4
463.21362	1.6
470.21323	0.7
471.18048	0.6
472.22888	1.7
473.19437	0.7
474.20804	1.5
475.21021	10.0
476.21799	7.7
477.22443	6.2
478.23685	0.7
479.24509	0.8
485.23553	9.2
486.20151	3.7
487.24933	1.4
488.22009	1.0
489.22977	6.7
490.20248	0.5
493.21909	1.0
494.26898	1.3
497.23483	1.1
499.21262	2.5
500.22324	1.7
503.24448	7.6
504.21826	0.8
507.24005	0.7
513.23120	1.6
515.24438	9.5
517.22192	1.0
518.23059	0.6
521.26331	2.6
531.23889	18.7
535.23492	1.0
541.22522	1.0
548.24164	0.7
549.25098	2.1
550.25800	3.9
559.23389	8.6
574.45270	0.5
577.24500	1.4
591.26038	34.3
592.26520	0.7
609.27063	100.0
609.44916	6.0
610.27612	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57383	2.3
56.96556	3.0
65.03934	3.1
65.18987	2.4
67.05503	4.1
69.03430	4.9
70.06589	3.1
71.59289	3.4
78.04698	3.6
79.05498	14.9
81.03417	4.1
81.07054	7.7
85.02914	4.0
86.09721	3.2
87.51908	2.1
90.62743	2.0
91.05473	8.7
93.07043	5.4
95.04947	6.1
95.08578	4.5
97.02970	2.3
97.06465	2.5
101.02413	3.1
103.05472	8.6
105.04527	2.1
105.07026	10.8
106.04149	2.5
107.04952	87.2
107.08582	3.7
112.25645	2.3
115.05447	7.7
116.98663	2.4
117.07010	9.3
118.04120	2.7
119.04958	2.7
119.08580	3.5
121.06516	7.2
121.10187	2.8
123.04428	24.0
124.05144	3.3
125.05977	2.6
128.06230	6.9
129.06989	8.5
131.04932	26.9
131.08600	3.1
133.06494	25.7
133.10121	2.7
137.05943	11.6
141.06963	4.1
143.08485	2.5
144.05693	3.5
145.06467	15.0
147.04404	5.9
147.08055	10.1
149.06029	7.4
151.03984	2.7
155.04929	2.4
155.06134	3.2
156.05669	7.8
157.06467	28.6
158.07217	2.4
159.04417	3.7
159.08008	3.2
161.05972	10.3
163.03899	4.6
163.07579	4.5
165.06956	2.9
167.07028	100.0
167.08412	5.1
170.07274	7.7
173.06000	12.1
174.06793	4.4
175.03851	4.0
175.07544	10.2
176.04646	3.1
177.05467	7.1
179.07010	5.0
181.05003	13.3
181.06406	2.4
181.08612	8.5
183.06523	2.5
184.05219	5.5
185.05983	13.3
186.06781	4.2
187.03873	14.8
187.07553	6.5
189.05441	3.4
189.06987	3.8
190.06273	5.9
191.07060	11.8
193.08598	8.2
198.06833	3.7
201.05557	2.8
201.09126	4.0
203.08588	3.5
203.10796	2.6
205.06648	5.2
205.08629	14.1
207.06535	9.8
213.05449	12.7
216.07762	3.1
217.08586	15.1
218.07289	7.8
219.06342	19.7
219.08179	9.9
219.10179	5.3
220.08890	2.4
229.08553	6.2
231.08046	8.9
231.10188	25.6
233.07742	10.9
235.07513	5.6
235.09581	3.2
236.08340	4.7
237.09177	4.1
245.08078	88.5
247.07553	16.8
247.09692	4.2
248.08249	12.3
249.09160	3.8
259.07541	2.9
260.08243	5.0
261.09094	7.6
262.06302	2.6
262.09796	5.5
263.06802	4.4
263.08920	19.7
264.07745	5.6
265.08676	7.3
271.09653	3.7
274.06204	2.3
275.07095	8.1
276.07800	9.5
277.08496	10.6
278.09341	3.8
279.06573	3.1
279.10132	4.2
281.07965	2.9
287.06906	3.9
289.05450	4.1
289.08594	5.1
290.09320	6.9
291.06870	4.1
291.10153	17.5
292.07376	8.7
292.10272	2.8
293.08139	10.7
294.08774	2.6
295.09650	3.3
305.07910	4.7
306.08899	4.5
307.09561	12.5
308.06949	3.1
308.10446	9.8
309.07706	3.2
309.11066	2.9
315.08667	8.0
319.09634	9.9
320.10483	3.1
321.07547	6.7
321.11185	4.3
322.08212	4.0
323.09265	4.5
323.12439	10.7
324.09756	4.3
330.10928	6.6
331.11758	8.1
335.09024	5.6
336.10019	8.2
337.10654	9.6
338.11481	3.6
339.12238	14.9
351.12231	29.6
352.09561	2.9
353.10110	9.6
367.11761	16.0
368.12491	9.1
369.13501	3.6
371.14807	6.3
381.13196	3.8
383.14862	84.0
385.16360	11.5
399.14395	45.5
401.15802	16.6
417.15439	14.3
565.28961	9.4
570.21405	2.6
573.26801	3.1
591.28223	4.3
609.29755	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.291
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
50.47498	0.4
53.37141	0.4
57.92776	0.4
70.94615	1.1
70.94962	0.7
81.72141	0.4
112.95867	0.4
138.82031	0.5
139.42931	0.5
143.57391	0.4
160.08119	0.5
219.86407	0.5
253.77245	0.5
321.92856	0.5
387.15860	0.9
389.17654	1.7
401.17834	0.9
401.58658	0.5
402.18301	1.0
403.19208	3.2
404.20001	1.0
405.15027	0.4
405.20731	1.8
416.20255	1.1
417.21060	4.2
418.21616	2.7
419.22147	3.2
430.17953	1.6
431.18085	7.9
432.19403	1.5
432.24139	0.6
433.23965	10.1
434.24448	1.1
444.18900	0.6
445.19672	8.9
446.20795	5.0
447.21597	3.5
459.21246	4.0
460.22430	13.2
461.23264	13.3
473.23511	3.7
474.24014	1.0
477.22668	0.7
487.24826	1.6
489.23151	0.9
491.24640	0.6
492.25504	0.6
505.21960	2.4
515.24426	0.7
519.27795	1.4
526.76733	0.5
532.24878	1.0
547.27008	44.5
548.27362	1.6
575.26501	0.9
579.29309	1.1
607.29077	100.0
608.29486	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.181
Annotation	Diosmin 
Peak:m/z	Relative Intensity
55.05515	0.2
55.63971	0.1
56.96566	0.1
57.03433	0.2
58.68933	0.1
67.05461	0.1
69.03427	0.5
70.06583	0.9
71.04987	0.7
71.59499	0.2
72.08127	0.2
79.05467	0.2
79.46648	0.1
81.03416	0.2
81.07039	0.4
83.04971	0.2
84.04499	0.1
84.08131	0.5
85.02899	1.8
86.09696	0.4
87.00810	0.1
91.05486	0.3
93.07044	0.2
95.08604	0.3
97.02876	0.5
103.10420	0.1
105.01857	0.1
105.07018	0.2
109.02864	0.2
110.07127	0.1
111.04433	0.2
121.06500	0.1
123.04388	0.1
125.86149	0.1
127.03894	0.3
128.06172	0.1
128.07060	0.2
129.05449	0.3
129.06967	0.2
131.08542	0.3
135.04411	0.2
136.34749	0.1
137.05971	0.5
141.06964	0.1
147.04340	0.1
149.05951	0.2
151.03923	0.2
153.01843	0.4
157.06517	0.2
159.08047	0.2
163.03865	0.4
167.07059	0.3
167.88858	0.1
171.02939	0.2
174.06726	0.2
175.03853	0.2
175.07552	0.2
179.06981	0.1
181.04901	0.1
189.09071	0.7
201.09044	0.3
203.10612	0.3
207.06432	0.2
211.16637	0.1
219.10144	2.5
229.04938	0.3
257.04340	0.3
258.05225	15.4
259.05588	0.2
285.07596	1.6
286.04694	36.0
287.05023	0.5
301.07034	100.0
302.07349	1.4
463.12186	0.4
556.10950	0.1
609.18433	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2908
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
55.84732	0.1
61.41420	0.1
62.90621	0.1
67.10612	0.1
70.94672	0.2
70.94997	0.2
91.38084	0.1
109.49751	0.1
146.13130	0.1
196.09943	0.2
207.09186	0.1
209.10722	0.2
221.10684	0.2
223.12289	0.2
286.13327	0.1
312.14713	0.2
323.14078	0.2
375.26657	0.1
377.17615	0.2
387.16177	0.5
388.16937	0.4
389.17603	1.2
390.18835	0.3
391.19257	0.2
399.29309	0.1
401.17899	0.7
402.18350	0.9
403.19180	3.0
404.19888	1.2
405.20776	1.4
415.19598	0.6
416.15536	0.3
416.20642	0.9
417.16663	0.8
417.21344	3.2
418.21826	1.7
419.22305	3.4
429.16306	0.2
429.21326	0.3
430.17841	0.8
430.22125	0.5
431.18152	7.2
432.18829	1.8
433.24042	7.3
433.67502	0.1
434.24738	1.2
436.66071	0.2
443.18533	0.4
444.19562	0.5
444.24301	0.2
445.19803	8.0
446.20731	3.7
447.21597	3.8
449.23111	0.3
457.20349	0.3
458.21027	0.2
459.21451	3.9
460.22479	11.0
461.23315	9.9
462.19727	0.3
462.24500	0.2
472.23035	0.3
473.23526	2.8
474.24149	1.0
475.21347	0.2
477.22964	0.5
487.25229	1.3
488.25446	0.4
489.23010	0.4
491.19336	0.1
491.25351	0.7
492.25070	0.7
501.22845	0.2
504.25073	0.3
505.21872	3.1
506.26645	0.4
515.24561	0.5
517.22235	0.2
518.22882	0.4
519.24194	1.4
519.26959	1.3
520.24469	0.4
532.24371	0.8
533.25702	0.3
545.69543	0.2
547.26990	24.4
548.27667	1.2
549.25031	0.2
564.27161	0.2
575.26440	1.0
578.25159	0.3
579.29639	0.6
592.26288	0.2
607.29053	100.0
608.29376	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2547
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
67.05486	0.5
96.37532	0.3
105.07027	0.4
111.87597	0.3
144.45808	0.3
219.36838	0.3
258.86203	0.3
310.13345	0.3
375.15982	0.5
388.17297	0.5
389.17697	1.3
390.18280	0.7
391.19214	0.7
399.31992	0.3
401.17502	0.4
403.14792	0.4
403.19611	1.7
404.20081	0.9
405.20721	1.7
416.16245	0.5
417.16302	2.3
417.21375	1.0
418.21826	0.6
419.22440	2.7
420.23016	0.5
431.18268	3.8
432.18799	1.5
433.20059	2.0
435.22369	0.4
445.20309	2.8
446.20926	3.9
447.21713	4.5
454.24060	0.3
459.17413	0.4
459.22485	0.5
461.19760	0.6
474.20425	3.1
475.21313	2.6
487.21503	0.8
488.22888	0.4
491.19931	1.5
501.22839	0.7
505.22107	0.5
519.24060	8.0
520.24133	0.4
547.23401	7.1
572.94403	0.4
575.22833	0.4
579.26038	3.5
607.25476	100.0
608.25903	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2551
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
54.15822	0.5
55.05433	0.5
58.31765	0.4
67.05421	0.6
69.40462	1.2
69.40868	3.8
75.33909	0.6
75.44135	0.5
79.05418	0.5
81.06949	0.8
91.05352	0.8
93.06924	0.6
95.08443	0.6
98.20758	0.7
100.97586	0.5
103.08834	0.5
105.06870	0.5
131.08447	0.6
163.67838	0.5
198.60074	0.6
201.74078	0.5
210.32014	0.5
223.12263	0.5
261.42801	0.5
374.14954	0.7
375.15982	1.6
376.17285	0.7
387.16122	1.0
388.16699	1.3
389.17484	3.4
390.18253	1.7
391.19043	1.3
401.17853	1.0
402.18256	1.7
403.19437	7.1
404.20120	2.9
405.20859	3.3
413.17691	0.6
415.15259	0.8
416.15964	1.0
417.16299	6.0
417.21042	2.1
418.17603	1.6
418.22031	0.9
419.22421	8.1
430.17551	1.5
431.18213	11.1
432.18924	3.9
433.20114	3.4
443.18475	0.7
444.19327	0.8
445.20032	7.3
446.20932	7.2
447.21680	11.6
457.20102	0.9
459.17957	2.4
459.22247	1.7
461.19601	1.6
463.25308	0.9
473.19650	1.9
474.20413	12.0
475.21213	13.3
477.22586	0.7
487.21375	2.9
488.21848	1.0
490.23648	0.9
491.20535	1.7
501.22818	1.7
505.22223	0.8
519.24091	12.1
547.23383	70.3
548.23584	3.5
561.24872	1.4
564.81873	0.6
579.25873	4.2
589.24628	1.3
607.25507	100.0
608.25775	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.236
Annotation	Woorenoside II
Peak:m/z	Relative Intensity
50.20976	0.3
61.63946	0.4
65.03961	0.4
69.03413	0.6
69.66978	0.6
69.67372	2.2
70.06581	2.1
72.08129	0.7
74.37949	0.3
77.08711	0.3
80.72010	0.4
81.03403	0.7
81.07024	0.4
84.04481	0.5
84.08147	0.9
85.02891	0.9
86.09703	1.2
91.05462	1.4
97.06535	0.7
97.25742	0.4
102.73880	0.3
107.08559	0.3
110.07178	0.6
111.04192	0.5
120.08125	0.8
121.02932	0.4
127.03902	0.4
129.10239	0.5
129.98351	0.4
136.07603	0.5
137.05969	0.8
138.06432	0.4
141.47304	0.3
189.05222	16.7
190.05992	2.1
207.06514	0.5
233.11722	0.6
238.11121	0.3
239.05418	0.4
250.14369	0.4
309.30142	0.3
344.44901	0.3
369.71558	0.4
429.15125	1.7
430.16147	0.7
444.17627	1.9
445.18335	12.1
519.54034	0.4
576.15936	0.4
607.23578	100.0
608.23853	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2547
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
51.22242	0.2
66.89742	0.3
69.27174	0.8
69.27590	1.6
105.07016	0.4
195.09183	0.3
197.54257	0.2
209.10748	0.3
210.11591	0.2
223.12337	0.4
233.10759	0.3
235.12184	0.2
268.12173	0.3
373.14484	0.4
374.15396	0.4
375.16101	0.9
376.16937	0.7
377.17847	0.3
387.16138	0.6
388.16959	1.0
389.17630	3.0
390.18472	0.9
391.19385	1.0
400.17984	0.3
401.17789	0.9
402.14151	0.3
402.18634	1.0
403.19501	4.5
404.19983	2.0
405.20728	3.7
415.19824	0.5
416.16373	0.9
416.20819	0.4
417.16357	4.7
417.21146	1.8
418.17346	0.8
418.21634	1.2
419.17728	0.5
419.22476	6.3
420.23019	1.1
429.16574	0.5
429.21552	0.4
430.17880	0.9
430.22495	0.3
431.18274	8.2
432.19217	3.4
433.20114	4.4
443.18640	0.3
444.19492	0.4
445.20163	5.7
446.21036	8.1
447.21719	9.1
448.22601	0.6
457.20847	0.2
459.17770	1.0
459.22131	1.3
460.18707	0.8
461.19385	2.0
462.24316	0.6
463.25192	0.7
473.19455	0.9
473.24603	0.4
474.20383	5.6
475.21036	5.1
477.23416	1.1
478.23422	1.1
487.21387	1.9
488.21719	0.5
489.18793	0.3
490.24362	0.5
491.19995	3.2
501.22699	1.1
504.21344	0.5
505.22308	1.0
506.23096	0.4
519.24054	17.0
520.24225	0.6
529.22430	0.3
533.22339	0.4
547.23364	12.9
548.23901	0.4
551.26337	0.6
561.25281	0.6
579.26019	5.9
589.24390	0.2
606.42847	0.5
607.25488	100.0
608.25903	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	604.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05012	2.4
53.03932	6.6
54.99594	2.7
55.01859	4.8
55.05496	9.9
57.03434	3.8
57.07062	3.5
59.77692	2.5
61.02913	4.3
63.70728	2.3
67.01857	4.1
67.05499	20.8
69.03430	15.2
69.07062	15.7
70.06591	17.5
71.04993	4.8
71.11901	7.5
72.08139	6.4
73.72220	2.4
79.05485	12.8
81.03407	17.4
81.07052	52.2
83.04984	5.5
83.08627	4.4
84.04491	3.7
84.08137	9.8
85.02895	27.2
85.06515	4.0
86.09687	15.9
87.00809	10.0
88.89082	2.7
91.05478	18.5
93.07040	41.0
95.04957	7.9
95.08595	39.4
96.08868	2.7
97.02896	11.6
97.06516	6.8
97.10139	4.9
99.04454	7.6
103.05421	3.6
105.01863	10.1
105.07028	46.3
107.04931	5.7
107.08585	47.4
109.02863	10.9
109.06522	10.5
109.10154	30.7
111.08080	3.4
115.05483	3.7
117.07004	10.0
119.04980	5.5
119.08578	58.2
120.08112	3.5
121.06497	14.2
121.10131	27.2
122.38063	2.9
123.08105	5.0
123.11715	19.9
125.05958	2.5
125.09640	4.2
127.03920	21.0
129.06920	2.7
129.10182	3.0
131.08589	14.5
133.10141	21.4
135.08052	52.7
135.11697	15.5
136.07520	4.6
137.05983	4.6
137.09598	3.8
137.13242	14.1
138.06374	2.5
138.78825	2.4
143.08565	8.6
145.04938	10.3
145.10100	30.8
146.53070	2.5
147.04443	5.2
147.08035	4.5
147.11687	31.4
149.09624	7.3
149.13275	8.5
151.03873	6.4
151.11127	3.4
153.12660	2.7
157.10080	14.1
159.02921	4.8
159.11707	19.0
161.09602	19.8
161.13261	6.9
163.03973	4.5
163.11209	9.3
163.14777	2.7
165.12823	3.0
169.10100	6.5
171.11697	9.8
173.09497	4.7
173.13261	7.7
175.03979	5.4
175.11185	18.0
175.14859	6.5
176.04324	3.6
177.05188	2.8
177.12743	6.2
177.16409	7.4
179.10754	3.5
183.11679	7.5
185.13289	5.9
187.14754	3.7
191.07022	66.9
192.07361	37.1
193.04967	25.6
194.05348	3.5
197.13240	3.8
199.14801	7.1
201.12633	5.5
201.16313	6.6
207.06450	15.5
208.06905	8.1
209.04231	2.6
211.14790	6.7
213.16397	4.0
217.08574	6.8
217.15817	4.9
218.08846	3.2
225.16473	3.8
227.17949	9.3
229.15994	12.7
229.19559	3.9
232.10614	2.9
235.09633	100.0
236.09981	77.4
237.10205	3.9
257.22736	4.2
263.16544	4.1
267.21094	24.6
285.22122	43.4
301.91510	2.9
303.23114	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	602.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
57.03409	0.3
60.04521	0.5
60.35200	0.3
61.02909	0.3
63.29268	0.2
69.03420	0.7
69.75675	1.9
70.06575	1.3
72.08152	0.8
78.04714	1.8
79.05492	2.7
81.03409	0.6
81.07037	0.6
84.04490	0.5
84.08125	0.8
85.02892	2.5
86.09691	1.3
91.05479	2.3
93.07013	0.7
95.04955	1.1
95.08575	0.4
97.02872	0.8
98.21438	0.6
98.97556	0.3
99.04452	0.4
103.05470	3.6
105.03386	0.3
105.07034	4.2
105.29965	0.3
106.04147	1.1
107.04273	0.5
107.04960	5.5
109.02863	0.4
112.44936	0.3
115.05438	1.4
117.07012	1.1
119.04910	0.5
120.08086	0.4
121.06510	1.6
123.04419	4.4
123.08044	0.6
124.05207	2.1
125.05970	0.6
127.03890	0.6
129.06993	0.9
129.10216	0.4
131.04915	6.3
131.08545	0.8
132.05652	0.5
133.06490	5.0
134.03587	0.4
135.04410	0.4
135.08052	1.2
136.07530	0.3
137.05971	2.6
139.07559	0.5
141.06953	0.6
143.04817	0.4
144.05655	0.7
145.05086	0.3
145.06479	2.3
147.04395	1.2
147.08066	0.7
149.05957	0.6
151.03908	1.1
151.07541	3.1
152.04710	1.8
153.05457	0.5
157.06506	0.4
158.07246	0.9
159.08035	1.3
161.05962	5.6
162.07530	0.4
163.03908	0.4
163.07538	11.9
165.05562	0.3
165.09151	0.5
167.07028	100.0
168.07428	0.8
172.05209	0.4
173.05948	1.1
173.09575	1.4
175.07562	2.0
177.09120	2.9
178.06209	0.3
179.07031	3.5
180.08652	0.7
181.08557	4.3
181.10028	0.5
182.98242	0.3
187.07539	3.2
189.05336	0.3
189.09061	0.7
191.07117	0.4
192.07819	0.5
193.04935	2.0
193.08589	15.3
195.08452	0.3
195.10164	0.4
199.05211	0.3
201.09082	2.1
203.08603	0.4
205.08498	1.4
207.10234	0.8
217.08618	0.5
219.10056	2.1
221.11624	0.6
231.07999	0.4
233.11707	3.2
237.11229	2.3
249.09209	0.4
251.12746	1.7
259.07553	0.3
263.10739	0.8
277.49365	0.3
280.10638	0.3
291.10104	1.0
295.13245	0.6
323.12796	1.9
355.15384	12.3
355.19891	0.6
387.18005	12.4
405.19058	23.1
423.20456	0.6
602.21924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.2
55.01874	2.5
55.05511	25.5
57.01880	2.4
57.07088	13.5
59.05005	5.2
65.03929	6.9
67.05505	39.3
69.03426	15.1
69.07070	27.2
69.31477	22.4
71.04996	4.2
71.08616	2.8
77.03915	3.1
79.05494	37.6
81.07056	52.2
83.04981	22.4
83.08632	12.4
85.06528	9.2
85.10186	4.1
87.04459	5.7
89.06037	14.5
89.78323	2.0
91.05483	65.2
93.07048	89.7
95.04971	30.8
95.08602	49.0
97.06532	16.0
97.10126	2.8
98.21513	4.8
100.54604	2.2
103.05450	4.9
104.56059	2.3
105.07028	100.0
107.04939	3.5
107.08592	82.5
109.06532	18.5
109.10149	34.2
111.04444	2.4
111.08071	7.4
111.11703	3.6
113.09646	6.3
115.05470	8.3
116.06242	4.6
117.07021	24.6
119.08588	99.9
121.06503	13.9
121.10139	93.6
121.11031	4.5
123.08084	14.6
123.11697	10.6
125.09634	15.3
128.06198	13.2
129.07008	18.7
130.07765	9.6
131.08565	50.0
133.06499	6.0
133.08577	7.9
133.10138	69.4
133.59860	2.3
135.08066	15.2
135.11674	25.2
137.09610	8.3
139.11168	6.4
141.06987	8.9
142.07790	24.2
143.08577	44.2
144.09378	11.4
145.06454	4.3
145.10126	81.3
146.07263	3.2
146.72231	2.5
147.08057	13.0
147.11690	28.4
149.09647	20.2
149.13277	3.5
151.07544	4.9
151.11154	5.5
152.06212	2.5
153.06992	3.2
154.07806	4.5
155.08563	19.1
155.10651	5.6
156.09370	19.0
157.10133	58.8
158.07333	2.4
158.10811	9.2
159.08049	19.5
159.11688	40.5
160.12314	2.6
161.09619	13.0
161.13252	9.6
163.11200	9.7
165.07002	6.4
165.09137	8.7
166.07764	3.6
167.08612	11.1
167.10687	67.3
168.09344	6.6
169.10143	33.4
170.10896	8.6
171.11702	43.4
172.12454	4.5
173.09593	6.6
173.13232	29.1
175.11211	10.6
175.14819	20.6
177.11330	3.1
178.07915	2.8
179.08540	11.4
180.09331	6.8
181.10097	18.1
181.12236	6.2
182.10941	10.4
183.11714	25.6
185.09601	5.3
185.13254	19.6
187.11156	9.3
187.14857	12.8
189.12698	8.4
191.14348	5.7
192.09308	3.6
193.10124	12.4
194.10880	10.0
195.11685	24.3
196.12428	8.6
197.13266	26.1
199.11208	5.3
199.14819	20.0
201.12729	7.9
201.16405	8.2
203.14279	6.7
205.10162	3.0
205.15906	2.5
206.10893	6.5
207.11674	18.5
207.13576	4.1
208.12407	7.7
209.13268	28.9
209.15132	4.0
210.13907	4.8
211.11302	3.9
211.14809	18.1
213.12759	4.3
213.16408	3.3
215.14331	6.3
217.15833	5.2
219.11690	5.7
220.12457	7.0
221.13298	13.6
221.15401	20.7
222.13982	3.5
223.14795	18.8
225.12827	4.1
225.16370	12.8
227.14244	5.2
231.11549	3.2
232.12366	4.0
233.13202	7.4
233.15392	32.1
235.14772	11.9
237.16461	8.1
239.17972	4.5
241.19359	2.6
243.11493	3.1
244.12328	3.2
245.13217	5.1
246.13951	2.8
247.14789	6.8
249.16418	6.0
251.14523	2.4
251.17932	5.3
253.19595	4.0
255.17415	4.5
257.19052	3.4
258.14026	4.1
259.14731	5.5
261.16388	7.5
263.18118	5.5
265.19516	6.7
267.17572	3.6
269.19028	10.1
273.16135	4.6
273.18701	3.1
275.17868	5.4
277.19461	3.0
281.19022	9.6
287.20157	6.0
289.19360	3.5
291.17349	3.0
295.20605	5.3
299.20090	6.1
349.25406	2.8
361.25204	3.2
367.26065	3.1
416.25723	2.9
425.30637	2.8
565.40076	5.4
583.41467	7.3
601.42755	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	601.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01873	2.7
55.05507	17.8
57.07061	8.5
59.04978	2.5
65.03918	4.9
67.05500	28.8
69.03427	19.2
69.07060	19.0
69.30505	2.4
69.93465	10.2
79.05489	35.8
81.07059	41.0
83.04965	15.5
83.08611	15.1
85.06561	6.2
91.05472	59.6
93.06466	5.0
93.07037	78.1
95.04958	26.8
95.08595	43.0
97.06533	16.5
103.05460	6.6
105.04501	3.7
105.07030	100.0
107.08590	86.1
107.18765	2.8
108.08960	2.6
109.06506	17.8
109.10149	37.6
111.08051	8.6
111.08763	2.8
113.09614	6.5
115.05408	7.3
116.06281	3.4
117.07007	23.0
119.08579	90.7
119.09462	5.1
121.06454	12.4
121.10133	85.2
123.08051	14.6
123.11677	12.2
125.06001	4.0
125.09601	18.0
128.06190	13.8
129.06989	20.4
130.07765	8.9
131.08566	48.2
133.06471	5.9
133.10130	56.6
135.08038	20.0
135.11707	17.7
137.09612	9.3
139.11133	8.1
141.06966	10.9
142.07761	22.8
142.31609	2.8
143.08549	43.6
144.09348	11.8
145.06442	4.7
145.10114	62.2
147.08032	10.0
147.11671	24.8
149.09607	20.7
149.13274	5.0
151.07500	4.6
151.11211	3.0
153.06999	5.0
154.07787	3.4
155.08533	19.6
155.10629	7.4
156.09302	18.8
157.10118	48.8
158.10927	5.2
159.08044	20.5
159.11693	41.2
161.09573	14.8
161.13261	7.4
163.11169	8.8
165.07005	8.8
165.09116	10.2
166.07756	2.9
167.08511	9.7
167.10670	66.5
168.09323	9.8
169.10115	32.5
170.10925	7.5
171.11703	35.0
172.12387	2.9
173.09622	8.0
173.13255	25.4
175.11176	10.1
175.14793	17.2
179.08533	11.6
180.09291	8.5
181.10136	15.8
181.12170	6.2
182.10887	11.9
183.11716	26.6
184.12328	4.6
185.09634	5.3
185.13229	18.7
187.11237	5.3
187.14827	13.1
189.12756	8.4
191.14304	5.9
192.09377	3.3
193.10110	8.4
194.10947	6.5
195.11702	24.4
196.12363	7.6
197.09517	3.1
197.13245	22.0
198.13654	2.6
199.11174	4.2
199.14769	16.6
201.12822	4.6
201.16399	6.2
203.14278	5.8
205.10112	4.6
205.15849	2.9
206.10934	5.4
207.11641	17.1
207.13635	4.5
208.12436	4.6
209.13304	24.8
209.15199	3.8
210.13794	3.2
211.11200	4.0
211.14764	18.7
213.12747	5.7
213.16383	5.9
215.14290	6.8
217.15826	3.2
218.10886	2.9
219.11707	6.0
220.12401	6.3
221.13184	12.1
221.15379	19.4
222.14027	3.9
223.14796	15.3
225.12723	4.8
225.16348	10.2
227.14290	5.3
227.17940	2.6
231.11726	5.6
233.13246	5.6
233.15361	32.6
234.16071	2.9
235.14706	11.0
236.15521	3.2
237.16386	6.9
239.14439	3.1
239.17896	4.9
241.16017	2.9
243.11684	3.2
244.12407	2.8
247.14824	8.1
249.16348	8.7
251.18047	4.1
255.17432	4.6
257.18900	6.3
259.14783	6.1
261.16367	3.6
262.17172	2.7
263.17957	5.5
265.19418	7.2
267.17392	4.1
269.18936	7.3
273.16220	3.5
275.17978	6.0
277.15720	3.6
277.19431	5.4
279.17706	2.5
281.18881	5.1
283.20547	5.4
289.19757	3.6
295.20566	5.4
299.20322	3.6
311.19977	3.3
315.21014	3.5
335.23743	2.7
361.25125	5.0
491.34894	3.7
565.39886	5.5
569.43921	2.5
583.41022	9.1
601.42310	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.0
55.01892	3.2
55.05511	18.8
57.07074	16.5
59.04987	4.8
65.03928	4.3
67.05506	36.6
69.03430	20.2
69.07063	28.3
69.28699	29.0
71.04971	2.6
75.55978	2.7
79.05495	40.3
81.03406	5.0
81.07059	57.0
82.07381	3.1
83.04977	19.2
83.08615	16.4
85.06521	5.9
87.04440	4.0
91.05476	61.3
93.07041	91.4
93.07625	5.7
95.04967	29.2
95.08607	47.1
97.06532	16.4
97.10162	4.3
103.05473	4.7
105.07027	99.1
107.08598	75.7
109.06532	19.5
109.10157	37.7
111.08067	7.2
113.09623	3.2
115.05457	7.6
116.06223	3.5
117.07005	29.1
119.04947	3.9
119.08579	100.0
121.06535	16.3
121.10139	89.3
123.08079	22.5
123.11696	9.6
125.05978	6.5
125.09631	16.6
128.06226	14.2
129.07024	19.7
130.07774	10.7
131.08571	40.8
133.06529	7.3
133.10127	71.0
133.56657	2.5
135.08041	20.8
135.11682	23.5
137.09610	16.2
139.11177	8.0
141.06970	13.1
142.07779	23.2
143.08557	46.1
144.09294	11.7
145.06464	4.1
145.10118	72.5
146.07251	3.0
146.10484	4.3
147.08049	26.1
147.11687	23.4
149.09598	20.0
149.13234	4.6
151.07532	17.6
151.11124	4.8
153.06931	5.5
154.07745	6.0
155.08540	22.5
155.10600	5.4
156.09315	20.4
157.10129	66.2
157.33560	2.6
158.10829	6.2
159.08069	11.3
159.11687	42.5
161.09642	21.6
161.13240	13.7
163.11201	17.5
165.06992	7.6
165.09113	36.4
166.07762	2.6
167.08492	7.6
167.10686	55.1
168.09285	7.7
169.10106	29.4
170.10803	7.7
171.11700	45.3
172.12372	6.3
173.09607	8.2
173.13321	19.0
175.11176	9.2
175.14832	12.5
179.08549	12.3
179.10478	3.8
180.09407	5.9
181.10141	12.5
181.12146	13.5
182.10898	8.1
183.11685	25.9
184.12215	4.2
185.09575	7.7
185.13243	23.5
187.11197	4.9
187.14786	13.5
189.12703	9.5
191.14229	8.4
192.09300	4.9
193.10161	14.5
193.11873	2.6
194.10883	7.7
194.12523	2.6
195.11674	21.9
196.12413	7.9
197.13318	24.0
198.13623	4.3
199.11163	8.1
199.14793	17.6
201.12762	7.8
201.16385	5.4
203.14290	13.9
205.10149	3.2
206.10907	6.8
207.11697	14.2
207.13800	9.5
208.12379	9.9
209.13295	32.1
209.15298	7.0
210.13966	4.7
211.11066	3.8
211.14784	18.4
212.15573	4.4
213.12718	10.2
213.16414	6.2
215.14288	6.8
217.10049	3.8
217.15901	6.6
219.11708	5.9
220.12433	5.0
221.13205	15.8
221.15367	56.4
222.13861	6.4
222.15875	5.8
223.11157	3.9
223.14825	15.7
225.12784	3.9
225.16345	10.6
227.14253	7.8
233.13217	6.8
233.15349	28.9
234.13943	4.3
234.16104	5.1
235.14806	5.7
236.15417	5.9
237.16377	10.0
239.14259	3.9
239.17958	7.1
241.15926	3.3
245.13144	5.9
246.14075	2.5
247.14812	7.8
247.17043	3.7
249.16380	9.1
250.17172	3.5
251.17970	6.4
253.15764	3.4
253.19615	4.1
255.17358	4.9
257.19089	6.2
259.14709	6.0
261.16324	6.2
263.17932	7.6
265.19452	7.7
269.19046	12.8
273.16171	5.8
273.18784	3.8
275.17770	6.1
277.19391	5.2
279.17435	2.9
281.18979	5.7
283.20563	9.1
285.18570	5.3
287.17581	4.2
287.20313	4.7
289.19476	3.4
295.20572	5.7
300.20682	3.7
301.21521	7.3
304.19733	6.0
313.21671	3.4
315.21234	3.3
317.22516	3.2
331.24167	4.1
333.22232	3.6
349.25308	5.7
352.23926	6.0
353.24377	11.2
365.24878	4.4
367.26334	5.5
375.26685	3.1
377.24808	3.4
393.27396	4.5
503.34775	4.9
521.36005	6.9
565.40137	10.3
583.41223	18.7
601.43561	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.2
55.05507	19.9
57.06147	3.8
57.07077	35.4
59.05005	6.0
61.42530	3.7
65.03947	5.6
67.05505	33.4
69.03437	16.4
69.07074	33.7
69.43964	3.9
69.44365	28.2
71.08632	23.1
72.74700	3.7
73.06554	7.1
79.05492	40.0
81.07064	53.9
83.04980	18.0
83.08627	18.5
84.81045	3.5
85.06535	7.2
85.10183	11.7
87.04471	9.9
89.06037	88.4
90.06382	11.9
91.05482	64.1
93.07047	83.8
95.04982	29.2
95.08604	37.8
97.02729	3.2
97.06519	10.9
103.05486	3.6
105.07030	90.6
107.04994	4.5
107.08601	84.5
109.06516	23.5
109.10154	34.1
111.08080	5.1
113.09602	5.6
115.05453	9.5
116.06258	6.8
117.07002	17.1
117.09135	4.5
119.08582	100.0
121.06493	9.6
121.10149	91.1
123.08073	16.4
123.11691	12.4
125.09637	14.0
128.06271	11.6
129.07028	21.3
130.07773	9.5
130.08655	4.2
131.08580	36.2
133.06500	6.4
133.08611	45.6
133.10124	57.0
134.08945	14.3
135.08066	16.6
135.11694	18.6
137.09615	11.0
137.13316	3.6
139.11227	8.0
141.06976	9.4
142.07814	20.5
143.08568	44.3
144.09372	11.7
145.06534	5.1
145.10127	80.6
147.08035	8.6
147.11690	21.0
147.65549	4.0
149.09642	20.2
149.13316	3.8
151.07545	6.7
151.11201	6.1
153.07019	4.4
154.07779	4.4
155.08522	21.7
155.10670	9.7
156.09369	14.8
156.99400	3.5
157.10135	53.6
158.10872	7.6
159.08058	21.2
159.11708	48.9
161.09641	14.7
161.13290	7.6
163.11203	15.2
165.07047	7.1
165.09125	9.9
167.08525	11.4
167.10692	65.7
168.09389	8.6
169.10159	28.8
170.10890	10.5
171.11703	39.1
173.09641	7.7
173.13290	27.8
174.13492	4.1
175.11238	11.4
175.14841	19.6
177.11238	16.2
177.12660	4.5
178.11584	5.7
179.08533	13.7
180.09352	8.5
181.10162	12.6
181.12230	7.4
182.10959	9.5
183.11682	31.0
184.12291	3.7
185.13254	17.1
187.11131	5.4
187.14847	7.8
189.12755	7.9
191.14374	12.1
192.09378	4.8
193.10144	15.7
194.10954	14.3
195.11703	24.0
196.12416	8.6
197.13300	29.8
199.11241	3.6
199.14844	13.2
201.12662	3.9
201.16336	3.9
203.14224	9.3
205.10062	3.5
206.10817	5.6
207.11725	17.4
208.12566	8.1
209.13283	24.0
210.14005	6.8
211.14801	15.8
212.15250	4.1
213.12811	4.6
213.16475	5.9
215.14345	6.0
217.15884	6.5
219.11746	4.7
221.13361	11.5
221.15453	15.8
222.14015	3.5
223.14905	19.1
223.16731	4.3
225.12831	5.8
225.16374	9.8
227.14252	4.0
229.16006	4.4
232.12364	6.8
233.13254	7.4
233.15353	43.3
235.14850	8.7
236.15512	5.3
237.16417	8.9
239.14464	5.0
239.18080	3.8
243.11824	4.1
247.14821	9.1
249.16479	7.8
251.17912	5.0
255.17590	6.2
258.13937	4.5
261.16367	7.7
263.18198	6.3
265.19452	4.7
269.19104	7.7
277.19638	4.0
281.18832	4.4
283.20493	5.2
287.20383	5.2
295.20477	3.8
299.20154	5.5
349.25342	5.1
365.24631	4.8
565.40234	8.1
583.40973	11.4
601.14679	4.8
601.42108	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	601.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33405	3.3
55.05518	8.2
57.07053	4.6
67.05491	11.9
68.50401	3.2
68.62499	3.2
69.03418	9.3
69.07049	6.2
69.46516	3.5
69.66792	11.2
69.67220	13.0
79.05478	9.2
81.07066	22.3
85.06525	5.3
91.05461	16.6
93.07044	33.3
95.04940	7.4
95.08605	22.1
105.07018	34.3
107.08594	18.2
109.06513	9.5
109.10174	7.2
117.07010	11.7
119.08566	48.9
120.08850	4.5
121.06544	4.3
121.10133	23.8
122.10460	3.7
123.08073	16.3
125.05933	4.0
129.06973	6.2
131.08563	19.4
133.10143	19.1
135.08052	14.9
135.11668	6.1
137.09604	7.9
141.06961	5.7
142.07828	5.1
143.08560	8.1
144.09277	3.7
145.10112	28.4
147.08022	26.8
147.11702	7.0
149.09595	4.1
151.07521	12.6
156.09326	7.7
157.10115	18.7
159.08087	3.7
159.11697	18.6
161.09563	6.1
163.11186	9.0
165.07004	4.8
165.09123	43.6
166.09346	3.9
168.09305	3.6
169.10066	7.3
171.11656	8.2
173.09521	3.3
173.13240	5.1
175.11205	5.7
181.10213	3.7
181.12210	16.2
183.11694	8.0
185.13246	5.0
187.11230	3.9
187.14792	4.6
191.14326	4.2
194.10927	4.6
195.11787	7.1
195.13814	4.1
197.13214	9.2
199.14864	4.6
201.12733	4.5
203.14304	20.5
207.13925	7.5
209.13289	7.9
221.13387	3.7
221.15355	100.0
222.15778	10.0
223.14778	4.3
233.15205	3.5
234.16058	4.0
235.16608	3.3
237.16371	3.6
247.16957	7.9
248.17462	3.9
263.29596	4.1
274.19312	3.9
275.19745	3.5
287.19943	4.7
299.20084	5.1
300.20642	8.2
301.21503	6.9
324.32513	3.9
353.24319	5.1
360.93185	3.7
366.25433	4.0
367.26215	8.9
387.25555	3.5
440.28934	5.1
441.29523	7.0
442.72113	3.5
491.35007	8.8
509.35834	6.7
521.35809	11.8
583.41168	11.8
601.42383	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	1.0
56.96563	23.4
61.02908	0.8
68.10136	0.9
69.03421	2.9
70.06591	5.3
71.59112	1.4
72.08151	1.7
81.03441	1.7
81.07063	1.5
84.04515	1.8
84.08137	1.0
84.96038	4.5
85.02920	2.7
86.09689	4.5
91.05515	1.0
97.02911	1.8
97.96799	1.1
98.97582	21.2
115.00706	1.2
116.98614	16.6
119.08533	0.9
120.08094	1.3
128.98636	1.5
129.10286	1.1
129.61201	0.9
131.00183	1.3
133.01790	1.8
134.99640	6.9
137.02737	1.5
137.05972	1.0
146.99644	1.6
147.03368	1.4
152.10818	0.8
155.03801	2.7
158.99721	3.2
161.01239	0.9
163.04085	1.8
169.01585	0.9
171.03317	1.4
173.04843	1.7
175.02794	1.4
177.00668	4.3
181.05310	6.9
183.03290	4.4
189.04361	1.6
195.03339	1.5
199.02782	5.6
199.06450	1.7
201.04401	3.6
207.03362	3.4
209.04797	1.9
209.08203	1.4
211.02829	1.3
213.04335	2.3
217.03812	4.4
217.09003	1.5
223.06453	1.2
225.04326	6.7
227.05917	1.2
233.08438	0.9
235.10059	1.0
237.07932	2.4
239.05911	1.2
245.08577	6.1
247.06523	4.0
249.08018	1.7
251.05804	1.5
259.10098	4.7
261.08051	3.9
263.09537	30.4
265.07489	15.3
277.08075	1.3
277.11081	6.9
279.09082	5.0
281.10593	16.0
283.08505	6.0
285.07953	1.2
286.11273	1.0
289.07593	5.3
289.10654	1.3
291.08942	1.3
293.10605	1.1
297.10022	1.3
301.11160	3.3
303.09058	6.9
305.10529	5.5
307.08533	15.8
307.11945	1.9
309.10095	1.0
319.12119	3.1
321.10059	12.3
323.11835	2.0
325.09589	11.8
331.08548	2.0
339.11435	2.9
345.10226	3.6
349.09503	8.9
352.00766	1.0
363.11188	3.1
367.10721	1.8
377.12872	1.6
391.10828	1.1
403.10660	3.7
409.11221	1.3
421.11841	2.8
439.13110	3.4
451.12912	1.8
465.14340	5.6
469.13803	72.7
483.15240	5.0
487.15649	1.2
488.79556	1.0
511.15204	2.8
541.19580	6.6
583.16858	9.2
601.18494	100.0
602.18787	1.4
609.69940	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.5
56.96559	57.7
61.02893	1.4
65.74840	1.0
67.05482	1.3
69.03422	5.4
69.07054	2.6
70.06579	8.4
71.43855	2.2
71.95269	4.3
72.08172	2.1
81.03399	4.9
81.07055	2.6
83.04990	2.0
84.08138	5.4
84.96033	14.9
85.02885	9.6
86.09710	6.7
91.05478	3.2
93.07033	3.4
95.04967	2.6
95.08606	3.9
97.02888	3.1
97.10155	1.1
98.97578	25.7
102.97063	1.8
105.07024	4.1
107.04931	1.5
107.08600	3.5
109.02859	2.3
109.10133	2.2
110.07182	2.0
115.00658	2.0
115.97834	1.4
116.98613	22.9
119.08576	5.6
119.98483	1.2
121.10145	2.1
125.09608	1.4
127.03904	3.8
127.51927	1.2
128.98569	1.7
129.02257	3.7
129.10249	1.6
129.59386	1.2
131.08562	2.5
133.01758	3.8
133.10144	2.2
134.99643	12.9
137.05922	1.6
140.00224	1.6
141.02261	1.4
145.05011	1.7
145.10150	2.5
146.99617	2.1
147.03258	14.3
149.01257	2.4
151.07497	1.6
153.00729	1.5
155.03827	1.7
157.10075	1.5
158.99631	6.6
159.03067	1.5
159.08075	1.5
162.99146	1.9
163.04062	2.1
165.04381	3.9
167.03804	4.0
167.07069	1.9
169.01714	1.7
173.04826	2.0
174.02094	1.3
175.02829	2.2
177.00703	9.3
177.05522	1.4
178.74750	1.4
183.03336	3.2
185.04889	2.0
187.02817	2.4
189.00894	1.2
189.04288	1.7
191.10834	1.6
195.03362	1.5
199.02835	2.7
201.04373	5.2
203.03821	2.0
205.03738	1.6
207.03387	1.5
207.05309	1.8
209.04749	7.6
213.04247	1.3
217.03897	2.4
219.06972	2.1
221.04846	4.0
221.08493	1.9
223.06485	2.0
225.04329	3.6
227.05923	1.5
229.03836	1.5
231.05331	1.6
233.04980	1.8
233.08496	1.9
237.07954	2.3
239.05983	2.4
239.09503	2.9
243.10600	2.0
245.08430	9.3
247.06406	3.8
249.04393	2.0
249.08121	4.1
251.05939	3.2
259.10016	8.2
261.08017	11.9
261.11710	4.6
263.09579	15.2
265.07440	7.7
275.09534	2.1
277.11047	8.1
279.08997	13.9
281.07495	2.0
281.10590	17.5
283.08578	7.2
289.07516	5.3
295.12296	1.8
297.10184	2.5
299.11694	4.6
299.20105	2.2
301.11008	6.4
303.08957	13.4
305.10632	4.9
307.08469	22.3
319.08890	1.7
319.12292	5.6
321.10120	19.5
323.11765	4.7
325.09659	12.0
331.08289	2.5
339.11224	3.8
345.09967	6.3
349.09518	17.5
363.11203	5.5
367.10733	6.7
379.10632	2.2
391.10507	2.0
397.11594	2.0
403.10626	6.5
421.11618	10.2
423.13434	2.9
439.12964	5.3
451.12823	3.1
463.12921	2.2
465.14401	10.0
469.13754	70.8
483.15149	7.1
487.15283	6.6
511.14932	15.4
541.15887	2.0
583.16821	13.3
601.18445	100.0
601.28168	4.6
602.18433	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	600.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17743	0.6
53.03931	0.9
55.01863	1.6
55.05504	4.6
57.07049	0.7
57.98792	0.8
58.99582	15.7
65.03938	1.2
67.05502	9.5
69.03415	1.3
69.07061	7.4
71.04987	1.1
71.60069	0.7
71.60431	0.6
76.02223	69.9
76.03991	2.5
78.03758	0.7
79.05487	6.6
80.05009	0.9
81.03406	3.4
81.06574	0.9
81.07049	13.2
82.07374	1.2
83.04979	2.9
83.06092	2.1
83.08635	2.6
84.04498	12.3
85.02891	1.6
85.06532	1.1
86.99042	3.2
88.02189	2.1
91.05481	7.3
91.52345	0.6
93.07033	10.7
95.04962	3.4
95.08594	8.5
96.08915	0.7
97.01107	0.8
97.06504	2.3
97.10139	1.5
99.05573	0.9
99.08061	0.7
103.05466	1.1
105.07022	9.8
106.07369	1.2
107.04918	2.9
107.08591	8.8
108.08910	0.6
109.02869	2.1
109.06510	5.3
109.10152	5.0
111.08121	0.9
114.03741	1.3
116.01670	22.3
117.07001	3.5
119.04915	0.5
119.08575	6.4
120.08903	0.6
121.06476	4.8
121.10121	6.1
123.08054	2.9
123.11703	2.6
124.11900	0.5
125.09595	1.0
127.03898	1.4
127.07520	0.6
129.06700	1.9
130.05003	5.6
131.04909	1.0
131.08554	7.2
132.08879	0.5
133.06491	1.8
133.10118	7.3
134.10352	0.6
135.08023	2.2
135.11656	2.8
137.05925	0.7
137.09647	1.0
137.13229	0.6
138.85939	0.5
142.03209	5.6
143.08557	1.6
144.01129	12.5
145.06203	1.1
145.10081	5.5
147.08028	1.6
147.11685	7.2
149.09650	2.8
149.13239	2.0
151.11186	3.3
152.11549	0.7
155.08499	1.0
157.10139	1.6
159.08002	0.7
159.11702	3.2
161.09601	2.4
161.13255	1.9
162.02196	39.3
163.11197	2.0
165.12814	1.1
170.02650	3.2
171.11606	1.0
173.09619	1.0
173.13217	2.0
175.11163	2.1
177.12750	1.1
179.04840	100.0
183.11676	0.8
185.13216	0.6
187.05307	3.3
187.11223	0.6
187.14771	0.7
189.12697	0.9
189.16330	0.7
191.14355	0.8
193.04939	0.7
193.12289	0.9
197.13132	0.9
199.14827	0.8
201.12717	0.9
203.14388	0.8
205.06499	0.6
205.12233	0.6
207.13782	2.2
215.04825	1.9
217.15854	0.6
219.13785	1.0
229.19456	0.7
233.05898	13.7
239.18021	0.8
245.05841	3.2
247.20688	1.2
257.19019	4.5
273.18524	3.9
275.20044	26.0
280.13721	0.6
290.07974	1.0
291.06400	2.6
291.19550	3.7
293.21091	21.5
299.20001	0.7
305.24817	1.1
306.25171	1.5
308.09082	32.0
315.23141	1.0
316.23389	1.9
333.24377	1.2
334.24539	2.7
351.19861	1.1
368.22583	9.0
378.20694	1.0
381.58447	0.5
431.11954	0.6
453.24063	6.3
471.25052	1.5
525.26202	3.5
559.23877	0.6
564.28772	0.8
582.28546	2.4
600.29053	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	600.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56754	0.3
53.95369	0.4
55.01869	0.9
55.05489	0.9
56.96572	0.4
57.03426	0.6
57.84689	0.4
58.90268	0.4
65.07626	0.4
67.05484	1.1
69.03400	1.8
69.07066	0.8
70.06583	4.9
71.04966	0.5
71.59207	0.6
72.08136	1.3
77.03929	0.5
77.41567	0.4
79.05473	0.9
81.03402	1.3
81.07024	0.7
83.05006	0.6
84.04495	0.9
84.08116	1.9
85.02888	3.6
85.06552	0.4
86.09707	3.2
91.05469	2.3
93.07016	0.8
95.08559	0.6
97.02885	1.2
97.06537	0.9
98.97567	0.8
99.04462	0.5
100.11230	1.1
103.05483	0.4
105.07025	1.6
107.04938	1.3
107.08574	0.8
108.08171	0.6
109.02859	0.9
109.10125	0.4
110.07154	0.6
111.04418	0.5
115.05418	1.0
116.98592	0.6
117.07007	1.1
117.78017	0.4
119.04892	0.6
119.08566	0.6
120.08089	2.5
127.03891	1.2
128.06210	1.5
129.06982	5.0
129.10196	0.9
130.06490	0.6
131.08562	5.9
133.06467	1.0
133.10091	0.6
135.04437	2.1
136.07584	0.7
137.02322	0.6
137.05904	0.6
141.06952	1.8
142.07753	0.8
143.08495	1.0
144.05696	2.1
144.49823	0.4
145.06491	2.3
146.07249	1.3
147.04404	1.2
153.07002	0.8
156.05725	0.5
157.06496	2.4
159.08047	11.1
161.05930	1.5
161.09569	2.8
163.03856	0.9
167.07030	1.8
169.07648	0.8
170.07274	2.0
171.08041	2.3
172.05183	1.0
173.06023	1.2
173.09576	0.5
174.06725	1.1
175.03932	0.4
175.07478	1.1
177.05400	0.8
181.08669	0.4
182.15367	0.8
183.15736	0.7
185.15065	0.4
187.07529	9.7
188.08284	0.5
189.05396	0.6
189.09065	3.9
191.06952	0.6
193.05069	0.5
199.07532	1.2
201.09064	0.6
203.06990	1.3
204.07785	4.5
205.08438	0.9
206.09230	0.7
207.10101	0.4
210.14914	0.9
211.15227	0.7
213.19592	0.5
216.07742	1.4
217.08624	0.5
218.09486	0.7
219.10159	1.8
221.08121	0.5
221.11688	1.4
231.10181	2.7
233.11736	1.3
234.08855	0.7
235.10770	1.1
237.02788	0.5
237.11163	0.9
249.11203	100.0
250.11505	1.0
251.12772	1.0
259.09604	0.9
263.09915	0.5
267.12305	1.9
284.09570	0.4
303.04880	1.2
304.05185	0.7
378.12796	0.8
378.27872	0.5
413.18384	0.5
420.17303	0.5
438.24637	0.8
455.18942	0.5
470.25681	0.7
568.29449	0.5
600.22314	0.7
600.31866	0.8
600.41425	0.7
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
55.05497	1.1
56.96540	0.5
57.03408	0.7
66.92255	0.4
69.03413	1.8
69.07072	0.9
70.06308	0.4
70.06590	4.6
70.32913	1.4
71.04977	0.4
72.08151	2.1
77.89921	0.5
79.05479	0.7
81.03406	1.7
81.07042	0.6
82.06568	0.4
83.08600	0.6
84.04482	1.1
84.08148	2.3
85.02894	2.5
86.09707	3.5
86.10133	0.6
91.03944	0.4
91.05478	2.1
93.07030	0.8
95.04963	0.8
95.08566	0.7
97.02876	1.6
97.06528	0.7
98.97532	0.7
100.11240	1.3
105.03329	0.4
105.07036	1.2
107.04932	1.2
109.02901	0.6
110.07158	0.8
111.04426	0.4
115.05430	0.9
116.06253	0.5
117.07008	1.4
119.08564	0.5
120.08083	2.2
121.02882	0.4
121.06482	0.8
127.03965	0.9
128.06218	1.8
128.07056	0.7
129.06978	4.7
129.10229	1.1
131.08565	5.7
132.08093	0.5
133.06493	0.5
133.10097	0.9
135.04414	1.6
136.07542	0.9
137.05991	1.1
140.07071	0.6
141.07005	1.4
142.07674	0.5
143.08551	1.7
144.05710	2.5
145.06476	1.6
146.07251	0.8
147.04404	1.2
149.09532	0.6
153.06992	0.4
156.05661	0.5
157.06487	3.4
158.07251	0.5
159.08058	10.0
159.09387	0.6
161.05965	1.2
161.09596	3.1
163.03920	0.8
164.07030	0.4
166.08672	0.7
167.07043	1.9
169.07648	1.0
170.07274	1.9
171.08073	2.3
172.05202	0.5
173.05951	0.7
174.06831	0.8
175.07524	1.4
177.05515	0.8
178.06198	0.5
181.04948	0.5
182.15250	0.6
183.15694	0.5
187.07516	7.6
189.05557	0.7
189.09081	4.5
191.07001	0.8
193.08408	0.5
199.07500	0.7
201.09058	0.6
203.07047	1.6
204.07802	5.5
205.08633	0.7
206.09445	0.9
207.10081	0.5
210.14882	0.8
211.15021	0.7
216.07838	1.5
217.08530	0.5
218.09425	0.8
219.10164	2.9
221.11642	2.3
231.10143	2.9
233.11794	1.0
234.08968	0.5
240.83154	0.4
249.11217	100.0
250.11485	1.2
251.12730	1.3
259.09531	0.6
267.12408	2.5
283.61591	0.4
303.04871	1.5
304.82919	0.4
317.06488	0.5
420.17120	0.6
438.24744	0.6
582.40497	0.6
591.05676	0.5
599.41754	0.6
600.42139	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3343
Annotation	Gambogin
Peak:m/z	Relative Intensity
51.40963	2.6
62.94785	2.6
71.60645	2.8
71.61031	4.0
79.05482	3.6
81.07066	4.3
109.56022	2.6
119.08625	3.0
145.10139	3.4
202.70963	2.9
221.15392	4.5
233.28854	3.9
265.08423	5.2
504.05106	3.3
599.33441	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4089
Annotation	4,4'-Dihydroxydiatoxanthin
Peak:m/z	Relative Intensity
53.03938	2.3
55.05508	8.6
57.07066	4.5
59.04991	1.9
65.03934	4.2
67.05495	16.4
69.03426	8.5
69.07061	14.4
70.44079	3.1
70.44486	3.8
74.05045	1.6
75.82571	1.8
79.05486	17.1
81.07059	23.0
83.04977	6.6
83.08613	6.1
84.56280	1.5
85.06529	3.7
91.05469	18.6
91.41830	1.7
93.07042	39.6
95.04960	12.1
95.08598	24.1
97.06509	4.3
103.05443	2.2
105.07023	38.8
107.04992	1.9
107.08586	27.5
109.06499	9.8
109.10155	15.8
111.08083	2.0
111.11734	2.0
113.09688	2.2
115.05500	3.0
117.07014	9.6
119.08568	34.5
121.06511	7.9
121.10144	55.4
123.08038	15.5
123.11700	9.1
125.09654	4.1
128.06238	5.1
129.07013	6.2
130.07814	3.9
131.08568	20.3
133.06493	6.4
133.10130	26.9
135.08049	8.7
135.11671	8.7
137.09633	5.7
139.11189	4.3
141.06966	3.7
142.07806	10.0
143.08539	15.8
144.09351	5.4
145.06454	2.7
145.10118	24.8
147.08017	9.5
147.11754	8.8
149.09601	15.2
151.07533	20.8
151.11142	1.7
153.06996	2.0
154.07724	2.1
155.08603	7.1
156.09349	7.3
157.10115	23.3
157.11304	2.4
158.10844	2.7
159.08075	6.2
159.11662	13.9
161.09624	6.6
161.13252	6.4
163.11192	3.7
165.07024	3.4
165.09088	12.2
167.10670	83.8
169.10062	11.0
170.10959	3.6
171.08156	2.3
171.11732	14.3
172.08827	2.2
172.12468	3.2
173.09598	2.8
173.13237	13.2
175.11211	2.9
175.14854	4.3
177.09181	2.6
177.12909	1.8
179.08588	4.8
179.10904	2.0
180.09389	3.3
181.10129	6.2
181.12228	6.7
182.10902	4.5
183.11722	12.9
185.09680	3.6
185.13293	7.1
187.11179	6.5
187.14723	9.2
189.12740	9.9
191.14398	3.2
193.10193	5.1
194.10936	3.9
195.11641	8.4
196.12451	3.9
197.13258	10.3
199.11165	2.8
199.14854	5.8
201.12857	2.0
201.16466	2.4
203.14343	7.7
205.15872	2.9
206.11011	1.8
207.11711	8.6
207.13831	8.2
208.12447	2.5
209.13295	8.3
209.15245	2.5
210.10327	3.0
211.11189	2.9
211.14824	6.6
213.12823	2.6
213.16434	3.7
215.14333	7.4
217.10147	1.9
217.15936	2.7
219.11716	4.1
219.13731	2.1
220.12408	3.3
221.13263	5.3
221.15288	28.9
222.13930	2.8
223.14883	5.1
225.12878	3.4
225.16423	3.5
233.13261	4.6
233.15344	32.7
235.14862	6.2
237.12769	2.2
237.16475	4.6
241.15927	3.4
245.13371	2.2
247.14815	3.5
247.17085	4.1
249.16583	3.9
251.17952	2.3
253.12347	2.0
257.19135	3.6
259.14825	3.3
259.20761	1.9
261.16373	3.2
263.17908	2.7
277.19522	2.7
281.19116	1.9
283.20502	3.1
287.20239	3.9
299.20349	4.1
365.24911	3.2
373.25137	2.7
377.24701	4.1
391.26266	4.3
393.24301	2.2
431.29410	2.4
443.29553	1.9
571.41376	3.4
581.39880	23.2
599.40930	100.0
600.41724	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	598.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.6
57.06821	2.6
57.07071	32.1
60.17101	1.5
60.75134	1.7
69.07050	4.7
71.08625	32.0
73.06550	9.7
83.08597	5.3
85.10175	19.3
87.04452	5.5
89.06027	100.0
97.10153	4.5
99.11721	2.8
103.49722	2.1
107.07025	5.2
111.11705	3.9
117.09117	6.4
127.14828	2.2
130.08620	3.7
133.08591	58.2
135.10185	2.0
177.11206	23.9
209.56465	1.7
211.24181	2.7
221.13681	1.9
255.26787	2.0
274.79633	2.1
283.17770	2.2
299.29443	6.2
327.20062	3.2
343.31985	3.2
371.22662	5.9
509.60126	1.7
531.67688	1.9
581.46533	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	599.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01863	1.5
57.03426	1.4
65.03928	0.5
69.03436	1.5
69.07053	0.8
70.06593	4.6
70.25716	2.4
72.08138	1.2
79.05480	2.1
81.03403	2.1
81.07049	1.0
84.04498	1.0
84.08127	1.6
85.02910	4.8
86.09699	2.2
91.05458	1.9
93.07059	1.1
95.04962	1.9
97.02902	1.1
99.04478	0.8
99.57309	0.5
102.05574	0.6
103.03976	0.6
103.05434	0.5
105.07008	1.1
107.04948	100.0
107.08569	1.0
108.05298	0.6
108.08121	0.5
109.02858	0.9
109.10175	0.6
110.07114	0.8
117.07000	2.4
119.04973	0.6
119.31356	0.5
120.08067	1.1
121.02877	2.1
121.06545	0.6
127.03915	1.2
129.10246	0.9
131.04926	1.2
131.08568	0.8
133.06497	0.6
133.10088	0.8
135.04384	0.7
136.07564	1.4
139.03894	1.0
145.04973	0.6
145.06396	0.5
147.04430	1.6
149.06001	1.0
151.03888	1.9
154.08517	0.5
157.02754	0.5
157.06696	0.5
159.11688	0.7
161.05994	0.9
163.03909	2.4
164.06960	1.0
165.05386	0.7
167.06993	0.9
173.06056	1.3
175.03825	3.2
177.05455	2.5
180.41307	0.5
181.04971	2.5
185.05946	0.8
187.03909	2.3
189.05453	2.6
191.03455	1.1
193.05003	2.8
201.05489	0.9
203.03304	0.5
205.04971	4.4
207.06514	1.0
213.05418	1.1
217.04967	5.2
219.06609	2.0
221.04433	1.2
223.05969	1.3
229.05031	2.0
231.06610	1.2
235.05882	3.4
241.04942	1.3
243.06573	0.8
245.08197	0.8
247.05927	4.8
249.11305	0.7
253.04854	0.9
255.06581	0.7
259.06049	7.3
271.06024	3.3
273.07648	1.9
277.07083	1.8
279.06406	0.7
283.06082	2.5
285.07678	1.4
289.06976	2.0
297.07480	0.9
299.09012	1.6
301.07126	3.5
311.09238	1.3
313.07040	3.3
319.08145	0.9
325.06998	2.0
329.10266	3.6
341.10150	4.1
343.08463	1.1
353.10251	6.7
355.08121	0.9
365.10205	4.7
377.10214	1.0
383.11188	6.3
389.10022	1.3
395.11227	7.3
401.12369	0.7
407.11212	7.6
413.12485	2.7
419.11066	5.2
425.12259	3.2
431.13504	9.2
437.11786	0.7
443.13361	2.5
449.12369	5.6
452.22906	0.8
461.12396	3.8
467.13376	2.9
469.25598	1.5
473.12109	0.7
479.13333	3.5
485.14355	2.4
491.13257	1.4
497.14450	5.7
509.14377	2.9
527.15472	1.9
545.16620	1.7
567.29108	1.1
599.13849	3.2
599.22351	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.5
55.01863	4.2
55.05505	5.6
56.05025	1.4
57.03430	4.4
61.02918	4.7
65.03941	1.8
67.05515	4.6
68.99766	1.1
69.03066	1.6
69.03426	20.0
69.07060	4.9
70.06587	6.2
71.04979	3.7
71.14996	2.1
72.08152	2.0
73.02905	2.5
75.19833	0.8
79.05492	13.3
81.03416	12.4
81.07063	8.4
83.04971	3.7
84.04501	1.8
84.08133	3.5
85.02903	57.3
86.09698	3.5
87.00828	16.5
87.04469	1.8
91.03933	1.0
91.05473	16.3
93.07041	73.9
95.04964	7.2
95.08608	14.4
97.02888	21.3
97.06527	2.6
98.97617	1.0
99.04441	5.2
103.03922	1.1
103.05482	1.0
105.01169	2.0
105.01865	31.9
105.04498	0.9
105.07039	7.0
105.07628	1.4
107.04957	1.6
107.08591	100.0
109.02877	14.2
109.06516	4.9
109.10136	3.1
110.07159	1.4
115.03926	1.5
115.05369	1.2
117.01840	1.1
117.03424	1.0
119.06050	1.0
119.08581	5.1
121.10116	2.5
123.04407	2.4
127.03916	33.1
129.01834	1.8
129.10184	1.5
131.08493	1.2
133.10049	0.9
135.11685	84.6
137.05965	2.0
137.13240	1.6
145.02806	1.5
145.03886	1.6
145.04950	17.3
145.10086	1.2
146.04509	1.2
147.11659	1.6
150.25035	0.9
151.07512	1.3
153.12747	14.4
159.02846	4.3
159.07965	0.9
159.11671	1.9
163.03944	1.2
163.07230	0.9
165.12808	1.5
167.07008	2.6
171.03035	1.0
177.05441	1.8
177.12700	1.1
181.04964	1.7
189.03905	1.5
213.03888	2.4
231.04979	13.0
241.02119	1.1
243.13805	2.0
249.06055	7.8
261.14893	1.1
279.16180	1.1
332.20624	1.1
365.15909	1.0
383.17136	1.7
417.15234	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86347	1.6
56.05027	1.9
57.03425	2.4
60.04533	4.7
66.46279	1.7
67.05493	2.2
69.03432	3.7
69.92991	10.0
70.06596	15.0
71.69524	1.6
72.08147	4.1
74.06071	1.9
79.05496	5.2
81.03408	15.1
81.07057	3.5
84.04509	3.9
84.08131	9.8
85.02896	14.5
86.09698	17.3
91.05468	6.3
93.07037	2.1
93.75866	1.6
94.77766	1.5
95.04944	1.7
96.08069	1.9
97.01534	1.6
97.02898	4.1
98.97538	1.6
103.05473	2.5
105.07024	2.5
107.04959	6.9
107.21848	1.5
109.02877	1.7
111.64188	1.6
115.05488	8.2
115.08753	2.0
117.07015	14.7
119.04907	1.8
123.04408	3.3
124.05270	2.5
127.03883	4.0
129.06989	1.9
129.10243	5.9
130.06541	1.9
131.04897	4.9
133.06482	2.2
135.11717	2.2
136.07555	2.5
137.05957	3.2
144.05669	2.5
145.05144	3.2
145.06485	32.8
147.04366	2.5
155.06009	2.8
156.05728	5.7
159.08051	7.2
159.09192	2.8
161.05949	7.8
161.42929	1.9
163.03900	2.3
167.07033	51.2
167.08403	3.1
173.05986	55.7
180.08707	3.0
184.05238	2.3
187.07556	6.9
190.06218	30.8
191.06976	4.1
192.07814	2.7
193.08580	5.9
202.06290	5.3
203.07013	6.4
205.08589	100.0
207.06578	2.3
215.07021	1.7
217.08569	36.2
217.10603	2.2
219.10161	3.6
223.09641	2.8
235.09618	31.8
240.86902	1.8
243.67371	1.6
247.09639	8.7
265.10703	30.0
271.09555	2.3
287.05368	1.9
295.23538	1.9
315.08594	5.1
325.10599	1.7
330.10995	6.6
331.11752	5.0
351.12271	5.1
371.14896	3.2
383.14957	12.0
401.15900	9.8
505.38620	2.0
598.33905	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	597.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	5.5
57.07075	55.0
59.53487	1.5
62.31300	1.4
67.05490	3.9
69.07072	7.7
71.08628	49.2
71.60585	1.9
71.61295	1.6
73.06548	7.3
75.13206	1.5
79.05495	2.2
81.07061	3.4
83.08588	4.7
85.10182	34.5
87.04474	7.7
89.06026	100.0
93.07052	2.8
95.04969	2.1
95.08591	2.1
97.10178	2.8
99.11728	3.7
105.07016	6.6
106.07372	1.6
107.07052	4.9
111.11713	5.6
112.84343	1.5
113.13277	3.9
117.09110	5.4
119.08640	2.0
121.10127	2.1
121.21003	1.6
126.05948	1.8
130.08600	4.2
131.07094	2.2
133.08594	52.7
135.99387	1.7
145.10162	1.5
177.11209	13.0
268.53271	1.6
277.21738	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3032
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03923	1.6
55.05507	11.8
57.03438	6.2
57.07061	2.2
65.03922	1.7
65.62544	1.1
67.05176	1.7
67.05505	25.6
69.03428	1.8
69.07065	14.8
70.14126	3.1
71.04984	1.1
75.04961	1.0
75.43938	0.9
77.03947	0.9
79.05486	11.1
81.03412	8.8
81.07057	30.1
83.04972	1.5
83.08620	7.5
85.02885	1.3
91.05463	6.5
92.33083	0.9
93.07028	9.1
95.04977	1.3
95.08600	19.4
96.73860	0.9
97.06534	2.5
97.10148	3.8
98.21458	1.4
98.98462	23.0
99.04454	1.4
101.23206	1.0
105.07011	5.5
107.08572	4.9
109.02867	8.9
109.10149	10.4
109.92105	1.0
112.15095	1.0
119.08551	3.9
121.10109	4.4
123.08076	0.9
123.11695	3.9
127.03924	2.5
131.08501	1.4
133.10104	4.4
135.11658	1.5
135.38866	1.1
137.13268	1.4
141.28697	1.0
147.11638	3.0
149.13239	1.9
155.01007	3.6
161.13235	1.4
163.06007	2.2
163.14789	1.1
167.10614	1.6
175.14798	1.6
198.45117	0.9
225.12805	1.3
233.15295	1.9
245.22444	1.2
261.03644	5.8
263.23691	3.1
322.65149	1.0
335.07321	3.1
337.27344	100.0
425.16040	1.3
569.20679	1.7
597.19507	2.8
597.39935	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	596.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.6
55.05499	15.8
57.03432	6.7
57.07063	2.4
65.03925	3.0
66.36544	2.4
67.05498	74.7
69.07060	10.9
71.04986	20.0
79.05498	35.4
81.07053	87.7
83.04972	4.3
83.08614	7.1
85.06546	9.3
91.05468	24.6
92.10233	2.4
93.07034	37.0
95.04966	4.4
95.08604	26.7
97.06541	5.2
98.21534	4.1
99.08039	2.5
105.04514	2.5
105.07028	15.3
107.08587	19.0
109.10145	11.9
117.07041	3.0
119.08556	10.4
121.10162	14.5
123.11706	11.6
131.08540	5.9
133.10144	17.8
135.11705	8.9
145.10124	3.4
147.11696	3.9
147.15817	2.4
149.13245	6.0
151.11143	6.4
159.11731	5.8
161.13211	4.5
269.17426	4.2
301.19965	14.1
335.25775	42.8
503.37280	100.0
517.38824	7.4
529.39203	2.7
561.41412	40.8
566.04700	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	597.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46346	3.8
55.01870	8.5
56.96552	6.1
57.03470	4.4
60.04526	4.5
65.03922	6.4
67.01900	4.7
69.03424	12.9
69.27686	47.2
70.06581	17.5
71.04988	6.5
71.61752	4.2
72.21220	3.8
74.40385	4.0
74.72195	3.6
75.55588	4.0
79.05490	10.4
81.03410	14.8
85.02903	30.7
86.09711	9.1
91.05475	9.0
93.03379	10.8
95.04968	9.2
95.95161	4.5
96.04456	6.7
97.02882	17.8
98.97598	6.1
105.07012	5.5
107.04933	38.1
109.02851	17.3
111.00807	5.7
111.04443	7.7
117.06998	4.5
119.04916	6.2
121.02868	19.8
121.06503	7.0
123.04443	14.7
125.05932	4.9
127.03922	9.6
131.04893	6.5
133.06512	9.3
135.04408	20.3
135.05330	4.4
139.03812	5.0
145.06491	7.7
146.04497	10.3
147.04411	30.1
149.02332	5.8
149.05960	9.6
151.03918	7.8
153.01817	6.2
159.04370	9.0
161.05977	15.9
163.03896	31.0
163.07188	5.2
165.01869	9.1
167.07008	34.0
173.05992	11.2
175.00249	5.8
177.01872	11.2
177.05452	15.3
180.07828	4.4
181.04942	38.6
185.05902	5.9
187.03937	11.8
189.01862	17.7
191.03416	19.2
193.04973	4.5
195.02907	38.3
201.05487	15.9
203.03488	7.8
207.02853	42.5
215.03401	10.7
219.02899	79.9
221.04558	7.5
222.82100	4.9
223.02353	18.7
225.03868	26.9
229.05019	13.7
231.02882	38.1
233.04521	23.5
233.08026	22.7
237.04015	22.4
242.43329	4.6
243.02826	23.8
245.04445	11.1
247.05835	6.1
249.03941	26.7
257.04501	14.1
261.03949	100.0
269.04233	7.8
271.05954	4.9
273.03909	33.1
275.05710	5.7
285.03915	50.9
291.04956	26.0
297.04034	14.6
297.07379	9.2
299.05499	10.2
303.05014	37.5
309.03897	8.9
309.07654	8.7
315.04959	11.2
321.06052	16.3
327.04965	43.5
327.08618	22.1
339.08221	34.4
345.06049	10.7
351.08597	16.1
357.05798	6.8
357.09708	7.3
359.65668	5.4
363.07123	29.2
375.07617	6.0
381.09573	26.0
387.07086	15.3
393.09390	29.7
394.85120	6.1
405.08575	31.1
405.14246	7.4
411.10715	12.0
417.10114	7.6
417.15402	20.7
423.09998	22.1
429.11993	22.9
441.11136	26.8
447.02179	4.5
447.10104	20.4
459.13092	20.8
465.11905	12.0
477.11646	7.3
483.12912	12.8
495.12665	10.9
507.12442	5.3
525.13782	7.7
543.15143	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	595.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36108	2.4
53.72005	2.6
55.05497	10.0
57.03428	10.0
67.05502	31.2
69.07049	5.8
69.80222	16.8
79.05503	16.7
81.03407	10.5
81.07060	30.3
85.02903	4.3
91.05463	9.4
93.07017	15.9
95.08615	23.8
98.98465	25.9
105.07015	7.0
105.94320	2.4
107.08596	12.7
109.02866	8.8
109.10130	8.3
117.07003	3.5
119.08589	6.4
121.10123	9.3
130.05121	2.6
131.08580	4.4
133.10130	3.2
135.11700	4.7
145.10080	4.3
147.11618	3.0
149.13205	4.3
199.59026	2.8
261.03751	9.1
261.22290	4.0
271.88718	2.8
317.24792	3.9
335.07251	4.8
335.25772	100.0
423.49738	2.7
511.50809	2.7
563.24286	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	596.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01868	3.4
55.05513	15.2
56.96556	1.7
57.03428	3.6
57.07072	3.1
61.02927	1.8
67.05498	11.0
68.99781	1.7
69.03423	10.4
69.07067	24.6
69.51601	1.2
70.06575	5.3
70.99827	2.3
71.00156	1.7
71.04987	2.2
72.08127	1.8
79.05478	3.7
81.03436	8.9
81.07049	18.5
83.04978	3.8
83.08610	4.1
85.02908	15.6
85.06527	1.9
86.09718	2.6
87.00807	8.6
91.05476	5.2
93.07053	9.1
95.04986	2.3
95.08604	17.0
97.02882	5.3
97.06526	5.8
97.10169	28.7
98.09677	2.9
99.04476	2.7
105.01883	3.8
105.07018	4.9
107.04951	4.1
107.08598	5.3
109.02875	6.3
109.06484	1.8
109.10155	21.1
111.11710	5.8
113.09630	9.3
117.07024	2.2
119.08562	5.3
120.08104	1.5
121.10162	6.2
123.04406	1.9
123.08033	1.7
123.11691	6.3
125.09615	6.4
127.03875	8.0
131.08574	2.6
133.10129	5.5
135.11681	4.2
136.65639	1.2
137.05954	3.2
137.09593	7.7
139.11174	27.8
143.10652	5.7
145.04941	3.7
145.10188	1.8
147.11687	2.2
149.13251	1.8
151.07532	1.6
151.11249	2.9
153.12758	2.1
155.10727	1.9
157.12238	4.1
159.02914	3.1
161.06009	1.9
161.13268	2.0
163.03902	3.3
163.14893	1.4
165.05457	1.3
165.09082	3.3
167.07040	11.3
168.07289	2.8
179.14336	2.1
181.04956	4.0
181.12253	1.5
182.05336	1.2
189.11212	3.9
189.16393	1.9
191.06990	2.2
203.12767	2.5
203.18060	1.5
207.17326	1.5
231.21072	3.0
241.19536	1.6
249.22203	3.7
259.20578	3.4
276.91547	1.5
277.21606	28.3
295.22675	100.0
313.23691	17.6
331.24875	6.5
349.16589	1.7
560.35541	4.5
596.22144	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	595.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.8
55.05509	8.4
56.97101	0.8
57.03431	7.3
57.07048	1.4
65.03936	0.9
67.05502	29.1
69.03411	1.6
69.07065	6.9
71.04991	1.3
71.60302	0.8
74.72761	0.8
79.05488	15.3
79.05930	0.7
81.03410	10.2
81.06572	1.6
81.07056	30.9
83.04951	1.3
83.08609	2.9
85.02887	2.7
91.05472	8.6
91.29285	0.8
92.42082	0.8
93.06121	0.9
93.07040	18.0
95.04985	1.7
95.08603	23.4
97.06517	1.5
98.98457	25.8
99.04465	1.7
105.07036	6.8
107.08583	11.0
109.02864	8.7
109.10148	7.6
117.07005	1.2
119.08553	5.0
121.10143	6.7
123.08009	1.0
123.11670	3.7
127.03907	1.8
131.08534	3.6
133.10143	4.4
133.37692	0.9
135.11681	4.3
145.10138	1.8
147.11659	3.0
149.13306	2.7
155.01031	3.3
159.11644	1.3
161.13226	1.9
163.05997	2.4
163.14876	1.0
173.02164	1.7
173.13226	2.0
179.91365	0.8
187.14821	1.0
243.21066	1.7
261.03687	8.4
261.22180	4.2
317.24747	1.7
335.07455	2.2
335.25790	100.0
336.26068	1.1
430.11887	1.0
440.95929	0.9
572.53113	1.1
595.34387	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1655
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03933	0.4
55.01878	0.3
55.05482	0.4
56.05030	0.4
57.03422	1.1
57.99696	0.3
60.04509	0.5
61.02913	1.4
61.59313	0.3
67.05495	0.6
68.15667	0.4
69.03423	0.8
69.07069	0.3
70.06583	3.0
70.22736	0.3
70.85342	0.6
70.85695	0.3
71.04989	7.4
72.08150	0.6
73.02898	0.9
75.04476	0.4
79.05476	1.0
81.03389	0.9
83.04954	1.0
84.04526	0.7
84.08131	1.5
85.02901	9.0
86.09720	1.6
87.04456	0.5
91.03940	0.4
91.05474	0.5
93.36068	0.3
95.04983	0.4
95.08582	0.4
97.02866	0.8
99.04424	0.4
103.28469	0.3
107.04930	0.9
107.08559	0.5
109.02790	0.3
110.07190	0.5
111.00758	0.4
111.04428	0.5
120.08047	0.5
120.95489	0.3
121.02859	1.8
121.13202	0.3
127.03939	1.0
129.05492	2.0
129.10205	0.9
135.04420	0.7
136.07571	0.5
137.05884	0.4
145.04970	0.5
147.04382	0.5
147.06540	0.6
153.01825	3.5
163.03862	0.4
165.01772	0.8
167.07059	1.6
181.04959	1.1
183.02858	0.4
189.78207	0.3
213.05479	0.8
231.06648	0.5
233.08035	0.3
241.05078	0.6
258.05408	0.6
271.05896	0.7
287.05484	100.0
288.05969	0.9
400.70053	0.3
415.13800	0.9
449.11392	0.5
595.20349	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1659
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03934	0.4
55.01854	0.4
55.05498	0.4
57.03442	1.8
58.99593	0.4
59.05002	0.3
60.04522	1.5
61.02910	0.9
67.05490	0.6
69.03418	2.0
69.07065	0.4
69.43536	2.6
70.06590	2.5
71.04993	11.0
72.08145	0.8
73.02883	0.4
75.04449	0.6
79.05463	0.8
81.03410	1.2
81.07047	0.6
83.04980	0.8
84.04501	0.6
84.08120	1.1
85.02903	15.4
86.09691	1.0
87.04425	0.4
91.03948	0.3
91.05486	0.8
93.07019	0.4
95.04959	0.6
95.08644	0.4
97.02881	2.0
99.04501	0.4
102.05549	0.4
103.03931	0.4
105.07014	0.4
107.04954	1.0
107.08586	0.3
109.02853	0.8
110.07159	0.3
111.00778	0.4
116.07042	0.3
119.08530	0.3
120.08064	0.6
121.02858	2.1
123.04414	0.3
124.07574	0.3
127.03938	1.8
129.05475	3.8
129.10237	0.6
131.04887	0.4
131.08664	0.3
133.02863	0.6
135.04462	0.4
136.07555	0.4
137.02332	0.7
137.05981	0.9
145.04875	0.5
147.04416	0.8
147.06543	0.8
149.05960	0.4
151.03911	0.9
153.01830	2.6
157.06454	0.4
165.01833	1.2
166.08612	0.4
167.06987	1.2
179.04805	0.4
181.04889	2.1
183.02853	0.7
201.05592	0.3
213.05409	1.2
231.06485	0.5
233.08209	0.4
241.04881	0.7
249.11571	0.4
258.05057	0.7
287.05487	100.0
288.05823	0.8
299.05334	0.4
303.04916	0.6
369.13675	0.4
415.13898	0.6
416.14587	1.0
448.21786	0.9
449.11368	0.3
595.21002	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1656
Annotation	6,8-Di-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
61.02934	3.2
62.62106	1.8
63.27129	1.9
65.03939	2.5
67.28385	1.7
70.84908	4.9
70.85259	2.2
85.02913	10.4
90.83393	1.9
91.05460	2.7
95.04985	2.3
107.04928	3.1
111.04441	1.9
119.04947	9.2
121.02863	32.9
131.04861	1.9
145.02829	3.6
163.03929	3.0
165.01921	2.1
175.03922	2.2
179.03323	2.5
189.01834	8.2
189.05508	2.9
191.03389	5.3
195.02896	8.6
203.03378	11.8
205.04846	2.9
207.02881	9.1
215.03374	2.8
217.04977	3.1
219.02879	4.0
221.04404	3.4
229.04953	5.6
233.04509	4.8
249.36205	2.0
255.02921	3.6
267.06412	4.0
268.07312	4.4
279.06531	4.5
280.07343	3.1
281.08115	5.7
283.06003	8.8
285.03778	2.4
291.06577	2.8
293.08224	4.0
294.05243	24.1
295.06000	88.5
296.06808	6.7
297.07434	12.9
305.07999	3.0
307.06009	54.1
308.06900	18.6
309.07642	15.7
313.06979	5.5
317.07974	2.4
319.06021	6.2
320.06750	3.7
321.07544	32.7
322.08350	13.7
323.05646	3.6
323.09189	6.5
325.07059	100.0
326.07715	2.5
329.07837	3.1
333.07507	8.9
335.05484	3.6
335.09039	16.8
336.06290	3.4
337.07031	71.2
339.08640	2.7
345.07419	2.6
345.94284	2.4
347.09143	17.4
349.07022	33.3
350.07605	2.8
351.08578	26.4
355.08063	24.8
357.07614	3.5
361.06976	17.5
361.10760	4.0
363.08633	8.0
365.10168	14.1
367.08087	5.4
373.06918	5.8
375.08752	12.1
379.08102	64.0
385.06915	5.6
387.08835	2.8
389.10315	4.6
391.08096	35.1
393.09488	4.4
401.10004	3.3
403.08047	27.5
405.10046	2.5
409.09140	49.0
415.08121	2.7
417.09427	2.8
421.09180	30.2
427.10199	42.5
433.09351	2.8
439.10178	30.6
445.10205	6.1
457.11288	98.9
463.10123	6.0
469.09082	2.4
475.12326	17.6
481.11322	31.0
487.10001	4.3
493.11343	4.2
499.12466	19.2
505.11652	9.5
511.12354	23.4
523.12268	27.2
529.13220	10.4
541.13318	28.0
559.14429	22.4
577.15076	9.8
599.96643	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.5
53.03933	4.2
55.05507	10.9
57.03428	2.0
58.35806	1.2
65.03937	3.0
65.38343	1.1
67.05505	33.6
69.07069	9.6
69.31487	12.7
71.00535	1.1
71.04991	2.8
79.05489	41.8
81.07052	29.9
83.08624	5.2
91.05473	50.9
93.07034	33.0
93.38600	1.6
95.04960	7.3
95.08598	20.8
96.55904	1.2
97.10217	1.3
103.05465	1.9
105.07020	96.4
107.08579	17.4
109.06500	2.0
109.10157	6.9
112.47951	1.2
115.05415	6.4
116.06232	6.7
117.07005	23.4
117.63960	1.3
119.04935	2.9
119.08563	10.3
121.06511	1.9
121.10130	13.1
123.08044	1.3
123.11728	2.1
128.06190	7.0
129.06998	19.9
130.07762	2.7
131.08559	100.0
132.08913	1.8
133.10126	4.1
135.08018	1.8
135.11681	5.1
141.06989	3.0
142.07761	2.5
143.08548	14.7
145.06485	1.9
145.10121	26.0
147.11696	2.3
149.09599	3.3
149.13260	3.1
155.08524	8.0
157.10136	9.4
159.11688	4.2
161.13213	1.9
166.07831	1.7
167.08528	1.9
169.10100	3.3
171.11633	2.5
173.13263	1.4
181.10150	5.5
183.11732	2.3
195.11687	3.1
197.13214	3.6
211.14772	1.5
213.16418	1.4
223.14781	7.0
235.14729	1.5
241.15903	2.4
259.16980	2.0
261.22168	1.9
359.62042	1.3
434.48172	1.3
501.37177	3.6
593.42078	33.2
614.62115	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.0
54.68443	0.9
55.01870	1.9
55.05499	9.3
57.03429	1.3
65.03938	2.8
65.61229	1.1
67.05501	28.8
69.07050	7.2
69.26329	8.2
69.26752	4.3
71.04977	1.6
77.03918	1.3
79.05487	33.9
81.07053	25.8
83.08610	4.1
83.96068	1.3
91.05471	47.6
93.07032	27.9
95.04981	6.1
95.08595	18.1
97.06538	2.1
97.10134	1.5
103.05472	3.3
105.07024	90.8
107.08593	18.7
109.06480	2.3
109.10143	4.3
115.05421	5.8
116.06228	6.4
117.07007	22.7
119.04964	2.1
119.08559	8.3
121.06506	2.1
121.10139	10.2
128.06232	5.1
129.07001	16.1
130.07776	3.3
131.08554	100.0
133.10121	5.2
135.08028	1.6
135.11687	5.5
141.06967	3.7
142.07750	2.5
143.08553	12.7
145.10114	25.0
147.11679	1.4
149.09599	3.8
149.13199	1.3
155.08519	5.4
157.10107	7.3
159.08136	1.5
159.11682	4.4
161.13254	2.7
167.08540	2.6
169.10110	2.9
171.11668	2.7
173.13173	1.5
181.10059	6.1
183.11688	1.5
185.13065	1.6
195.11682	4.7
197.13234	2.4
209.13181	2.0
211.14734	1.7
223.14771	6.5
228.93646	1.1
241.15961	2.1
259.17065	2.4
501.37195	3.3
519.38538	1.7
533.25647	1.6
593.28046	6.8
593.41943	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	593.2756
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
54.75665	0.2
70.85595	0.3
70.85938	0.5
79.74656	0.2
82.49486	0.2
84.95104	0.2
94.50723	0.2
197.10779	0.3
209.10892	0.3
287.15018	0.3
338.16364	0.3
389.17630	0.9
390.18271	0.3
401.17755	0.4
402.18539	0.9
403.19092	2.7
404.19980	0.9
405.20615	1.5
416.20135	0.9
417.16574	0.9
417.21515	3.1
418.21951	1.5
419.22351	4.0
430.17041	1.1
431.18213	8.6
432.18698	2.2
432.24289	0.5
433.18332	0.3
433.24258	6.0
434.24905	1.2
444.19009	0.5
445.19855	8.9
446.20709	4.2
447.21637	5.5
449.23584	0.4
458.20795	0.4
459.21475	3.5
460.22577	12.5
461.23230	10.7
462.24414	0.4
463.21506	0.4
473.23837	1.9
474.24121	0.7
476.25681	1.0
477.22928	1.0
487.25259	1.2
489.26718	0.6
491.25323	1.2
492.25089	1.3
504.21689	0.3
505.21970	7.1
515.24158	0.3
518.22943	0.6
519.23993	1.0
533.25470	27.6
534.25903	0.7
547.26996	0.4
561.24969	0.6
564.23480	0.8
565.27960	0.9
575.26862	0.3
593.27533	100.0
594.27972	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
53.31445	1.4
55.01878	3.2
55.05497	5.2
57.03427	2.0
57.07062	5.0
59.04987	2.1
61.02904	2.3
62.61550	1.4
65.03928	2.0
67.05167	2.0
67.05502	23.0
69.03426	16.4
69.07059	2.8
69.10808	1.5
70.02407	5.4
70.02829	3.0
70.06584	3.6
71.04977	3.4
72.08156	1.6
73.02888	3.3
79.05489	8.7
81.03407	6.1
81.07052	12.2
83.04955	1.8
83.08611	1.6
83.17374	1.5
84.04527	1.5
84.08144	2.6
85.02901	56.4
85.06543	7.8
85.21613	1.5
86.09716	3.7
91.05475	8.1
93.07042	10.7
95.04959	3.2
95.08602	53.5
96.08949	3.2
97.02892	9.7
97.06499	1.6
98.21391	1.9
98.97546	2.6
99.04441	5.4
105.07021	27.6
107.08580	9.1
109.02843	5.6
109.06530	7.6
109.10139	23.3
111.04420	3.0
111.08093	1.8
113.05994	5.1
116.98605	1.5
117.07028	2.6
119.08568	33.4
121.01672	2.0
121.06492	3.5
121.10135	16.0
123.08069	26.4
123.10806	3.4
123.11703	61.0
125.05981	15.6
125.09618	2.5
127.03909	16.4
129.10248	2.2
131.08536	3.6
133.06471	4.4
133.10117	3.7
135.08095	1.6
135.11699	6.8
137.09631	2.4
139.07552	4.7
143.08525	2.2
145.04933	5.7
145.10146	8.1
147.08022	6.7
147.11673	39.2
149.05945	1.6
149.09615	32.0
150.09941	2.0
151.07527	14.6
151.14810	2.0
156.09325	2.6
157.10193	1.8
159.08014	1.8
160.08902	1.7
161.02957	2.5
161.09552	3.8
161.13280	11.4
162.03119	2.4
163.02704	2.3
163.11151	4.8
165.12741	6.7
167.10658	7.0
169.08589	1.8
171.11696	5.8
173.09663	1.8
174.10327	7.9
179.14322	4.3
189.12746	57.1
190.13005	1.7
207.13802	100.0
208.14136	5.5
225.14847	20.0
229.44579	1.6
251.09254	4.3
277.10693	1.8
290.12952	1.7
291.12756	2.2
291.81430	1.8
307.13782	1.9
308.14133	3.1
309.13773	6.1
318.15854	2.5
318.66107	3.4
333.16953	36.2
351.18057	59.6
352.15054	2.1
369.19061	19.4
387.20081	3.4
399.18494	6.0
399.68729	5.9
400.19028	2.0
411.17050	6.2
412.17032	1.9
413.26993	2.1
429.17972	3.7
495.20087	1.6
557.21173	2.1
575.31860	2.7
593.23322	1.8
593.33057	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	593.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76059	0.8
69.76484	0.9
96.96743	0.2
118.70177	0.2
192.08667	0.3
388.17117	0.4
389.17563	0.8
390.18594	0.3
401.17676	0.4
402.18347	0.7
403.19199	3.1
404.19901	0.7
405.20816	1.3
416.15454	0.4
416.20380	0.7
417.16214	0.5
417.21216	3.1
418.21939	1.3
419.22284	2.9
421.23288	0.4
430.17865	0.9
430.22382	0.5
431.18204	7.3
432.19366	1.4
432.24152	0.5
433.19171	0.5
433.24103	7.0
434.24652	1.0
445.19891	7.8
446.20621	3.3
447.21643	4.1
459.21313	3.4
460.22519	11.3
461.16785	0.6
461.23248	11.0
473.23862	1.8
474.24088	0.8
475.25046	0.3
476.25589	1.0
487.24930	1.2
489.26691	0.5
491.24100	1.1
492.25238	0.9
504.21478	0.3
505.21667	4.2
515.24927	0.4
518.23242	0.7
519.23932	1.0
530.51276	0.3
533.25452	42.4
534.25751	1.0
547.26990	0.4
564.23669	0.7
565.28308	0.9
575.26251	0.7
593.27521	100.0
594.27533	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
53.21167	0.6
62.35873	0.6
70.99409	2.0
77.03925	0.8
78.04692	1.2
79.05493	4.6
91.05467	3.1
93.07000	0.9
95.04956	2.4
95.61330	0.7
103.05482	0.8
105.04502	0.8
105.07024	1.8
107.04946	40.1
108.18259	0.6
115.05433	1.7
119.04945	1.2
121.06490	2.1
122.03568	0.8
123.04411	3.1
124.05197	2.7
125.06013	0.9
128.06238	0.9
129.06993	1.9
131.04909	1.0
131.08586	1.3
133.06471	8.7
141.06970	4.1
143.08575	1.0
145.06502	1.2
147.04352	0.7
147.08035	1.4
151.03780	0.7
152.04617	1.7
153.05412	0.8
156.05688	2.1
157.06425	3.4
158.07245	2.3
159.08031	1.8
161.56050	0.7
167.07028	64.2
168.05602	1.3
168.22057	0.6
169.06464	2.1
170.07253	11.6
171.08028	1.4
173.05966	1.1
175.07533	0.8
179.07037	4.5
179.08321	0.7
180.94960	0.8
181.08621	6.4
182.07211	0.8
184.05185	1.4
186.06723	5.3
187.07527	2.6
188.08310	1.1
189.06911	1.0
190.07639	1.1
191.08504	1.6
193.08612	1.7
195.07991	0.7
198.06734	2.1
199.07536	1.4
200.08287	1.7
201.09085	4.4
202.07794	2.5
203.08495	3.7
203.10562	1.6
204.09511	0.7
205.06505	2.6
205.08582	3.5
205.10228	0.9
208.05145	0.8
208.08670	0.8
211.07376	0.8
214.06367	0.9
215.08716	1.1
216.07765	4.8
217.08409	4.1
218.07312	2.6
219.08116	6.8
219.10078	1.6
220.08803	5.3
221.05954	0.8
221.09558	1.1
222.06885	1.5
229.08578	7.5
230.07260	2.0
231.08008	6.1
231.10118	32.8
232.08780	2.8
233.05998	1.9
233.09590	5.2
234.06790	1.6
234.10382	1.7
235.07581	1.4
235.11118	1.3
236.04547	0.7
236.08353	1.3
237.09087	0.8
243.08102	1.0
244.08821	0.9
245.05798	1.3
245.09671	3.5
246.06712	1.9
247.07513	12.6
247.09651	1.3
248.08307	12.0
249.09090	3.1
250.06299	1.7
251.07028	0.8
251.10445	1.0
257.05869	1.1
258.06787	2.0
259.07547	4.7
260.08319	2.9
261.05405	1.6
261.09024	5.3
262.06985	1.1
262.09891	5.0
263.07068	2.2
263.10638	9.6
264.07803	3.4
265.08548	4.5
266.09280	1.1
269.08121	1.1
271.09570	1.4
273.09064	1.8
274.06076	0.9
275.07043	6.4
275.09955	1.0
276.07761	9.9
277.05807	1.0
277.08615	6.0
277.11450	0.9
278.05743	1.8
278.09415	1.6
279.06885	1.5
279.10208	3.2
280.10852	0.9
287.07040	1.1
289.08664	1.8
290.09378	7.9
291.06711	1.4
291.10114	14.8
291.13370	0.8
292.07217	3.9
292.10797	1.9
293.08063	10.7
293.11670	2.1
294.08743	1.9
295.09836	1.1
295.13098	1.0
296.06894	0.7
299.09335	1.2
303.06516	1.4
304.07254	1.9
305.05179	0.9
305.08102	4.5
305.11627	2.5
306.08786	1.7
307.06070	1.2
307.09512	8.3
308.10342	8.1
309.11139	1.7
310.08340	1.7
315.08459	5.9
317.08035	0.8
318.08875	1.6
319.09552	9.1
320.06702	0.9
320.10278	1.3
321.07553	6.8
321.11133	2.4
322.08322	3.1
322.11996	3.2
323.05408	1.1
323.09180	1.5
323.12704	11.5
325.10648	1.5
330.10916	5.2
331.11758	1.8
335.09091	2.4
335.12833	1.0
336.09900	7.5
337.10675	9.5
338.07837	2.8
339.12259	0.9
341.09689	0.7
343.11896	0.9
350.11401	2.6
351.12216	23.0
352.13034	3.2
353.10129	10.8
353.13892	1.5
355.11591	0.8
355.15552	0.8
368.12549	11.4
383.14850	100.0
384.15283	2.0
385.16388	18.6
401.15848	2.2
584.24701	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14943	0.5
53.78477	0.5
59.63327	0.4
59.97320	0.4
64.29855	0.5
70.10833	0.5
70.66972	1.5
73.12276	0.4
104.47971	0.4
113.78732	0.5
139.91783	0.4
181.82228	0.5
278.63644	0.4
295.46222	0.5
297.99548	0.4
335.42438	0.5
395.95642	0.5
540.35913	0.5
546.08777	0.7
591.38654	100.0
592.38983	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
55.01870	0.6
58.27294	0.5
60.40818	0.4
67.05500	0.7
69.03429	0.7
70.06587	1.3
72.99230	0.5
74.62941	0.4
77.16404	0.5
77.25362	0.5
78.04690	0.6
79.05487	5.3
81.07034	1.6
85.02905	0.7
90.39154	0.5
91.05473	2.8
93.07025	0.8
95.04955	1.9
95.08589	1.0
103.05472	0.9
105.07013	1.8
106.04187	0.6
107.04950	22.7
107.08604	0.6
109.06509	0.5
115.05444	1.9
117.06973	0.7
119.04946	0.9
121.06525	1.7
123.04434	3.7
124.05193	2.4
125.05988	1.4
128.06194	1.8
129.07002	1.2
131.08545	0.6
133.06476	5.3
141.06993	3.4
142.07845	0.6
143.08615	1.2
144.05702	1.2
145.06453	1.3
147.04436	1.1
147.08037	1.2
151.03967	0.6
152.04681	1.2
153.05534	0.8
153.07002	0.6
156.05685	1.5
157.06502	2.6
158.07242	2.0
159.04366	0.5
159.07991	1.9
161.05984	0.8
163.03888	0.9
167.07034	50.5
168.05650	0.7
169.06435	1.8
170.07237	9.8
171.04448	0.5
171.08083	1.2
173.05994	1.4
175.07570	0.7
177.05489	0.9
178.32687	0.5
179.07047	3.7
181.04979	0.8
181.07137	0.6
181.08549	3.4
183.08043	0.7
186.06738	4.3
187.07477	2.9
188.08383	1.1
190.07706	0.8
191.07001	1.1
191.08565	2.0
193.08611	1.5
194.07266	0.7
197.05824	0.5
198.06728	2.1
199.07469	1.2
200.08289	1.8
201.09062	3.5
202.06114	0.7
202.07813	2.0
203.08594	2.2
203.10580	0.9
204.09390	0.6
205.06467	1.4
205.08539	2.9
205.10178	0.9
206.07224	1.3
207.06380	0.7
207.08086	1.4
208.05165	0.9
209.09688	1.4
211.07550	0.8
215.07005	0.6
216.07735	2.5
217.06694	1.0
217.08597	3.5
217.10304	0.8
218.07294	2.9
219.08049	6.3
219.10074	1.1
220.08783	3.6
221.05913	0.6
221.09648	1.1
222.06877	0.6
223.07649	0.6
229.08553	7.0
230.07323	2.0
231.08009	6.5
231.10176	24.7
232.08827	2.5
233.05981	2.1
233.09602	4.4
234.06729	1.4
234.10397	1.8
235.07471	1.7
235.11214	1.7
237.09038	1.2
243.08052	1.3
244.08810	0.7
245.05942	1.1
245.09717	3.1
246.06824	1.4
247.07521	11.2
247.09814	1.2
248.08319	10.6
249.09064	3.3
250.06291	1.7
251.07019	1.2
251.10774	1.5
254.05588	0.7
258.06815	1.7
259.07458	2.9
260.08234	2.6
261.05542	1.8
261.09045	5.2
262.06564	0.8
262.09860	5.2
263.07083	2.4
263.10648	7.2
264.07874	2.4
265.08511	4.6
269.08112	1.6
271.09744	0.9
273.09128	1.2
274.06079	0.7
275.07004	6.4
276.07779	10.0
277.05203	1.3
277.08615	6.2
277.11813	1.1
278.05786	1.9
278.09317	1.4
279.06577	1.4
279.10205	2.6
280.07330	0.7
280.10739	0.7
282.08826	0.6
287.07031	0.8
289.05194	1.3
289.08508	2.4
290.06012	1.0
290.09283	6.6
291.06723	1.4
291.10114	12.5
292.07303	4.4
292.10892	1.7
293.08066	9.6
293.11725	1.9
294.08795	1.1
295.09613	1.3
295.12964	0.5
296.10229	0.6
299.09229	0.7
303.06604	1.0
304.07248	2.2
305.08051	4.3
305.11710	1.9
306.08865	1.3
307.06207	1.3
307.09570	8.3
308.10388	7.4
309.07678	1.1
309.11206	1.9
310.08322	0.8
311.09027	0.6
315.08640	5.3
318.08807	1.5
319.09634	9.0
320.06876	1.2
320.10403	1.8
321.07544	6.2
321.11169	2.3
322.08246	3.5
322.11984	2.5
323.05698	1.0
323.09189	1.6
323.12686	11.7
324.09760	0.7
325.10782	1.6
330.10950	5.3
331.11737	2.3
333.11218	0.8
335.09299	2.7
335.12762	0.9
336.09958	8.3
337.10632	8.0
337.14502	0.6
338.07892	2.5
339.12207	0.9
350.11398	2.1
351.12247	22.8
352.13065	3.4
353.10168	10.7
353.14017	0.4
354.10788	0.7
368.12579	10.6
370.13901	0.7
378.73706	0.6
383.14865	100.0
384.15100	2.0
385.16452	12.0
390.40814	0.6
400.75339	0.6
401.15933	1.9
405.55710	0.6
513.28778	0.5
593.28827	1.8
600.19019	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.26
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
55.32317	1.0
57.81912	1.0
62.44339	1.1
65.42099	1.1
70.78491	1.7
70.78806	1.9
72.77829	1.2
102.18513	1.0
104.98580	1.1
112.56932	1.1
161.17134	1.2
188.95999	1.1
356.47089	1.2
382.28516	1.1
414.18631	1.4
415.19174	4.1
416.20016	1.6
417.26871	1.2
429.20828	5.4
430.21506	4.6
431.22714	1.2
443.22687	2.9
444.23370	7.1
445.24216	5.0
458.24820	1.4
459.25427	4.9
472.22900	2.5
473.23611	5.8
474.24078	2.5
485.23447	3.3
487.24979	20.8
489.22906	1.8
503.24564	1.8
531.23920	14.8
532.24786	5.2
590.43341	4.7
591.26001	100.0
591.40533	3.0
592.26416	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	590.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.4
57.07074	6.1
57.91286	2.8
58.91153	2.6
60.92022	2.8
67.05508	18.4
69.03445	8.1
69.07058	21.3
71.04995	6.3
71.21289	5.4
78.57254	2.9
79.05494	10.7
81.03415	13.1
81.07053	47.1
83.08604	6.7
84.08140	3.5
85.02881	13.3
87.00837	5.8
88.15669	2.8
91.05478	12.8
93.07051	16.9
95.04934	3.6
95.08608	32.6
97.02883	8.7
97.10165	5.3
105.01856	4.9
105.07028	45.6
107.04958	4.6
107.08595	26.3
109.02870	6.8
109.06549	6.5
109.10162	37.8
117.07038	8.8
119.08579	100.0
121.06461	8.1
121.10136	19.1
123.11724	26.4
127.03916	8.3
131.08582	13.0
133.10109	17.1
135.08073	11.3
135.11725	7.4
136.68533	2.7
143.08545	4.0
145.04939	5.0
145.10118	25.9
147.11699	25.7
149.13266	11.4
151.07655	2.7
157.10249	3.8
159.11707	33.0
161.13278	18.3
163.14798	9.4
173.13281	10.1
175.14819	7.3
175.57312	3.0
179.17958	4.3
189.16377	6.0
191.18036	3.3
201.16463	3.4
203.18007	5.5
207.17523	3.1
215.17979	17.1
271.24158	33.8
289.25339	7.1
357.24152	6.0
405.43616	3.1
501.28522	9.5
519.29675	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	591.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83734	0.4
55.01835	0.6
55.05503	0.8
64.85322	0.3
65.03931	0.8
67.00957	0.4
67.05487	1.1
69.03405	0.9
69.07043	0.7
69.40521	1.3
69.40946	2.3
70.06595	2.3
79.05488	0.9
81.03418	2.5
81.07054	2.1
83.04982	0.6
84.08128	0.8
85.02887	2.1
85.06525	0.6
86.09692	1.3
89.03867	0.4
91.05473	8.7
93.07027	1.3
95.04939	0.5
95.08595	1.1
97.02902	0.4
98.97495	0.5
105.07000	1.3
107.04921	0.6
107.08570	1.1
109.02871	0.7
109.10123	1.1
110.03666	0.6
118.39107	0.5
119.04092	0.6
119.04941	10.5
119.08591	0.6
121.10178	0.6
123.11654	0.8
127.03907	0.9
129.10225	0.7
135.04381	0.7
137.05969	0.5
145.06398	0.4
145.10126	0.4
147.04395	10.6
149.02258	0.4
157.03920	0.4
163.03911	0.6
164.04588	0.4
167.07050	0.7
175.03894	17.8
176.51376	0.4
177.05441	1.0
179.07027	1.0
180.04260	0.6
182.12570	0.4
191.03345	1.9
192.75131	0.5
207.06514	47.8
208.03654	74.1
209.04015	0.6
223.05998	100.0
224.06320	1.4
255.11357	0.5
283.52246	0.5
307.26086	0.5
334.08832	0.4
351.10623	3.9
369.11765	1.2
564.94641	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97542	3.2
53.03954	3.9
55.05509	36.4
56.96559	4.5
57.03434	5.7
57.07058	9.7
61.02929	3.9
67.05161	3.0
67.05502	21.7
69.03422	14.6
69.07072	51.6
70.06613	5.2
70.84946	6.6
70.85303	7.5
79.05489	13.7
79.23165	3.7
81.03418	10.9
81.07054	100.0
83.08610	12.4
85.02901	17.0
87.00826	7.8
91.05489	11.5
93.07031	28.3
95.04935	3.8
95.08601	90.2
97.02872	8.8
97.06530	10.3
97.10161	31.0
100.41093	3.6
105.07023	16.2
107.04970	4.1
107.08588	31.8
109.02881	6.8
109.06550	4.8
109.10141	45.0
111.11711	10.3
115.03912	6.9
115.05460	4.5
116.65715	3.3
119.08589	13.7
121.06487	5.5
121.10155	17.7
123.11701	44.2
127.03918	9.3
131.08572	7.0
133.10115	8.2
135.08086	4.2
135.11678	13.9
137.05962	8.2
137.13211	16.5
139.11176	21.0
141.12804	4.2
142.01282	3.3
145.10121	6.1
147.04417	5.0
147.11732	5.5
149.13283	21.3
151.14830	17.8
153.12659	4.1
157.10109	5.6
157.12219	17.0
159.11768	3.7
161.13292	6.8
163.11121	4.4
163.14847	8.3
167.06972	4.4
173.05981	6.7
173.13344	5.6
175.11124	4.3
187.13332	15.7
189.12462	3.7
201.03993	5.8
237.18436	7.5
247.04462	7.7
253.18123	8.3
279.27063	4.5
305.24728	20.3
307.26282	19.6
308.45953	3.8
323.25781	8.0
336.58835	4.6
383.14795	6.3
395.25647	5.0
413.26553	4.7
477.25977	3.9
510.62875	3.6
582.95294	4.2
589.25787	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	589.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.8
55.01880	2.4
55.05507	22.3
55.05749	2.0
55.49643	1.1
56.21764	1.1
57.03440	2.8
57.07069	7.6
59.05021	1.6
61.02934	2.1
63.14820	1.1
65.03953	1.3
67.05502	27.5
69.03419	13.7
69.07065	34.0
70.06609	2.8
71.04990	6.7
71.59915	1.8
72.08195	1.5
73.02922	2.2
73.06572	1.6
78.64227	1.3
79.05491	19.9
81.02958	2.6
81.03416	19.3
81.07053	100.0
83.05002	3.5
83.08620	8.3
84.08183	1.6
85.02900	12.8
85.06540	11.8
85.06932	1.1
86.09724	3.0
87.00851	3.8
91.05466	12.3
93.07041	45.8
93.07614	2.3
95.04968	7.5
95.08603	75.9
97.02917	8.0
97.06543	10.5
97.10172	19.7
99.04463	4.8
99.08122	4.0
105.01851	2.0
105.07031	18.2
105.07667	1.5
107.04975	1.8
107.08593	40.6
109.02882	17.0
109.03561	1.4
109.06548	5.2
109.10157	32.6
111.04487	2.1
111.08076	14.8
111.11725	5.8
113.09692	1.4
117.07052	1.9
119.08574	16.1
121.06544	1.9
121.10143	28.4
123.08131	2.6
123.11706	44.7
124.41331	1.1
125.09626	5.9
125.35694	1.1
127.03918	15.5
131.08595	3.6
133.10124	9.6
135.08138	1.7
135.11691	16.7
137.06093	1.4
137.09685	3.6
137.13239	15.8
139.11169	11.3
141.07118	1.4
141.12749	1.9
142.07823	1.8
143.08586	1.6
143.10747	2.4
145.04991	1.8
145.10152	5.1
147.11682	12.3
149.09650	2.2
149.13257	34.7
151.11226	4.8
151.14842	2.9
153.12727	6.4
155.14362	3.0
157.10152	2.3
157.12257	7.9
157.13362	1.3
159.11732	5.4
161.09673	2.8
161.13271	8.2
163.03981	2.2
163.11255	2.5
163.14806	8.8
165.12811	2.4
167.10709	2.0
167.14453	2.4
171.11761	2.8
171.13797	3.5
173.13341	3.4
175.14932	3.9
177.12695	2.1
177.16426	2.6
179.14401	1.7
185.13286	2.3
187.11447	1.9
187.13329	5.6
187.14828	2.0
189.16441	1.9
191.14400	1.4
193.05118	1.9
195.13882	1.7
195.17400	1.4
197.13156	1.5
199.14781	1.3
201.16513	2.0
203.12769	2.9
205.15996	1.4
209.15479	2.0
213.04022	5.3
213.12735	1.3
213.16365	2.6
215.17914	1.2
217.19432	1.5
219.17497	1.5
222.29829	1.2
223.17041	2.9
231.05037	3.6
231.17456	1.4
237.18578	3.0
249.18571	3.9
259.24280	1.8
267.71057	1.4
269.22754	1.9
275.23807	2.8
277.25244	2.9
287.23785	4.8
293.24683	7.4
303.23358	1.5
305.24744	35.6
305.28152	2.1
311.25949	2.0
323.25800	16.3
341.26901	3.2
359.86014	1.2
385.26981	1.3
413.26920	2.7
431.28235	2.3
523.29102	1.8
535.29291	1.8
597.91345	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.9153
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	6.0
69.31664	1.8
69.32084	3.4
71.95253	1.0
74.39296	0.6
98.20720	0.9
98.97581	54.0
111.25372	0.5
116.98618	55.0
134.99657	31.2
135.00475	0.4
140.00180	3.6
153.00726	4.8
158.01273	3.0
172.94347	1.3
188.22083	0.5
190.95366	4.1
208.96445	2.8
214.95424	1.4
232.96451	9.1
250.97501	5.5
255.97975	0.9
256.96399	14.9
257.82791	0.5
258.99869	1.3
274.97507	100.0
275.97961	1.4
277.00830	2.0
289.29779	0.7
290.94708	1.7
291.63043	0.6
292.98553	82.3
293.98938	1.1
297.99103	10.9
299.54669	0.6
308.95770	0.8
310.99734	1.1
316.00192	7.4
339.01764	0.7
346.90524	0.9
349.14749	0.5
364.91803	0.7
391.14551	0.5
400.92050	0.6
414.95349	29.5
432.96426	59.3
433.96555	1.2
448.93918	0.9
450.97528	13.2
455.98041	9.8
473.98877	1.1
504.89487	1.5
522.90247	0.9
588.91956	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.6
55.05503	23.6
57.07067	8.3
59.04989	5.8
59.95735	3.2
65.03934	4.2
66.79105	3.5
67.05502	45.6
69.03436	4.7
69.07070	58.0
69.93566	19.1
71.08624	3.8
72.14741	3.5
79.05493	21.3
81.07059	98.6
83.08627	16.8
85.02900	8.7
85.06516	3.3
86.09717	3.7
91.00758	3.3
91.05468	20.3
93.07046	68.9
95.04945	7.9
95.08607	87.8
97.02899	5.0
97.06532	5.1
97.10176	8.7
98.20852	4.3
105.01911	5.1
105.07038	71.4
107.04986	4.5
107.07865	4.5
107.08593	84.2
109.06522	15.4
109.09454	5.9
109.10159	89.1
111.08087	4.1
115.05435	6.8
117.07031	10.4
119.08585	100.0
121.06523	25.7
121.10140	83.4
123.08088	4.0
123.11702	43.7
125.09637	14.0
127.03914	7.4
129.07042	4.1
131.08527	18.7
133.10144	23.5
135.08058	84.7
135.08917	3.2
135.11703	26.5
137.09648	3.6
137.13202	16.3
139.11211	13.8
142.07808	6.2
143.08540	20.9
144.09383	4.3
145.10129	53.1
147.11708	40.7
149.09630	7.3
149.13269	28.6
157.10117	30.4
159.11694	41.1
159.12871	4.7
161.09610	9.5
161.13284	31.2
163.11163	6.8
163.14835	5.5
167.06937	4.0
171.11681	16.6
173.06010	4.0
173.13271	15.8
175.11221	13.5
175.14822	14.8
177.16391	45.8
185.13301	17.2
185.45537	3.4
187.14868	16.0
189.16367	7.7
191.14328	3.7
199.14825	19.5
201.16386	16.8
203.17952	28.7
204.14673	4.0
213.16362	41.3
217.15804	4.5
227.17976	10.8
229.19464	5.7
231.17407	6.3
269.22632	80.2
287.23730	38.6
292.31125	3.5
305.24814	7.8
399.18106	3.7
500.75555	3.7
544.16937	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	586.322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84896	2.4
55.05511	6.5
56.96556	2.9
57.03432	3.8
57.07085	3.0
67.05491	9.3
69.03422	8.2
69.07059	10.6
70.04242	12.4
73.02896	2.6
79.05484	3.8
81.03423	6.4
81.07047	18.4
83.04949	2.4
83.08620	3.9
85.02911	11.6
85.38811	2.3
87.00821	2.2
91.05482	10.0
93.07049	7.0
95.04964	4.0
95.08598	18.9
97.02914	4.0
98.20784	2.5
99.04453	2.7
99.08074	2.9
101.50372	2.3
105.01836	3.6
105.07021	35.3
107.08577	11.2
109.02889	4.4
109.10148	20.8
111.66190	2.2
117.07011	6.4
119.04941	3.9
119.08572	64.4
121.10142	6.7
123.11709	3.3
125.09647	6.6
127.03928	9.8
127.11194	2.7
129.07001	3.7
131.08548	14.9
133.10115	6.4
135.11700	9.0
137.03932	2.4
141.06979	6.4
142.07788	18.8
143.08537	11.4
145.04973	4.6
145.10114	51.0
147.11702	3.9
155.08522	11.6
157.10120	44.5
159.03003	2.3
159.08080	2.9
159.11705	24.3
168.09474	2.7
169.10132	23.3
170.10933	2.3
171.11687	8.7
173.09650	6.7
173.13261	7.5
175.11165	55.8
175.14914	3.4
183.11670	15.8
185.13277	10.5
187.14769	3.3
197.13237	16.0
199.14879	9.4
211.14789	37.6
211.16698	2.6
225.16403	13.0
227.17960	3.4
229.15868	5.5
242.00015	2.3
267.21048	100.0
272.34213	2.5
285.22104	51.1
303.23187	5.3
586.27155	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	587.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
70.69918	10.4
70.91188	19.8
79.05473	13.2
81.07045	18.0
91.05496	10.7
93.07048	13.2
95.88570	9.9
115.93521	8.4
139.18024	9.6
145.10144	9.2
161.25703	8.2
191.12576	8.6
254.41420	9.3
418.24521	13.4
473.03137	11.3
561.56256	9.8
587.37897	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96437	9.3
56.40268	10.2
60.86695	11.4
70.25879	45.9
79.76942	12.3
81.07071	11.8
93.07015	11.0
153.53424	9.4
162.36205	9.9
206.70020	9.8
249.24637	10.0
251.12669	10.9
280.59552	10.0
317.06885	10.4
587.38440	100.0
587.46606	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.2
55.01857	7.9
55.05519	11.7
55.71815	4.4
56.57141	4.2
57.07081	6.6
65.24271	4.5
67.05505	30.1
68.73087	4.7
69.03432	17.7
69.07068	31.5
70.06598	7.9
71.05009	5.2
71.59150	9.3
73.02912	6.8
75.80217	4.6
79.05495	18.4
81.03416	15.1
81.07060	61.6
83.04991	6.5
83.08610	8.5
85.02906	43.5
87.00839	14.9
89.53217	4.8
91.05468	25.2
93.07044	42.8
95.04964	7.8
95.08606	61.2
97.02907	15.7
99.04457	9.5
103.05456	4.7
105.01875	17.5
105.07026	57.7
107.04921	7.6
107.08591	40.7
109.02900	14.9
109.06525	9.2
109.10168	70.6
109.92888	4.5
111.11739	5.9
115.05468	6.1
117.07043	9.2
119.08580	82.9
121.06509	19.2
121.10154	25.7
122.59218	6.5
123.08012	10.0
123.11727	28.2
125.09660	7.0
127.03918	31.6
131.04951	8.2
131.08585	17.4
133.10143	25.2
133.92001	4.3
135.08057	100.0
135.11690	16.4
137.13237	7.0
143.08562	15.3
145.04985	10.2
145.10133	44.4
147.04449	8.1
147.11700	20.2
149.09602	9.2
149.13264	14.8
150.32137	5.5
156.09441	5.7
157.10115	30.5
159.02872	5.6
159.11696	59.5
161.09647	8.6
161.13289	27.5
161.14452	4.6
163.11154	8.3
163.14839	8.5
167.07065	6.3
171.11697	16.8
173.06004	9.5
173.13260	20.8
175.11221	20.4
175.14709	12.7
177.12776	8.2
185.13239	10.6
187.14789	12.3
189.16516	10.2
197.50002	5.0
199.14799	15.5
201.16426	8.4
205.15971	5.8
213.16411	42.4
215.18019	9.3
217.15916	6.1
227.18022	5.8
231.04977	6.3
231.17528	12.1
269.22668	70.2
287.23718	59.9
322.23697	6.8
346.96497	5.1
371.09473	5.0
380.14395	5.3
383.14902	11.2
394.47659	5.1
400.23141	5.5
427.07086	5.3
588.21570	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	585.216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
63.29125	0.3
67.05502	0.5
69.03424	1.7
69.07061	0.6
70.06598	1.0
71.59558	0.6
79.05495	0.7
81.03436	1.0
81.07055	0.8
83.04966	0.5
84.08154	0.4
85.02907	1.8
86.09715	0.8
91.05492	1.1
91.08826	0.3
93.07043	1.6
95.01957	0.4
95.04974	1.3
95.08604	0.9
97.02910	0.4
97.06535	1.2
99.04454	0.5
105.07034	3.5
107.04971	0.5
107.08606	0.9
109.02864	0.6
109.10187	0.6
119.01925	1.1
119.08595	1.2
121.06518	1.0
125.06022	0.4
127.03851	0.5
129.03990	0.9
131.08571	0.4
133.06448	0.3
133.10150	0.6
135.04373	0.3
135.07996	0.3
135.76712	0.3
143.03163	0.4
143.08472	0.4
145.03516	0.7
145.05016	0.3
145.10120	1.6
147.05032	1.5
147.08105	0.3
147.11652	0.5
149.06558	0.5
155.03098	0.6
159.11700	0.6
161.09708	0.4
161.13185	0.4
163.11115	0.5
173.04236	3.4
173.09593	0.9
175.11270	0.3
187.11253	0.5
193.04991	0.5
203.05251	4.2
223.42612	0.3
247.13094	1.1
249.09761	0.8
265.13144	0.4
267.10849	0.6
273.11084	2.2
277.43256	0.3
287.11392	0.5
291.12073	7.6
305.12418	0.5
309.11850	0.7
315.15720	1.0
317.12247	0.4
333.11963	0.6
335.13528	1.9
348.84988	0.3
359.14499	0.5
361.16251	3.6
363.12793	0.5
377.02924	0.3
377.15717	3.6
381.13968	1.0
405.15137	1.5
409.18253	1.1
417.04230	0.3
423.16080	9.4
424.16037	0.4
435.16330	1.4
453.17178	13.0
523.21429	2.7
539.20929	2.7
567.20557	3.4
585.21539	100.0
586.21869	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	585.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
63.57333	0.5
67.05496	0.6
69.03413	1.6
70.06595	2.5
70.94095	1.2
73.02899	0.8
79.05501	1.1
81.03414	0.9
81.07034	0.7
83.04976	1.0
84.08132	0.8
85.02888	2.0
86.09703	1.8
91.05489	0.6
93.07039	1.2
95.01891	0.5
95.04951	0.9
97.02937	0.7
97.06538	1.1
105.07021	2.9
107.08578	1.0
119.01894	0.5
119.08559	1.1
120.08106	0.6
121.06520	1.6
125.05988	1.6
127.03925	0.7
137.06007	0.7
145.10139	2.0
153.05313	0.5
158.07310	0.7
159.11642	0.9
173.04225	7.4
173.09651	1.4
185.04234	0.9
187.11227	0.8
193.05048	0.6
203.05293	5.2
229.12048	1.0
235.08153	0.4
241.47075	0.5
245.11464	0.6
247.13226	0.7
249.09856	1.4
263.11316	0.5
265.12820	0.7
267.10831	1.3
273.10916	2.8
287.11526	0.8
291.12045	6.2
309.11841	1.8
333.11993	1.0
361.16315	2.6
377.15454	2.6
405.15121	1.7
409.18539	0.8
423.16119	4.1
435.16174	7.2
453.17105	14.3
469.13510	0.8
523.21295	2.0
539.20990	1.6
567.20728	5.0
585.21533	100.0
586.21991	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.8
67.05496	0.6
69.03421	1.1
69.07069	0.6
69.89484	1.4
69.89903	1.0
70.06578	2.3
71.06918	0.4
72.08163	0.6
77.19617	0.4
79.05486	1.1
81.03423	0.9
81.07031	0.6
82.06568	0.5
83.04971	0.9
84.04489	0.4
84.08134	0.7
85.02896	2.0
86.09707	0.8
91.05479	1.0
93.07032	0.7
95.01939	0.7
95.04936	0.4
95.08603	0.5
97.02864	0.5
97.06528	0.8
98.20748	0.5
99.04411	0.6
103.05467	0.5
105.07023	3.0
107.08598	0.5
109.02857	0.4
112.51832	0.4
119.01913	0.7
119.08569	0.8
120.08087	0.6
121.06474	1.0
121.17384	0.5
127.03893	0.8
129.10158	0.5
131.08577	0.5
135.07997	0.4
137.05969	1.0
143.03197	0.7
143.08554	0.5
145.10158	1.1
159.11650	0.5
161.03020	0.5
163.03920	0.9
173.04175	2.3
173.09601	0.6
184.34195	0.4
187.11206	0.5
193.05023	1.0
203.05243	4.4
217.39612	0.4
247.13043	1.5
249.09691	0.7
265.12570	0.5
267.10815	1.7
269.10516	0.4
273.10947	0.9
291.12000	4.5
304.21719	0.5
305.12335	1.1
306.67242	0.4
309.11896	1.9
319.22681	0.5
329.16107	0.4
354.30661	0.4
361.16211	2.9
377.15897	3.3
405.14926	1.9
407.16876	0.6
409.18454	2.1
423.16168	8.9
435.16275	1.8
453.17026	15.5
493.24313	0.5
523.21497	2.1
539.21063	2.6
567.20789	3.9
585.21503	100.0
586.21948	4.3
609.76257	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	3.7
57.07071	35.5
69.07053	2.9
70.78617	1.4
70.78947	2.6
71.08627	32.9
71.27643	1.2
73.06566	8.3
81.07044	1.9
83.08603	3.8
85.10171	19.9
87.04445	4.9
89.06026	100.0
91.54077	1.1
97.10162	5.8
99.11700	1.6
107.07027	4.6
111.11730	3.4
113.13260	1.5
117.09120	4.7
127.14767	1.2
130.08623	4.2
133.08591	56.0
137.05948	1.8
141.16446	1.8
161.11699	1.2
177.11221	20.3
197.22621	1.8
221.13777	3.2
224.96521	1.0
241.25368	1.2
283.17462	2.3
285.27881	5.9
327.20044	1.5
329.30481	3.8
371.22891	5.4
464.96777	1.3
567.44348	6.2
584.56458	2.7
585.37177	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
55.05510	20.7
57.07076	15.6
59.04996	3.0
65.03944	4.8
67.05508	29.6
69.03427	7.0
69.07072	26.5
71.08611	2.0
79.05495	29.7
81.07059	39.7
83.04989	10.2
83.08616	10.9
85.06544	7.4
85.10189	2.3
87.04491	2.4
89.06026	15.7
91.05484	48.4
93.07047	69.2
95.04975	14.0
95.08605	38.9
97.06532	11.8
97.10165	2.6
98.21535	3.4
103.05437	4.8
105.07037	87.4
107.04964	2.1
107.07874	2.9
107.08594	53.1
107.09290	3.8
109.06527	12.1
109.10165	27.3
111.08067	3.2
115.05476	7.0
116.06255	3.3
117.07013	17.1
119.08583	100.0
121.06512	3.5
121.10146	68.2
123.08068	16.6
123.11698	9.8
125.09649	5.5
128.06213	14.2
129.07010	20.3
130.07837	10.0
131.08560	44.7
133.06526	4.2
133.08580	6.1
133.10129	47.2
135.08028	10.8
135.11700	17.4
137.09605	13.6
139.11183	3.6
141.06992	12.6
142.07784	27.8
143.08559	47.6
144.09351	8.0
145.06482	2.3
145.10121	66.1
147.08064	10.2
147.11685	18.9
149.09583	11.1
149.13307	4.7
151.07568	8.5
153.06979	6.5
154.07776	2.9
155.00986	2.3
155.08527	20.1
155.10619	3.1
156.09358	21.0
157.10133	65.0
158.10866	10.0
159.08070	7.0
159.11688	38.1
161.09636	6.6
161.13303	7.6
163.11154	9.4
165.07054	7.5
165.09091	14.6
167.08588	13.7
167.10666	42.1
168.09412	7.4
169.10143	32.7
170.10970	10.8
171.11690	38.5
172.12424	2.6
173.09651	4.3
173.13274	31.8
175.11220	6.3
175.14835	14.1
178.07698	4.5
179.08574	14.0
180.09399	7.8
181.10104	19.6
181.12276	6.4
182.10924	7.7
183.11707	28.1
184.12422	6.1
185.13234	16.1
187.11188	2.3
187.14787	10.0
189.12817	7.0
191.14319	10.1
192.09311	8.6
193.10149	20.0
194.10988	10.6
195.11693	30.8
196.12514	7.2
197.09550	2.4
197.13222	22.7
198.14049	2.3
199.11151	2.7
199.14835	27.2
201.12830	2.0
201.16441	5.7
203.14374	9.0
204.09386	2.9
205.10170	6.9
205.15852	2.7
206.10965	9.0
207.11768	21.6
207.13734	4.4
208.12471	9.2
209.13260	26.1
209.15140	3.6
210.13998	4.2
211.11179	2.1
211.14781	16.6
213.12770	3.4
213.16386	6.3
215.14325	6.3
217.10118	4.1
217.15868	19.2
218.10976	4.2
219.11723	10.5
220.12489	9.1
221.13286	17.4
221.15425	28.7
222.13998	5.4
223.11089	2.1
223.14784	12.7
224.15582	2.4
225.16397	9.4
230.10748	2.7
231.11684	10.0
232.12521	5.3
233.13228	12.0
233.15424	14.5
234.14139	3.2
235.14828	13.8
236.15399	2.3
237.16315	9.2
239.14485	2.9
239.17926	5.3
241.57991	2.1
243.11662	3.5
244.12506	3.5
245.13245	11.0
246.14133	7.2
247.14824	9.0
248.15704	2.9
249.16339	13.2
251.17999	6.2
253.19595	2.7
255.17506	2.8
257.13358	4.8
257.18964	9.2
258.14001	2.9
259.14807	5.9
260.15680	4.9
261.16370	11.7
262.17297	2.8
263.18097	5.6
265.19586	6.3
269.19089	6.6
271.14691	2.4
271.20596	3.1
273.16367	4.7
274.17181	2.5
275.18002	8.1
277.19553	5.4
279.20944	2.3
281.19095	4.3
283.14795	3.0
283.20648	13.9
284.15900	2.1
285.18802	2.8
289.19568	5.3
291.21146	2.8
295.20520	4.6
299.17633	2.8
299.20435	2.3
303.21222	3.1
307.20566	3.8
309.21915	2.2
315.21039	2.2
329.22684	2.7
331.24210	6.3
335.23557	2.6
343.24188	2.4
345.25763	2.3
349.25381	7.8
365.24664	2.2
375.27014	3.5
403.30060	3.8
478.03741	2.2
491.35199	6.2
547.39307	4.5
565.40283	21.1
575.33252	2.1
583.41418	91.9
588.80792	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66706	5.9
55.05495	20.1
57.07063	18.0
59.04994	6.7
65.00253	6.4
65.03921	9.2
67.05490	28.2
69.03429	13.9
69.07059	26.7
71.05537	14.3
71.05901	7.3
79.05479	44.3
81.07047	45.9
83.04977	14.1
83.08609	12.5
85.06536	9.3
91.05477	66.5
93.07030	73.6
95.04963	12.3
95.08595	49.8
97.06499	9.9
101.52240	6.4
105.07027	91.1
107.08585	62.0
109.06503	14.6
109.10131	26.2
116.97054	6.3
117.07009	23.4
119.07794	8.3
119.08581	100.0
121.10126	60.7
123.08027	13.4
126.40823	6.2
128.06206	20.1
129.07002	23.8
131.08546	48.3
133.10110	56.8
135.08086	14.8
135.11653	17.3
137.09598	12.1
141.07019	14.3
142.07748	31.4
143.08565	54.1
144.09312	9.3
145.10097	54.3
145.18954	6.1
147.08038	13.3
147.11667	22.1
149.09589	7.1
151.07544	14.9
155.08543	17.2
156.09367	19.4
157.10120	62.9
158.10953	11.1
159.11673	36.0
159.68945	6.0
163.11217	9.4
165.06960	10.4
165.09137	31.7
167.08623	8.1
167.10645	15.1
167.11960	6.6
168.09355	13.0
169.10092	36.1
169.84224	6.9
170.10852	12.8
171.11676	45.8
173.13242	26.3
175.14836	11.7
179.08531	21.1
180.09364	11.7
181.10083	27.5
182.10893	8.0
183.11662	44.9
185.13316	15.2
187.14810	10.6
192.09419	13.6
193.10100	25.0
194.10916	22.3
195.11702	32.5
196.12558	8.6
197.13272	20.9
199.14795	26.4
201.16319	10.4
203.14272	10.1
206.10880	8.8
207.11725	23.9
207.13644	8.2
209.13232	26.7
211.14781	19.2
217.15765	10.0
219.11443	7.5
220.12479	11.8
221.13228	23.2
221.15361	53.2
223.14844	17.3
226.17484	6.5
231.11665	7.8
233.13211	22.7
235.14841	16.8
237.16418	9.4
242.20216	6.1
243.11679	9.5
245.13155	10.3
247.14822	17.3
249.16377	15.8
251.18045	10.1
259.14813	10.7
260.15643	7.8
261.16281	10.7
265.19495	14.1
273.16400	11.2
275.18094	10.7
278.29355	6.7
283.20422	13.4
325.19540	6.7
349.25049	7.7
367.31256	7.3
420.44513	6.8
565.40161	24.3
583.41510	97.1
592.10388	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	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.05508	15.7
57.06852	1.1
57.07077	11.4
59.04988	4.3
65.03934	3.9
67.05500	24.2
69.03428	7.7
69.07067	14.5
69.44467	11.9
77.03954	1.5
79.05493	23.1
79.35939	1.3
81.03426	1.5
81.07059	32.9
83.04980	6.9
83.08625	8.6
85.06566	7.7
85.06994	1.4
91.05482	41.3
93.07043	54.9
94.26103	1.1
95.04973	12.9
95.08603	37.3
97.06533	5.1
97.10180	2.8
103.05458	4.0
105.04511	1.4
105.07030	71.1
107.04930	2.1
107.08597	45.7
109.06499	9.0
109.10155	17.9
111.08064	3.0
115.05447	6.7
116.06280	2.7
117.07011	16.9
119.08580	80.5
121.06512	6.9
121.10141	46.5
123.08064	15.4
123.11718	6.2
125.06021	2.4
125.09589	2.3
128.06230	9.4
129.07005	19.4
130.07774	8.8
131.07607	1.7
131.08569	35.5
133.06514	3.2
133.10126	37.7
135.08084	12.1
135.11702	13.3
137.09618	13.3
139.11182	2.7
141.06961	9.7
142.07777	25.2
143.08554	38.1
144.09322	7.4
145.06462	2.1
145.10121	50.0
145.11287	2.4
146.07275	1.3
147.08037	19.2
147.11685	14.3
149.09631	5.7
149.13272	3.3
151.07541	22.6
153.06990	4.9
153.08980	1.9
154.07744	2.5
155.08534	19.9
156.09366	18.9
157.10127	55.3
158.10942	8.5
159.08086	4.8
159.11694	26.8
161.09621	6.8
161.13263	7.3
163.11176	8.3
163.14975	1.3
165.07034	6.6
165.09113	39.8
166.07822	3.6
167.08577	9.7
167.10646	10.0
168.09352	8.3
169.10118	28.3
170.10922	7.4
171.08186	1.8
171.11682	33.4
172.12534	1.4
173.09668	3.4
173.13268	21.0
175.11220	3.6
175.14798	9.4
177.09183	2.4
179.08557	16.0
180.09380	6.1
181.10123	15.9
181.12263	5.5
182.10883	7.8
183.11700	30.3
184.12523	5.4
184.78409	1.3
185.09607	1.7
185.13260	20.8
187.11191	3.4
187.14824	8.7
189.12750	7.6
191.08624	1.4
191.14305	9.0
192.09407	4.7
193.10161	16.2
194.10904	11.3
195.11699	24.8
195.13385	2.1
196.12511	8.1
197.13260	22.5
198.14024	2.2
199.11282	2.1
199.14819	15.9
201.12807	1.9
201.16411	2.2
203.08675	2.0
203.14301	17.6
204.09282	1.7
205.10138	4.7
206.10847	8.6
207.11728	18.3
207.13840	8.2
208.12363	7.4
209.13268	24.8
209.15298	1.9
210.14046	4.4
211.11162	1.5
211.14827	12.9
213.12857	2.1
213.16470	5.4
214.70026	1.2
215.14229	3.0
217.10130	5.0
217.15894	7.8
218.10953	2.9
219.11700	10.1
220.12489	7.3
221.13266	14.0
221.15314	72.7
222.14114	3.5
223.14833	14.5
225.12807	1.3
225.16370	6.6
227.14421	2.2
227.17921	1.7
229.10187	1.8
229.15987	2.0
230.10907	2.1
231.11604	6.6
231.17482	3.0
232.12524	5.2
233.13251	11.3
233.15422	4.7
234.14049	3.7
235.14809	13.0
235.16913	1.6
236.15730	2.5
237.12721	1.5
237.16428	6.8
239.18015	4.1
243.11728	4.2
243.17365	1.9
244.12416	2.5
245.13255	8.1
246.14090	3.1
247.14848	11.2
247.16905	2.6
248.15588	2.7
249.16319	7.7
251.17982	5.9
255.17537	1.8
257.13269	2.1
257.19012	7.6
258.14047	3.0
259.14862	5.7
260.15628	4.1
261.16336	11.1
263.17990	6.5
265.19498	9.9
267.17575	1.6
269.19070	3.6
271.14832	3.1
271.20612	2.6
272.15424	1.3
273.16260	7.1
275.17844	11.2
277.19440	6.3
279.21130	2.1
281.19107	3.8
283.14902	1.8
283.20547	12.3
286.19550	2.6
287.17548	2.7
287.20416	2.9
289.19516	5.8
291.21030	1.5
293.19009	2.1
295.20602	5.8
297.16324	1.3
297.22095	5.6
301.19296	2.6
307.20612	1.7
309.22150	2.6
315.21048	2.0
327.21292	1.5
329.22623	2.7
331.24277	4.2
333.22067	1.9
335.23572	1.3
347.23590	3.0
349.25366	7.0
351.23053	1.6
352.23969	1.8
357.25821	2.5
361.25400	4.4
365.24875	3.7
373.25632	2.4
375.26837	7.7
403.30051	9.0
427.30023	1.6
490.79657	1.8
491.34695	4.2
503.35339	5.0
509.34268	3.2
547.39459	4.0
565.40350	30.4
583.41455	100.0
584.42059	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18366	1.4
53.03941	3.3
55.05505	15.3
55.93414	1.5
57.07070	8.4
59.04981	3.0
59.54832	1.6
62.87748	1.4
63.52076	1.4
65.03918	3.2
67.05219	1.6
67.05505	18.3
69.03411	6.7
69.07058	16.2
71.05003	2.1
71.52338	2.5
79.05487	21.0
81.07056	29.6
83.04975	7.4
83.08613	7.5
85.06532	4.7
91.04887	1.8
91.05467	37.8
93.07036	50.7
95.04952	14.6
95.08601	31.1
97.06535	5.5
103.05450	4.5
105.07022	66.3
107.08588	39.3
109.06513	8.1
109.10140	20.5
113.09693	2.1
115.05453	4.6
117.07010	15.7
119.08574	70.3
121.06494	4.5
121.10136	48.7
123.08044	14.7
123.11694	3.1
125.06010	2.8
125.09631	4.3
128.06201	11.6
129.07007	12.1
130.07773	9.3
131.08559	35.3
133.06483	3.6
133.10127	37.4
135.08069	8.1
135.11696	12.6
137.09636	7.6
141.06978	10.9
142.07776	20.4
143.08562	37.4
144.09360	6.2
145.10117	47.3
147.08081	10.2
147.11688	16.7
149.09637	9.2
149.13261	4.1
151.07526	11.8
151.11133	1.7
153.07028	4.8
154.07767	3.3
155.08546	16.2
155.10663	2.9
156.09340	17.0
157.10115	47.1
158.10915	7.0
159.08049	5.3
159.11681	25.8
161.09618	5.6
161.13258	5.5
163.11209	7.7
165.07013	6.4
165.09081	13.0
166.07814	2.7
167.08598	10.5
167.10666	29.5
168.09312	7.6
169.10118	27.0
170.10916	8.5
171.11688	28.9
172.12453	2.6
173.09596	2.2
173.13245	23.0
175.11201	3.1
175.14821	11.6
178.07826	1.9
179.08563	14.4
180.09325	6.4
181.10127	15.9
181.12207	5.3
182.10876	7.9
183.11673	25.2
184.12459	4.3
185.09740	2.2
185.13205	16.9
187.14812	6.3
189.12781	7.9
191.14323	6.8
192.09401	7.0
193.10138	12.3
193.11700	2.1
194.10886	13.5
195.11694	18.1
196.12497	5.0
197.13234	20.2
198.13843	2.0
199.14786	15.7
201.16365	4.0
203.14307	7.8
205.10141	4.3
205.15877	2.4
206.10942	7.0
207.11694	18.0
207.13741	6.7
208.12393	7.5
209.09984	1.5
209.13235	26.5
210.14059	3.7
211.11212	2.4
211.14857	11.4
213.12819	2.3
213.16408	5.8
215.14287	4.0
217.10100	5.4
217.15846	7.6
218.10963	5.4
219.11734	5.0
220.12505	5.6
221.13268	16.2
221.15398	29.0
222.14122	3.1
223.14789	14.7
225.16414	5.0
227.14362	2.8
231.11728	4.7
232.12469	4.0
233.13222	8.7
233.15390	12.9
234.14084	2.6
235.14799	11.7
236.15555	2.8
237.16319	9.3
239.18015	3.4
241.15863	2.7
241.19566	2.0
243.11661	2.6
244.12491	2.4
245.13187	7.7
246.14075	4.5
247.14900	8.5
248.15559	4.1
249.16318	12.4
250.17348	1.7
251.17953	6.5
253.19638	1.8
255.17372	2.9
257.13312	2.8
257.19009	6.5
258.14081	2.2
259.14902	6.5
260.15622	4.7
261.16434	8.2
262.17105	3.7
263.18060	5.9
265.16074	1.7
265.19550	7.1
269.18945	6.4
271.14764	3.0
271.20364	1.9
272.15582	2.2
273.16324	4.8
274.17334	1.9
275.17911	10.9
277.19656	6.2
281.19052	5.1
283.20587	11.1
285.16074	2.4
286.17032	2.4
287.20499	2.7
288.18625	1.9
289.19537	4.8
293.19003	2.5
295.20493	3.4
297.16559	2.2
297.22318	2.1
299.20462	2.0
301.19400	3.0
303.21176	2.3
315.21072	3.2
321.22308	2.1
329.22745	2.7
331.24252	4.2
333.22137	2.2
347.23813	3.0
348.24936	2.0
349.25327	7.1
357.25754	2.4
359.23932	2.8
361.25259	4.0
366.25644	2.3
375.27005	4.5
403.29993	5.1
418.31293	1.8
491.34912	2.6
503.35315	1.9
509.34290	4.3
547.39355	6.2
565.40527	21.5
583.41412	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.36
Annotation	Camangeloyl acid
Peak:m/z	Relative Intensity
55.05507	1.5
55.84759	0.7
57.03417	1.1
59.86538	0.7
67.05493	5.3
69.07045	1.9
79.05486	3.2
81.07050	4.6
91.05470	1.9
93.07018	3.9
95.08604	4.2
105.07013	1.3
107.08583	1.8
109.10163	1.5
119.08585	1.1
121.10145	1.5
131.08542	0.9
133.10173	0.7
135.11708	1.2
176.44113	0.7
217.31085	0.8
249.10954	32.8
250.11435	0.8
279.17209	0.6
305.13574	3.2
335.25906	1.0
364.73373	0.7
448.74707	0.8
568.33191	0.7
583.35962	100.0
584.35907	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	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80981	1.5
51.02367	1.8
53.03942	3.4
55.05510	15.7
57.07074	12.8
59.04995	4.5
64.16785	1.2
65.03934	4.1
67.05499	26.7
69.03431	10.4
69.06712	2.1
69.07064	21.7
71.05002	1.8
71.05624	2.4
71.05958	2.7
71.84521	1.5
77.03914	1.7
79.05054	2.0
79.05491	30.4
81.07052	36.0
83.04974	9.3
83.08600	10.2
85.06565	7.4
89.68359	1.6
91.05475	52.3
93.07037	63.0
95.04962	14.4
95.08599	38.8
97.06524	6.2
97.10152	1.7
103.05469	5.6
105.04538	2.0
105.07022	89.5
107.04962	2.7
107.08588	53.9
109.06500	11.3
109.10135	21.4
111.08080	3.7
115.05469	5.4
117.06994	18.9
119.08574	88.0
121.06493	5.2
121.10132	48.5
123.08047	20.0
123.11711	5.9
125.05997	3.8
125.09628	3.1
128.06226	14.5
129.07008	19.5
130.07799	6.5
131.07588	2.4
131.08559	40.8
131.09505	2.5
133.06577	1.7
133.07623	1.5
133.09111	2.4
133.10121	46.1
135.08025	11.7
135.11688	12.9
137.09615	15.5
139.07521	1.5
139.11218	3.3
141.06995	10.7
142.07764	26.6
143.08548	49.4
144.09312	9.8
145.06523	1.7
145.10117	64.3
147.08060	18.9
147.11668	18.9
149.09644	6.6
149.13268	3.7
151.07559	20.0
151.11174	2.7
153.07018	5.3
154.07762	4.6
155.08531	20.1
156.09322	22.4
157.10121	67.2
158.10910	9.4
159.08072	5.8
159.11681	32.4
161.09599	7.1
161.13243	9.4
163.11163	12.1
165.07004	9.4
165.09100	44.7
165.12753	1.6
166.07831	4.2
167.08601	13.4
167.10669	11.8
168.09372	10.6
169.10121	40.0
170.10931	11.6
171.11679	35.7
172.12468	2.1
173.09590	3.0
173.13239	29.6
174.10405	1.6
175.11188	4.0
175.14801	12.1
177.12653	1.7
178.07843	2.6
179.08580	16.8
180.09320	9.4
181.10101	18.8
181.12221	5.4
182.10909	10.1
183.11690	35.9
184.12393	8.4
185.13242	19.8
187.11108	2.5
187.14775	7.8
189.12714	6.9
191.08543	4.3
191.14256	10.4
192.09338	8.3
193.10121	18.0
194.10892	15.1
195.11670	29.5
196.12431	10.0
197.09529	1.6
197.13245	25.9
199.11195	2.6
199.14807	20.3
201.12761	2.7
201.16435	3.7
203.14288	16.3
205.10179	6.1
205.15967	2.2
206.10930	8.7
207.11720	22.9
207.13817	8.1
208.12492	8.0
209.13249	33.0
209.15230	2.0
210.14053	4.9
211.11266	3.1
211.14848	14.5
213.12732	2.3
213.16412	5.0
215.14252	2.6
216.09381	2.0
217.10222	5.1
217.15857	13.3
218.10890	2.5
219.11612	9.1
220.12413	7.5
221.13261	18.2
221.15408	74.9
222.14052	5.3
223.14777	18.1
224.15712	2.3
225.12886	2.3
225.16367	8.0
227.14282	4.2
229.10254	2.1
229.15845	2.9
230.10895	2.5
231.11754	8.4
231.17558	3.7
232.12469	6.4
233.13278	12.6
233.15446	5.5
234.14090	7.1
235.14806	14.7
236.15643	2.5
237.16296	11.5
239.14323	2.7
239.18005	7.3
241.15880	2.1
241.19548	1.8
243.11650	3.5
243.17462	2.3
244.12396	2.3
245.13197	9.1
246.14119	6.9
247.14836	12.8
247.16931	3.6
248.15787	2.8
249.16365	13.2
250.17172	2.3
251.14241	3.2
251.17972	5.0
253.15764	1.9
253.19565	2.7
255.17555	3.0
257.13223	2.5
257.19012	8.8
258.13959	2.9
259.14896	6.6
260.15625	6.2
261.16302	12.2
262.17169	3.9
263.17908	8.8
265.19452	9.5
267.17505	3.1
269.19009	5.8
271.14905	4.8
271.20688	2.7
272.15549	2.1
273.16339	5.5
274.17020	2.5
275.17871	13.4
277.19437	2.9
279.20895	2.7
281.19153	1.8
283.14816	2.6
283.20517	17.0
285.16226	3.7
286.19531	2.7
287.17404	2.4
287.20108	6.1
289.19421	4.2
290.20197	2.2
291.21121	4.3
293.18979	3.2
295.14941	1.8
295.20633	4.5
297.16425	1.8
297.22107	6.1
300.20978	2.0
301.19516	3.5
307.20605	2.7
309.22147	2.6
313.21838	1.7
315.21014	2.8
316.21970	1.7
317.22803	2.2
329.22751	3.7
331.24173	7.7
335.23532	2.5
347.23746	2.5
349.25351	8.0
365.24969	4.5
375.26932	6.0
397.25061	2.1
403.29913	8.2
491.35223	7.3
503.35187	4.8
547.39227	4.4
558.32263	1.9
565.40430	26.5
583.41400	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27430	3.5
68.03696	3.6
69.07058	11.8
69.25395	13.0
69.25818	32.5
70.06589	27.6
72.08157	5.3
74.02437	11.1
77.25225	3.6
83.06104	4.1
84.08128	29.8
85.02886	6.5
86.09698	100.0
99.05554	5.8
110.07135	10.1
118.05013	4.8
122.09679	8.1
129.10242	5.4
139.12289	5.0
146.04439	9.0
150.09157	7.7
163.03935	8.9
167.11830	17.8
196.13237	5.3
213.12399	21.6
214.10750	30.4
229.08566	5.9
231.13391	98.1
239.97430	4.2
338.10675	4.3
361.58801	4.1
364.09210	4.0
449.93008	4.5
583.18622	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	582.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01860	1.8
55.05509	1.0
57.03431	1.4
57.07057	1.3
57.60414	0.3
58.44993	0.3
60.04524	0.6
61.02916	1.5
67.05502	2.5
68.99760	0.8
69.03427	10.7
69.07059	3.0
70.06583	1.2
71.04978	1.0
71.59987	0.7
73.02898	2.3
79.05488	7.2
81.03419	6.1
81.07052	100.0
83.05000	0.6
83.08607	0.4
85.02901	30.2
86.09700	0.8
87.00826	11.6
87.01343	0.7
87.04453	0.4
91.05486	0.7
93.07047	1.1
95.08600	13.4
97.02892	13.0
99.04468	2.8
105.01859	28.7
107.08558	0.4
109.02869	8.5
109.10149	1.1
111.04490	0.5
115.67756	0.4
117.01833	0.4
119.08588	0.5
121.10106	0.5
127.03910	25.6
129.01813	1.4
133.10208	0.4
137.13243	22.9
142.89908	0.4
145.04945	11.2
147.02895	0.7
154.15935	1.1
159.02905	3.1
167.07033	0.5
181.04922	0.4
182.15422	0.6
189.03976	0.8
213.03874	2.4
231.04959	11.0
249.06055	6.2
253.07103	0.7
271.08234	0.5
375.09262	0.5
393.10010	0.7
471.53699	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01856	2.9
55.05497	3.6
60.04515	2.5
61.02929	1.6
67.05489	6.8
69.03410	4.5
69.07061	6.6
70.06589	9.1
71.04977	3.1
71.59276	3.1
72.08150	3.9
79.05487	7.2
81.03423	3.1
81.07052	23.8
83.04961	4.8
84.08129	5.2
85.02882	7.8
85.06545	2.5
86.09693	7.7
91.05479	8.6
93.07030	21.0
95.04961	6.9
95.08600	9.5
95.66599	1.5
97.02917	4.0
97.06536	8.2
99.04444	3.7
105.07022	21.0
107.04964	2.4
107.08582	18.3
109.02821	2.1
109.06498	12.9
109.10161	7.8
110.07210	1.9
111.04370	1.9
111.08067	4.3
115.07552	2.2
116.76085	1.5
119.08582	12.6
120.08098	3.4
121.06527	16.2
121.10105	7.7
123.08054	5.7
123.11693	18.8
127.03899	5.2
127.07552	7.2
131.08592	3.4
133.06474	2.9
133.10141	3.8
135.08057	6.0
136.07533	10.0
137.05933	2.4
137.07895	3.5
137.13217	3.2
139.07492	9.9
143.08549	2.7
145.10114	4.7
147.11673	64.8
149.13248	5.4
152.07042	3.8
157.08615	3.7
157.10123	6.7
161.09639	2.0
161.13216	4.0
163.03865	2.9
163.11227	2.7
164.07082	8.6
165.07381	5.2
165.12743	72.2
167.06981	3.6
167.49667	1.7
171.11705	6.4
173.09627	2.4
173.13124	2.1
175.11153	7.9
177.05342	1.7
183.13789	11.5
186.93985	1.7
189.12733	5.9
191.14236	3.9
193.08716	1.7
193.12212	17.1
199.11160	5.1
207.06412	1.7
207.13791	5.9
209.15323	13.0
211.13356	2.0
217.12195	14.1
229.14336	28.0
235.13242	19.3
237.03951	3.3
253.14330	100.0
271.15314	11.7
272.06339	2.6
289.10678	2.4
307.15637	1.9
331.15207	1.9
335.11264	5.9
349.16400	2.8
367.17468	10.4
385.18350	3.8
497.16443	5.6
539.17444	3.5
583.16382	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	582.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.7
55.05499	16.4
61.68253	6.0
64.25290	5.5
66.71801	4.8
67.05492	20.7
69.03418	18.4
69.07061	14.4
70.06588	45.1
70.68999	6.6
70.69328	12.4
71.04973	11.8
72.08151	12.8
79.05472	24.7
81.03430	11.4
81.07048	50.2
82.06543	6.5
83.04969	20.1
83.08592	10.9
84.04469	8.1
84.08137	20.2
85.02898	24.5
86.09692	26.6
91.05463	34.3
93.07044	64.6
95.04945	20.7
95.08607	28.6
97.02853	7.2
97.06511	24.6
99.04442	18.5
100.07623	9.5
100.11253	15.6
100.57906	6.1
105.07033	46.8
107.04955	6.7
107.08585	45.1
109.06503	24.1
109.10126	11.1
110.07140	9.0
111.04458	5.3
119.04904	7.6
119.08568	37.6
120.08101	8.1
121.06506	46.3
121.10150	17.4
123.08035	12.3
123.11713	12.4
125.05993	15.4
127.03811	7.1
127.07573	10.6
129.06889	6.5
131.08571	16.8
133.06479	9.3
133.10141	14.0
135.08057	14.0
135.11736	6.5
136.07503	6.0
137.05927	8.5
139.07527	16.1
142.07767	7.6
142.24255	5.3
143.07092	12.4
143.08586	15.6
145.10089	16.6
147.08002	8.6
147.11679	79.0
149.13280	7.5
151.07646	6.7
157.05060	7.9
157.10115	14.3
161.13254	12.5
165.12750	59.9
167.07059	8.3
171.11665	21.2
175.11203	23.8
182.15405	11.9
183.13792	7.2
187.11195	5.9
189.12796	29.9
193.12259	32.5
194.76289	5.9
199.11195	16.2
207.13820	16.8
209.16527	6.0
210.14856	15.7
211.13345	7.8
217.12248	55.5
229.14337	13.6
235.13295	70.5
253.14378	100.0
263.05960	6.2
267.71118	7.1
284.95758	5.7
291.73370	6.6
307.15283	8.4
349.16510	31.8
367.17343	44.7
385.18546	33.9
408.33188	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	581.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
55.91909	0.6
56.55398	0.7
60.65781	0.7
67.05510	1.3
69.34174	6.9
70.06587	1.1
79.05482	1.4
81.07059	1.6
91.05478	1.6
93.07043	1.2
95.04965	2.4
98.20738	1.2
103.05465	50.9
105.07021	2.2
107.04942	2.4
110.78851	0.7
119.04941	0.8
121.06502	2.0
131.04926	100.0
132.05266	1.0
133.06512	2.8
134.03552	0.9
137.05981	1.2
138.94286	0.8
147.04428	1.3
149.05963	3.1
159.04474	0.9
161.05962	3.3
163.07544	28.6
167.07057	2.4
177.05447	6.8
181.08554	0.8
199.07587	1.6
209.08086	7.4
217.08662	0.9
502.24457	0.7
533.11993	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28937	5.7
53.03938	11.1
55.01875	5.3
55.05515	32.8
56.96563	7.1
57.07064	7.9
60.04516	14.4
67.05498	34.6
69.03412	16.2
69.07055	59.1
70.06575	21.3
70.39785	5.1
71.04974	10.3
71.59478	7.8
79.05488	16.7
79.62209	4.5
81.03389	18.9
81.07049	97.8
81.15431	4.4
83.04977	9.0
83.08601	15.1
84.08136	6.7
85.02898	38.1
85.06518	22.1
86.09698	9.7
87.00801	11.3
91.05457	18.2
93.07021	30.7
95.04935	9.0
95.08604	59.6
95.32640	6.3
97.02862	10.5
97.06532	14.9
97.10165	33.2
100.23898	5.7
102.69436	4.6
103.05434	7.9
105.07019	19.2
107.04937	8.7
107.08585	26.2
108.04434	5.0
109.02901	10.7
109.06525	5.6
109.10147	52.6
111.08093	7.0
111.11717	13.3
111.97817	4.9
113.09659	11.3
116.98621	7.2
117.50749	4.6
119.04923	6.3
119.08562	9.9
121.10126	21.8
123.11710	100.0
127.03918	28.9
131.04944	9.0
131.08618	7.5
133.06430	6.0
133.10129	9.4
134.05997	5.7
135.11681	11.3
137.05959	14.3
137.13235	12.4
139.11148	9.5
141.12669	5.6
145.10106	12.6
147.04358	9.8
149.05978	5.5
151.03984	5.5
151.11148	6.9
151.14853	6.5
153.12732	6.9
161.06003	5.7
163.03899	7.6
163.07567	8.3
163.14822	11.0
167.07016	26.2
173.13124	5.2
181.04895	5.4
193.05017	11.4
213.03986	7.7
217.08682	7.5
231.04962	5.3
233.22656	7.7
243.21066	11.1
251.23654	18.6
261.22101	21.7
267.13519	7.5
279.23120	97.7
289.05313	9.1
297.24213	50.4
333.20508	7.8
343.36533	5.6
499.32089	5.0
537.26831	5.6
581.25409	34.4
581.41022	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	581.1859
Annotation	Naringin chalcone
Peak:m/z	Relative Intensity
55.01856	2.5
55.05505	3.6
57.03431	9.5
59.04981	1.8
67.05510	3.1
69.03432	10.4
69.07066	2.1
69.43278	14.0
70.06595	13.5
71.04991	54.9
72.08138	3.6
74.56844	1.4
75.04469	3.5
76.53439	1.5
78.56628	1.5
79.05473	2.5
81.03386	5.7
81.07047	2.3
83.04980	4.2
84.04479	2.3
84.08128	4.6
85.02901	64.3
85.05666	1.4
86.09710	8.1
91.05460	5.5
93.07007	3.8
95.04951	5.6
95.08585	2.6
97.02872	5.4
97.06526	1.5
102.05510	1.9
103.05443	1.6
105.07008	3.0
107.04961	5.1
107.08568	3.2
109.02847	4.8
109.10148	1.9
110.07134	2.1
111.04413	2.4
117.03319	1.6
118.40058	1.4
119.04910	6.0
119.08572	1.8
120.08064	3.6
121.02892	3.7
123.04343	3.3
125.05977	3.1
127.03909	5.9
129.04573	2.6
129.05463	18.3
129.06940	1.9
129.10239	2.5
131.08563	1.6
133.06427	1.8
135.04405	4.6
135.08133	1.6
135.11658	1.6
136.07578	2.1
137.05959	2.4
145.04970	1.9
145.10193	2.2
147.04404	24.4
147.06531	3.1
149.02341	1.8
149.05994	1.9
151.03879	2.7
151.07507	2.1
153.01826	39.5
161.05984	2.5
163.03886	3.8
165.01810	8.8
167.07025	5.5
171.02869	19.2
177.01846	4.9
177.05467	3.7
183.02892	12.0
189.01707	2.3
191.03409	8.4
193.04927	2.5
195.02882	46.3
203.03407	3.2
207.02888	1.7
207.06490	3.4
211.50240	1.4
217.01276	1.5
219.02884	17.7
231.02887	5.5
237.03944	2.1
245.04427	7.2
249.03862	3.2
257.12854	2.1
261.03915	6.4
261.09729	1.4
263.05563	11.0
273.07544	100.0
279.04788	1.8
281.06476	3.6
285.07520	11.7
297.07413	6.5
303.04834	3.9
315.08603	16.0
339.08609	21.5
351.08701	5.4
365.09995	2.2
369.09689	2.3
381.09521	4.6
383.11212	9.3
399.10602	5.2
407.10516	1.8
417.11691	7.0
419.13080	5.5
435.12808	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	580.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	35.5
57.03428	18.6
67.05499	98.5
69.07051	27.3
77.05745	13.9
79.05476	62.6
81.07050	100.0
91.05474	44.8
93.07033	67.6
95.04958	21.4
95.08602	48.1
107.08605	37.8
109.06490	14.2
109.10120	30.3
109.33971	13.3
119.08572	36.4
121.10130	19.0
123.11679	14.2
125.29902	15.0
131.08626	13.5
133.10144	28.9
134.06010	14.0
135.11681	43.8
145.10136	29.8
163.11174	41.1
168.15068	13.1
176.29196	13.8
218.78242	13.5
227.12885	29.1
229.74142	20.6
256.94931	14.5
256.98260	14.6
283.15289	21.7
285.16998	49.1
335.25830	54.2
337.27310	41.8
362.18942	14.2
364.21854	14.6
456.97571	15.5
545.38257	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05275	5.5
54.38005	5.3
55.05490	17.0
57.03433	9.2
67.05503	60.1
69.07058	18.6
69.27094	46.1
69.27517	21.2
70.06585	12.0
72.04517	11.8
79.05489	43.9
80.05007	7.6
81.03405	43.6
81.07054	73.0
83.08606	18.0
86.02541	5.4
91.05492	29.8
93.07043	45.8
95.04955	18.4
95.08588	46.0
105.07008	25.5
107.08590	26.4
109.10149	15.4
117.07011	7.2
119.08575	19.1
121.10134	25.1
123.11692	7.7
129.06996	6.7
131.08524	15.1
133.10120	12.9
135.11667	14.1
138.12688	6.6
147.11658	12.2
148.11311	5.8
149.09627	13.6
157.10139	8.9
166.12263	11.6
182.15359	37.9
192.13795	8.7
193.12291	21.8
210.14882	77.9
244.18343	5.8
261.22061	12.5
267.15881	94.7
284.18439	17.5
302.19531	19.1
335.25757	100.0
518.38293	22.2
527.37274	34.4
544.39673	14.2
562.41229	31.0
564.53278	6.8
580.38202	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	580.333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07807	0.5
53.03944	3.0
55.01871	3.0
55.05512	4.7
56.05030	4.8
56.96562	0.8
57.03445	3.0
57.07092	1.1
58.06594	0.9
60.04526	100.0
61.02925	1.8
65.03936	0.9
67.05504	13.2
67.05827	1.1
68.05017	0.9
68.87531	0.5
68.99796	1.4
69.03427	13.2
69.03802	0.7
69.07070	4.3
69.48038	3.4
69.48464	1.9
70.06596	3.7
71.05003	1.7
72.04513	3.5
72.08157	1.0
73.02923	1.7
74.06079	3.3
79.05502	6.3
80.05024	1.7
81.03422	10.2
81.07059	13.0
82.06594	2.0
83.04988	1.1
83.08617	2.4
84.04507	1.6
84.08158	1.7
85.02907	22.5
86.06084	2.0
86.09704	1.5
87.00841	5.6
90.05549	2.0
91.05473	5.2
93.07042	7.1
94.06577	1.5
95.05000	1.9
95.08604	10.1
96.08131	1.3
97.02883	6.3
97.06561	1.2
97.10195	1.5
98.06085	1.5
99.04441	4.5
102.05583	1.3
103.03966	1.2
104.07131	2.4
105.01895	3.7
105.07066	2.5
107.04973	1.0
107.08595	4.9
109.02891	8.0
109.06613	0.7
109.10147	5.4
110.07200	0.8
112.07643	0.9
115.05436	0.7
116.07073	0.8
117.01880	0.7
117.07049	1.4
119.08581	3.3
120.08083	0.9
121.06532	0.9
121.10136	3.4
123.11737	1.9
127.03911	13.7
127.04777	0.9
129.01866	1.1
129.07076	0.6
129.10229	1.0
131.08578	1.6
133.10153	2.2
135.11670	3.1
137.06035	0.6
140.07095	0.7
145.04958	3.6
147.02942	0.8
147.11674	1.6
152.07085	0.8
159.02951	1.8
159.11797	0.8
161.13286	1.1
163.03932	0.7
167.07089	0.9
193.05013	2.3
231.05089	1.6
243.21138	0.9
246.08678	0.7
248.23781	1.7
254.24818	1.3
260.23837	2.0
261.22046	0.8
266.12482	0.9
266.24857	0.6
278.24774	7.6
292.10379	1.0
296.25836	10.9
310.11450	2.5
314.26874	25.9
315.05167	0.9
316.05133	0.8
332.27948	74.3
333.28308	1.0
356.28119	1.4
374.28925	3.9
394.69016	0.8
404.28009	0.9
418.12335	1.1
482.31445	0.8
494.33313	1.6
518.33270	1.3
526.30035	1.0
536.34235	5.7
544.31201	2.7
562.32532	6.5
580.33289	65.4
581.33313	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.8
55.05506	4.1
59.15847	2.9
67.05487	5.9
69.03413	12.8
69.07064	25.5
70.06587	5.6
70.93357	8.5
71.04983	5.8
73.06524	3.9
74.42263	2.6
79.05499	14.6
81.03390	4.4
81.07037	11.9
83.04985	54.9
85.02895	6.7
85.06541	4.5
91.05467	18.4
93.07058	21.1
95.04955	9.8
95.08597	5.9
97.06532	48.0
99.04457	11.5
101.05992	3.3
105.07034	54.6
107.04923	8.7
107.08583	13.1
109.06504	18.9
117.07017	11.4
119.04924	11.7
119.08559	14.2
121.06516	32.6
125.05994	79.5
127.07539	3.7
129.06979	7.4
130.07794	4.7
131.08588	19.3
133.06476	8.6
133.10114	6.7
135.04424	3.0
135.11690	3.2
137.05942	15.3
138.06297	3.1
139.07469	5.4
143.07037	63.4
143.08293	3.3
143.08513	2.6
145.06488	9.9
145.10118	90.4
147.08080	4.6
147.11662	4.5
151.07582	15.5
154.07735	4.9
155.08554	5.9
157.08601	13.0
158.07298	9.1
159.08035	7.8
159.11682	40.8
161.13293	3.1
163.11179	32.9
169.10141	13.5
172.08904	3.9
173.09636	58.1
177.12752	19.0
187.11168	69.0
187.12784	4.9
191.10692	24.8
197.09631	13.6
205.12244	71.4
207.06581	4.4
207.13823	3.5
209.11726	8.5
215.10669	82.3
223.13284	8.9
233.09500	6.4
233.11732	100.0
251.12798	57.2
269.13806	34.3
348.15375	3.1
365.15842	5.0
383.16830	8.3
463.62671	4.2
505.18250	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	580.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	4.3
55.05511	6.8
56.62864	2.1
57.03413	2.4
57.18432	2.0
64.24121	2.6
66.29107	2.3
67.05495	6.6
67.96409	1.8
69.03429	7.0
69.07076	16.3
70.06588	7.5
71.04991	4.8
71.20605	4.4
74.06052	2.0
79.05501	11.2
81.03416	4.3
81.07069	11.0
83.02451	2.4
83.04977	40.5
84.04498	2.7
84.08168	4.1
85.02905	6.4
86.09704	3.5
91.05493	10.6
91.76981	2.1
93.07050	19.0
95.04974	8.3
95.08597	5.8
97.06532	36.2
99.04454	7.9
103.05508	3.3
105.07031	31.0
107.04952	8.9
107.08587	12.6
109.06535	12.8
117.06993	6.9
119.04916	5.6
119.08574	7.8
120.08105	8.3
121.06496	26.9
125.05994	72.4
129.06975	2.4
130.07811	2.9
131.08566	9.1
133.06488	5.6
133.10121	3.0
135.08049	2.9
135.11690	5.3
137.06000	8.1
139.07516	5.9
143.07042	71.3
143.08339	4.5
143.08594	4.4
144.09418	2.9
145.06490	6.3
145.10127	52.6
147.08066	2.9
147.11647	5.9
151.07584	10.7
155.08633	3.1
157.08598	8.0
158.07292	4.2
159.08063	4.5
159.11710	24.1
161.13269	2.5
163.11174	28.3
169.10136	9.6
169.88594	2.4
172.08807	3.7
173.09627	59.5
177.12738	12.3
181.12241	4.2
187.11186	47.0
189.12788	3.6
191.10696	22.6
197.09631	9.7
205.12225	52.5
209.11766	8.4
215.08659	4.1
215.10693	76.4
223.13281	4.0
227.12798	3.2
233.11736	100.0
233.14108	4.9
237.60718	2.4
251.12788	64.1
269.13791	12.2
297.17389	2.4
365.16019	4.5
383.17245	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	579.3891
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
53.03943	3.2
55.01870	8.7
55.05508	31.8
57.03432	13.8
65.03930	4.4
67.05502	100.0
69.07061	24.5
71.04997	6.8
71.60199	5.5
79.05495	53.0
81.03405	8.6
81.07057	86.3
83.04974	14.3
83.08610	14.2
85.06544	6.4
91.05480	38.0
93.07043	66.0
95.04942	21.1
95.08601	64.3
97.06499	10.0
97.10169	12.9
105.07013	29.0
107.04952	11.7
107.08591	37.0
109.10150	43.4
111.04443	8.4
117.06979	16.9
117.62345	3.2
119.08570	26.5
121.10130	40.6
122.03356	3.2
123.08033	7.1
123.11666	10.6
125.09617	7.5
129.06995	7.5
131.08586	21.7
133.10146	22.1
135.11671	22.4
137.13292	5.5
139.11252	4.1
139.88589	3.5
143.08513	5.0
145.06509	3.6
145.10126	26.1
147.11674	13.8
148.20879	3.3
149.09645	9.5
149.13263	11.5
153.12753	7.1
157.10156	5.9
159.11688	11.9
161.13248	8.1
163.11211	19.6
165.13089	3.8
173.09636	11.1
173.13216	6.6
181.12178	11.8
185.13301	5.3
191.10643	13.4
193.12328	4.3
213.16510	4.0
227.12827	17.6
229.14317	5.5
245.13762	6.8
261.22110	19.1
265.14505	16.2
271.20322	3.4
279.23267	6.5
283.15378	25.2
301.16403	19.5
315.23611	3.2
317.24786	6.4
333.24551	4.1
335.25793	24.2
353.26556	11.5
363.25217	5.6
433.31335	4.2
436.89954	3.8
451.32025	5.4
469.33353	6.9
470.34329	3.6
489.35620	8.3
515.36993	5.3
525.35846	4.6
543.36670	22.6
561.37811	26.8
579.39099	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	579.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56579	1.6
65.03922	1.6
67.05505	1.7
69.07079	1.7
70.94382	4.4
78.04700	2.0
79.05473	10.0
81.07027	2.7
89.03919	2.1
91.05489	11.9
93.07023	4.0
95.04959	5.6
102.04720	2.1
103.05467	23.4
105.06371	3.3
105.07030	37.3
106.04169	15.4
107.04964	21.5
115.05467	9.5
117.03379	5.2
117.07024	3.3
118.04166	7.4
119.04942	4.0
119.08575	2.2
121.06517	8.5
123.04475	2.3
129.07005	3.2
130.04187	2.0
131.04930	28.1
132.05705	7.3
133.06494	41.2
134.03633	1.9
135.04355	2.3
137.05995	3.6
143.05988	3.1
145.02863	1.6
145.06479	7.3
146.03664	2.0
147.04431	7.9
147.07994	3.6
148.05150	2.7
149.05997	32.6
153.05443	3.3
159.08029	3.7
160.05182	3.0
161.05984	67.6
162.06757	2.4
163.07539	5.7
167.07057	13.8
171.08041	3.3
172.05194	1.9
173.05890	2.0
175.07619	4.6
177.05473	100.0
178.06062	1.7
179.07014	7.6
180.07877	2.6
181.04982	21.5
181.08569	7.6
187.07529	4.6
189.05385	1.9
191.07002	18.6
192.07831	15.2
193.08614	52.9
205.06516	1.9
207.06422	9.7
209.08113	3.7
215.06963	8.6
217.08652	2.0
221.09500	2.6
235.07616	2.3
249.09142	3.0
251.06996	2.2
262.52756	1.8
264.07889	1.8
276.07794	2.0
277.08569	5.2
291.10114	2.2
295.09589	4.2
305.08194	3.4
309.11240	4.3
314.11752	1.9
322.07959	2.0
337.10736	18.1
339.08621	1.9
341.13718	3.7
369.13373	27.7
370.14105	11.9
371.15091	2.1
470.39996	1.9
579.21204	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	579.283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01871	3.4
55.05507	9.3
57.03426	4.7
57.07067	4.3
57.56794	1.1
58.17308	1.1
60.31733	1.1
62.14263	0.9
65.03915	1.5
67.05502	63.3
69.03416	4.9
69.07063	12.1
70.52070	1.2
70.84827	2.1
70.85161	2.2
71.04970	2.0
71.08638	1.4
73.02908	2.8
73.64832	1.1
75.04465	1.7
79.05486	36.7
81.03416	5.4
81.07053	69.6
83.04977	2.6
83.08610	6.2
85.02914	4.0
85.06517	2.2
91.05479	17.3
93.07037	47.4
94.47589	1.1
95.04970	4.3
95.08599	47.7
97.02864	1.9
97.06543	3.6
97.10175	3.0
98.98462	7.7
99.04451	3.7
105.07028	16.5
107.04966	1.1
107.08582	28.7
108.67614	1.0
109.02885	7.9
109.06547	1.7
109.10152	26.1
110.03670	3.9
111.04430	4.7
111.08058	1.8
113.09657	1.6
117.06993	7.7
117.75481	1.2
118.98395	1.0
119.08574	14.4
121.10133	29.9
123.11707	17.0
126.96887	1.2
127.03936	3.1
129.06992	1.4
131.08568	17.3
133.10127	13.9
135.11671	21.3
137.09621	1.7
137.13240	6.3
139.11172	2.6
145.10127	16.2
147.11664	11.8
149.09673	1.5
149.13252	17.6
151.11182	1.9
151.14810	2.8
153.12674	1.6
155.01056	9.2
159.11682	13.2
161.13251	8.6
163.14787	11.0
165.12782	1.7
169.10106	1.2
173.13243	14.3
175.14861	2.8
176.46925	1.1
177.12808	1.6
177.16423	4.8
179.14343	2.7
187.14827	6.8
189.16386	1.4
191.00122	2.5
201.16418	1.7
205.15840	1.5
215.17993	1.6
233.22565	2.8
243.21072	25.2
245.13800	1.5
245.22589	1.7
261.22128	100.0
261.89114	1.1
262.22455	1.0
263.23724	4.8
279.23193	5.0
285.21600	1.1
301.16122	1.4
303.23370	1.7
304.14804	1.1
312.58823	1.1
317.06503	1.8
317.24551	1.8
323.23370	1.3
335.22012	1.6
335.25778	17.8
337.27167	6.4
353.26871	73.1
354.26843	1.2
369.24158	1.7
389.26883	1.3
425.27377	1.7
427.29272	1.2
443.28192	1.5
451.21460	3.3
469.22693	2.5
487.23044	1.4
561.27173	5.2
561.37518	1.4
579.29059	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01866	1.0
56.05019	0.3
57.03425	0.5
60.04522	0.6
61.02911	0.4
66.04714	0.5
68.99788	0.3
69.03432	3.0
69.07048	0.3
70.06581	0.7
71.42728	0.5
73.02913	0.5
79.05481	0.4
81.03413	3.5
81.07058	0.5
83.04968	0.3
84.04506	0.4
84.08118	0.6
85.02903	5.2
86.09697	0.4
87.00824	2.4
91.05466	0.7
93.07034	0.5
94.04184	1.4
97.02877	1.7
99.02703	0.2
99.04446	1.0
103.05481	0.3
105.01871	1.1
105.07058	0.4
107.04963	0.5
107.08603	0.3
109.02879	2.3
109.06488	0.3
117.01836	0.2
122.03634	3.9
122.95692	0.3
126.15547	0.2
127.03919	2.9
129.01793	0.3
129.91579	0.3
135.29253	0.2
137.05971	100.0
138.06288	0.6
145.04951	0.7
145.10118	0.4
147.04367	0.2
149.05887	0.3
151.07544	0.4
159.02904	1.4
161.05930	0.4
164.03023	0.2
167.03322	0.2
167.07054	0.9
169.84201	0.2
175.07533	0.3
177.05444	0.4
179.03352	0.3
181.05025	0.3
192.07829	0.6
193.04994	0.2
195.05225	0.2
195.06569	2.6
207.06531	0.4
231.05016	0.4
233.08156	0.3
315.05011	0.6
331.11734	31.7
332.12027	0.3
358.74884	0.3
417.11761	0.9
487.18597	0.3
579.22791	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
54.27392	0.3
55.01872	1.3
57.03421	0.6
57.20030	0.3
59.04989	0.3
61.02906	1.0
62.82141	0.3
67.05500	0.4
68.99778	0.9
69.03423	5.3
70.06575	1.0
71.04979	0.6
71.40089	0.4
71.67279	0.3
73.02927	1.6
75.71467	0.3
79.05495	0.5
81.03412	6.9
81.07037	0.9
84.08124	0.6
85.02900	9.0
86.09703	0.5
87.00826	3.7
91.05470	0.8
92.02626	0.5
93.03407	0.6
93.07025	0.7
95.08619	0.4
97.02892	3.1
97.06557	0.5
99.04440	1.8
105.01842	2.1
105.07012	0.4
107.04974	0.9
107.08591	0.6
109.02877	5.3
109.10171	0.6
116.05117	0.3
117.01856	0.7
119.08557	0.6
121.02878	0.6
121.10120	0.5
123.04448	0.4
127.03912	6.5
129.01799	0.5
135.04378	0.3
137.05959	1.1
140.04678	0.9
145.04933	1.7
147.02867	0.5
151.03903	1.0
153.05470	1.1
159.02898	3.0
161.00954	0.3
161.09601	0.3
163.03929	0.3
163.07422	0.3
167.03387	9.0
167.07050	1.3
179.03400	0.4
187.07468	0.3
193.04933	2.4
203.06975	0.3
213.03772	0.5
215.06992	0.9
217.04781	0.5
227.15961	0.3
231.04698	0.6
231.06578	0.8
232.07220	0.5
233.04482	0.3
237.02910	0.4
242.05696	1.1
243.06499	2.5
245.04439	0.8
255.98460	0.3
259.05997	1.4
260.06720	1.7
271.06006	1.8
287.05490	2.2
288.06256	3.2
298.04691	0.4
299.05411	2.6
316.05768	13.2
317.06082	0.3
331.08096	100.0
332.08447	1.6
369.13242	1.0
413.14880	0.4
500.73203	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1342
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
51.24609	0.2
53.03931	0.8
55.01862	0.4
55.05514	0.3
55.18946	0.2
56.96545	0.4
57.03429	0.6
61.02914	0.6
63.50435	0.2
64.68082	0.2
67.05493	0.5
68.99770	0.3
69.03072	0.4
69.03426	5.7
69.07076	0.3
69.35616	0.9
69.36044	1.2
70.06580	0.8
71.04975	0.6
73.02898	0.6
74.57886	0.2
77.14539	0.2
79.05478	0.4
81.03407	3.7
81.07044	0.8
84.08120	0.4
85.02898	4.1
86.09675	0.3
87.00829	4.2
91.03945	0.3
92.02612	0.6
93.03413	0.4
93.07030	0.3
95.04944	0.4
95.08574	0.4
97.02884	2.4
97.10188	0.4
99.00818	0.2
99.04445	1.2
100.11252	0.5
105.01884	1.4
105.07012	0.3
107.04951	1.2
107.08562	0.5
109.02879	2.1
109.10155	0.5
117.01836	0.9
119.08666	0.3
121.02859	0.9
121.06419	0.3
123.04417	0.4
123.08018	0.3
125.06065	0.2
127.03906	3.1
131.04973	0.3
133.06438	0.3
134.16588	0.2
137.06009	1.2
139.11185	0.3
140.04686	0.9
145.04961	0.7
149.05981	0.3
151.03893	1.1
151.07591	0.3
153.05453	1.1
159.02899	3.1
159.04251	0.3
161.06009	0.3
163.03882	0.4
163.05865	0.2
163.07251	0.2
167.03386	9.7
167.07022	1.9
175.03961	0.2
177.05489	0.3
179.03403	0.5
181.05011	0.3
191.07126	0.4
193.04880	0.4
199.07474	0.2
207.06433	0.2
215.07011	0.8
217.04880	0.6
217.08644	0.6
231.04552	1.1
231.06581	0.9
232.07343	0.8
234.06487	0.3
235.07317	0.3
242.05692	1.7
243.06548	2.7
245.04396	0.7
245.08067	0.4
248.08092	0.3
249.09140	0.4
259.05948	1.5
260.06781	1.2
271.06027	2.0
273.04196	0.3
274.04691	0.4
275.09302	0.3
276.07870	0.4
277.08664	0.4
279.06424	0.3
287.05460	2.1
288.06256	4.1
289.11127	0.2
291.10001	0.3
295.22577	0.4
295.80225	0.3
298.04858	0.3
299.05527	3.3
299.08643	0.4
309.11121	0.3
311.13342	0.3
316.05753	13.5
317.05994	0.3
319.58405	0.2
323.09204	0.3
331.08090	100.0
332.08545	1.3
337.10629	0.9
339.08548	0.3
351.12173	0.3
369.13275	1.8
371.14969	0.5
493.21109	0.4
579.22656	1.0
585.54486	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.1
57.03434	6.0
67.05499	34.8
69.07069	14.8
79.05487	23.2
81.07043	34.6
83.08604	9.9
91.05492	11.3
93.07034	34.0
95.04997	5.9
95.08611	39.0
98.21498	10.5
105.07021	8.7
107.08562	24.5
109.10142	6.9
117.07022	4.9
119.08568	9.0
121.10146	10.8
133.10060	4.7
135.11687	21.1
145.10162	23.9
159.22421	3.5
163.11192	33.9
181.12189	8.9
227.12737	59.4
258.23279	4.3
283.15363	38.1
335.25778	100.0
543.36798	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90543	4.0
53.03946	7.1
55.01855	5.4
55.05512	32.6
57.03423	15.4
57.07068	5.5
67.05170	5.6
67.05503	80.0
69.07072	24.9
69.43170	20.2
69.43604	20.7
71.04980	15.4
79.05494	61.0
81.03407	17.2
81.07056	100.0
83.04986	9.5
83.08617	22.8
85.06528	12.1
90.22546	4.0
91.05470	48.4
93.07030	59.0
95.04932	13.1
95.08599	53.4
97.06506	8.5
97.10140	16.2
105.07022	51.6
107.04961	8.6
107.08585	36.5
109.06519	4.3
109.10151	33.3
117.07004	20.2
119.08580	30.7
121.06445	7.1
121.10123	28.4
123.11671	11.4
125.09608	17.7
129.06995	14.7
131.08598	31.8
133.10089	23.8
135.11655	19.2
141.06960	6.4
143.08521	18.9
145.10109	22.5
147.11670	24.3
149.09602	6.5
149.13234	7.1
155.08527	9.8
157.10130	8.6
159.11678	14.4
161.13203	7.9
169.10069	8.9
171.11703	8.5
172.26912	4.6
173.07901	4.9
173.09558	4.9
173.13223	12.1
175.14838	6.4
183.11653	5.6
185.13240	8.5
187.14806	11.4
189.11185	7.7
193.09961	4.9
193.12253	7.1
195.13687	4.3
197.13245	10.5
211.14574	5.0
227.12746	14.5
227.17989	5.7
259.20654	5.9
261.22144	12.3
267.15900	23.1
285.22101	5.0
301.25253	10.2
335.25830	15.5
363.25427	6.1
398.07288	4.8
435.32434	12.9
453.33612	14.4
471.34503	9.1
527.37225	53.9
545.38397	44.2
559.37311	7.4
577.39740	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	577.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	0.3
67.01870	0.1
67.05481	0.1
68.99796	0.2
69.03419	0.3
70.06580	0.2
77.03912	0.1
79.05497	0.1
81.03423	1.0
81.07053	0.2
85.02905	0.4
86.09724	0.2
89.03905	0.2
91.05482	3.5
93.07030	0.1
95.01335	0.4
97.02896	0.2
98.20755	0.2
99.04445	0.1
103.05486	0.2
105.07027	0.2
107.04961	0.2
109.02871	0.3
119.04944	5.2
121.03063	0.1
123.00791	3.8
127.03909	0.2
132.02078	0.3
135.04424	0.5
136.05281	0.1
141.01859	0.8
145.02887	0.1
147.04408	5.1
149.02313	0.1
157.04022	0.5
163.03926	1.7
164.04659	0.1
169.01331	0.2
175.03908	9.4
179.06987	0.5
180.34702	0.1
191.03403	3.9
192.04099	0.3
194.26926	0.1
207.06534	24.4
208.06915	0.3
209.04449	100.0
210.04776	0.9
225.07616	0.2
237.02792	0.1
326.12714	0.1
351.10754	1.8
356.58835	0.1
369.11816	0.9
577.20520	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.3
61.11712	1.3
67.05489	5.5
69.07045	1.4
69.81340	6.7
76.88457	1.0
79.05479	3.1
81.07056	5.6
91.05437	2.0
93.07036	3.0
95.04987	1.3
95.08599	3.8
97.10161	2.3
97.79645	1.1
98.21484	1.9
105.07030	2.0
107.08589	2.0
109.10140	2.7
117.07027	1.8
118.56179	1.1
119.08561	1.9
121.10204	1.4
131.08597	2.1
133.10078	2.5
142.37125	1.1
142.38248	1.2
149.02428	1.8
163.89682	1.2
227.12766	1.3
249.62976	1.3
264.47440	1.2
290.03589	1.1
313.52902	1.1
485.33084	1.4
541.35388	3.0
559.36200	3.8
577.37103	100.0
578.37396	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	577.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
55.01866	1.8
55.05505	7.0
57.03418	1.2
67.05167	1.8
67.05506	26.9
69.07056	5.4
70.38078	0.9
70.56772	2.1
71.04988	1.5
79.05493	14.8
80.22635	0.8
81.07056	24.1
83.04982	2.3
83.08611	2.9
85.06539	1.9
91.05472	19.2
93.07040	17.4
95.04984	2.2
95.08601	14.6
97.06529	1.2
97.10169	1.4
99.04445	1.0
105.07025	16.5
107.04942	1.4
107.08591	16.4
109.06503	1.5
109.10156	19.3
111.08037	0.9
113.06032	1.4
117.07015	3.5
119.08592	6.6
121.10141	6.8
123.11710	4.5
125.09610	1.3
127.07584	1.1
128.06198	1.5
131.08575	6.5
133.10126	29.0
133.11076	1.9
135.11652	5.3
137.09666	1.1
143.08572	2.2
145.10109	4.2
147.11679	2.6
149.13289	2.7
151.11188	14.2
157.58862	0.9
159.11742	2.2
161.09615	4.8
161.13232	1.8
169.12228	4.4
171.11745	1.1
173.13350	2.0
179.10739	4.8
187.14807	1.1
189.11176	1.0
215.12770	6.1
227.12720	1.4
243.21123	1.6
253.14359	4.9
261.22089	6.8
299.14954	4.2
335.25909	3.1
343.72983	1.0
363.25311	2.4
386.01672	1.2
467.31845	1.5
513.35974	2.0
516.46942	1.0
531.36981	3.4
541.35376	2.4
559.36414	2.7
577.37164	100.0
578.37115	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.6
55.01865	6.7
55.05503	22.6
56.96557	16.5
57.03417	5.9
61.02917	7.5
64.16204	4.9
67.05495	41.5
69.03433	32.9
69.07063	37.1
69.37122	4.7
70.06583	11.6
71.04999	15.9
71.59084	5.9
71.59581	5.7
73.02903	8.7
73.06577	5.6
74.05416	5.5
79.05482	19.4
81.03426	23.4
81.07056	92.3
83.04975	6.8
83.08611	15.8
84.08154	7.8
84.96022	6.1
85.02903	66.9
85.06519	18.0
86.09703	7.4
87.00824	18.9
91.05485	20.0
93.07045	32.2
95.04985	10.2
95.08602	100.0
97.02898	20.9
97.06546	6.4
97.10187	12.4
98.97548	6.0
99.04479	12.0
99.08079	10.8
105.01875	12.2
105.07030	24.8
107.04962	12.7
107.08591	46.6
107.76254	5.2
109.02881	23.3
109.10151	65.1
113.09595	6.9
115.03885	6.3
116.98666	7.3
119.08600	11.7
121.10147	29.1
123.04458	8.2
123.11713	38.3
127.03893	36.1
127.11201	11.3
129.10193	5.6
131.08591	6.8
133.10127	10.9
135.11714	19.4
137.05988	9.2
137.13226	23.2
141.12761	7.5
145.04913	7.4
145.06480	9.4
145.10101	7.6
147.04474	7.7
147.11705	9.6
149.13303	23.6
151.14796	16.1
153.12766	14.8
163.14862	23.3
167.07045	12.4
173.05994	15.7
174.06412	10.0
177.16479	9.7
191.17993	7.9
207.01842	6.4
217.19365	7.3
241.11060	7.0
253.11179	17.3
259.12247	12.4
271.12100	28.6
273.25845	11.6
291.26859	52.3
309.17529	14.1
309.27838	89.8
327.14627	10.5
327.18234	11.7
327.28961	12.6
374.69492	5.9
385.15225	6.8
387.91678	5.7
531.24695	20.2
565.92407	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	574.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44531	0.2
55.01879	0.3
59.38440	0.3
63.08574	0.3
65.03944	1.0
69.03426	0.6
69.07064	0.4
70.06597	3.0
71.06943	0.3
71.18146	0.5
72.08147	1.5
77.03972	0.4
81.03424	1.0
84.04490	0.7
84.08153	1.2
85.02895	0.8
86.09712	2.6
89.03940	0.3
91.05479	12.8
94.73087	0.3
95.04980	0.4
97.02881	0.3
99.04468	0.4
103.05418	0.4
105.03373	0.7
107.04945	0.6
109.02901	0.4
110.07191	0.6
116.07035	0.3
119.04942	19.7
120.08122	0.7
127.03905	0.4
127.89106	0.3
129.03331	0.4
129.10246	0.7
132.02094	0.8
132.04437	0.7
132.10196	0.3
133.02881	0.5
135.04408	0.5
136.41527	0.3
142.08693	0.3
145.02817	0.4
145.04919	0.3
147.04399	16.8
149.02339	0.6
150.05466	1.5
157.03952	1.3
157.09862	0.3
160.03976	1.0
163.03908	0.6
163.07399	0.3
175.03905	33.0
177.05489	0.3
178.04985	100.0
179.05321	1.1
179.07007	1.6
180.05452	0.3
188.23495	0.3
193.04897	0.4
206.04475	97.4
207.06516	83.8
208.06909	0.7
305.10623	0.3
351.10681	0.7
368.09732	13.1
574.15057	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	572.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
55.05493	2.1
56.05044	1.5
59.06120	3.1
61.02898	0.7
67.05461	0.6
69.03406	0.8
69.07057	1.6
69.39571	6.5
70.06590	18.2
71.06908	0.6
72.08152	40.4
81.03402	1.7
81.07026	0.7
82.06557	2.8
84.04503	17.4
84.08143	4.2
85.02893	1.9
85.07641	0.8
86.09701	20.0
87.05598	1.0
88.03988	6.4
92.68613	0.6
96.08121	1.2
97.06519	0.9
98.02402	1.9
98.20795	1.3
98.97514	0.9
99.09204	1.2
100.11240	1.0
101.07105	0.7
102.05539	18.9
105.06979	0.7
106.57034	0.8
109.02884	1.0
116.07087	30.5
116.98573	1.0
119.08144	4.1
120.08100	2.5
121.10059	0.7
121.82039	0.7
124.07565	1.8
127.08673	12.8
128.07010	1.6
129.10234	1.6
133.04953	0.7
136.07523	0.9
137.05922	0.8
141.10196	1.3
142.07561	1.0
142.08633	17.8
152.07059	1.1
167.07106	0.8
169.09715	6.3
170.08095	3.3
179.99355	0.6
182.13123	0.7
187.10771	100.0
188.11031	0.7
193.04955	11.6
196.30783	0.7
197.09277	1.0
197.12865	3.3
201.12494	0.9
202.10747	1.1
209.04465	6.2
215.10263	38.8
215.13867	4.5
225.12338	0.8
229.11942	1.4
229.15497	11.0
238.16095	0.9
243.13303	3.6
303.04822	0.7
316.15027	0.9
326.13440	1.0
344.14499	63.2
358.15970	1.1
370.19702	1.4
412.20587	0.9
429.23428	2.0
453.34381	1.1
454.34213	1.4
457.22925	8.6
529.09021	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.0
55.01864	10.8
55.05507	53.8
56.29719	3.0
57.03421	3.6
65.03934	3.6
65.05131	2.7
67.05500	64.9
67.58681	2.5
69.03416	7.2
69.07072	37.4
69.77901	17.9
69.88736	2.5
71.04984	5.2
79.05489	45.6
81.07057	67.1
83.04971	5.7
83.08612	28.9
85.06516	2.9
91.05479	39.6
93.07050	46.5
95.04960	9.7
95.08602	62.3
97.06518	16.1
97.10163	29.7
105.07025	48.3
107.08591	45.2
109.10152	36.2
117.07018	41.3
119.08578	42.0
121.10136	24.4
123.08050	3.2
123.11701	10.1
125.09624	22.4
129.07005	18.8
130.07768	3.3
131.08565	52.7
133.10126	31.4
135.08046	6.0
135.11687	11.7
141.06944	4.3
143.08577	22.6
145.10107	51.1
147.11665	23.5
149.13292	8.5
155.08592	9.2
157.10121	18.0
159.11694	47.5
161.13246	14.3
168.09293	3.8
169.10083	15.9
171.11700	20.8
173.13246	28.9
175.14848	9.4
181.10004	4.6
183.11691	12.3
185.13275	13.0
187.14835	21.9
189.11171	14.2
195.11673	3.5
197.13275	9.0
199.14851	11.7
201.16428	10.7
209.13275	5.4
211.14845	8.4
213.16490	7.8
215.17996	7.8
225.16499	4.6
227.17953	5.2
229.19534	7.3
241.19550	3.3
259.16702	3.3
275.20157	3.8
276.90942	5.4
277.21585	6.3
289.21680	6.8
291.23047	3.2
296.66229	3.7
297.22211	6.0
299.20038	3.4
303.23193	6.6
313.21661	4.8
313.25183	3.6
315.23300	9.6
317.24731	4.7
323.23703	4.0
329.25021	3.9
331.26208	3.8
343.26419	3.9
359.29434	3.8
367.29910	11.7
383.29175	4.9
383.33319	7.4
385.30984	100.0
399.32605	6.6
459.34564	11.3
473.35849	7.0
478.50165	4.0
513.39185	7.1
517.40332	12.3
535.41541	19.8
553.33905	4.9
553.42517	74.6
565.90942	4.5
571.43683	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
57.33606	0.3
67.05505	1.7
69.07059	1.0
69.35983	0.6
69.36385	3.0
79.05493	1.1
81.07066	1.9
81.91930	0.3
89.05978	0.5
91.05466	0.6
93.07053	1.1
95.08610	1.5
96.38081	0.3
107.08587	0.5
107.28575	0.3
109.10151	0.5
119.08578	0.5
133.97879	0.3
237.14633	4.1
271.19073	0.6
284.17239	0.4
293.17197	4.5
301.21527	0.5
323.25009	0.4
325.76883	0.4
335.25821	0.8
357.24240	0.5
462.49170	0.4
565.91577	0.6
571.39697	100.0
572.40271	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	571.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
53.13454	1.8
55.01861	4.2
55.05506	28.2
57.03418	2.8
57.07065	5.5
59.04984	1.7
67.05502	27.6
68.99789	2.4
69.03421	20.4
69.07068	39.9
69.29943	17.4
70.06577	2.2
71.04981	3.7
71.08595	1.9
79.05490	14.5
81.03418	12.7
81.07055	100.0
83.04982	4.2
83.08605	12.7
85.02898	10.8
86.09711	1.8
87.00823	5.0
91.05476	10.7
93.07044	31.2
95.04963	7.4
95.08603	74.6
97.02918	8.6
97.06535	27.6
97.10162	25.4
99.04444	5.3
105.01865	2.0
105.07030	16.3
107.04948	4.3
107.08585	30.8
109.02880	10.0
109.06519	6.4
109.09454	2.8
109.10160	38.8
111.04408	3.3
111.11719	8.1
117.07000	3.7
119.08585	17.4
121.06501	5.1
121.10136	20.9
123.04391	3.4
123.08070	4.9
123.11705	29.0
125.09628	3.6
127.03912	9.4
129.01740	2.2
131.07245	2.2
131.08569	5.6
133.10110	12.6
135.08037	4.2
135.11699	15.1
137.05959	2.6
137.09593	2.7
137.13251	11.6
139.11189	18.5
142.07758	2.1
143.08553	4.0
143.10626	2.9
145.06451	2.6
145.10083	7.4
147.07986	2.9
147.11722	8.6
149.09564	4.2
149.13260	15.3
151.11183	5.9
151.14812	16.0
153.12732	5.2
155.08466	2.6
157.10139	4.8
157.12238	12.8
159.11691	5.3
161.09631	4.4
161.13243	7.7
163.11145	2.2
163.14815	5.4
165.12782	2.4
165.16405	2.0
169.10178	2.5
171.11644	1.9
171.13770	2.2
173.06067	1.6
173.09628	2.5
173.13226	7.1
175.14903	3.0
177.12752	3.3
179.14293	2.2
185.13316	2.2
187.13284	2.5
187.14862	2.4
189.12788	4.0
189.16388	2.5
191.02362	2.4
191.14383	2.4
193.04919	2.7
201.03934	3.5
201.16342	2.5
203.12708	3.0
205.15900	1.9
207.17445	2.2
213.12746	2.3
215.14294	2.6
219.17313	2.9
223.16891	2.6
229.15852	2.8
237.18491	4.7
247.04512	2.3
277.25113	3.5
303.23474	2.3
305.24719	13.9
307.26416	8.2
323.25769	4.2
367.26154	2.0
395.26053	2.4
413.26801	5.3
431.27719	3.4
517.28046	2.5
553.30078	4.9
571.29584	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	570.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.6
57.07074	56.7
63.16083	0.9
67.05506	5.3
68.05826	1.1
69.07064	7.7
69.93185	4.2
71.04962	1.0
71.08630	55.9
73.06567	4.7
79.05494	4.0
80.05795	1.0
81.07059	5.5
83.08617	3.3
85.10181	34.6
87.04459	5.2
89.06031	100.0
91.01870	1.1
91.05482	3.0
92.05788	1.0
93.07047	3.5
94.07368	1.4
95.04959	1.7
95.08620	3.3
97.10172	3.3
99.11730	9.2
105.03920	1.0
105.07027	2.6
107.07073	4.4
107.08576	3.1
111.11724	4.1
113.13277	8.8
117.06982	1.0
117.09133	4.5
119.08582	1.3
120.08810	1.0
121.10033	1.0
125.13248	2.4
127.14844	3.4
130.08623	2.2
131.07050	1.6
131.08574	1.0
133.08601	72.5
145.10199	1.2
147.11685	1.1
152.69856	0.9
177.11220	27.4
183.21144	1.9
200.15117	1.0
221.13910	4.1
227.23741	1.7
239.14850	3.1
265.16281	1.5
271.26395	4.6
283.17535	4.5
315.28891	4.2
327.20200	2.5
371.22714	10.2
509.40305	2.1
553.43091	13.0
570.41895	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	571.311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17371	1.0
53.03947	8.2
55.01867	2.1
55.05507	26.8
56.51176	1.3
57.03421	3.6
57.07061	4.9
59.05020	1.1
61.02929	1.5
62.80976	1.1
65.03922	1.6
67.05500	34.9
68.99784	1.4
69.03070	1.7
69.03425	24.4
69.07064	38.6
69.90147	2.6
69.90553	3.7
70.06580	2.9
71.05002	7.0
71.08627	1.7
74.02415	1.4
79.05058	1.7
79.05489	24.5
81.02976	1.9
81.03413	25.8
81.07053	100.0
83.04978	6.0
83.08618	12.4
84.08121	3.4
85.02901	13.8
85.06533	6.1
86.09696	1.7
87.00819	6.7
91.05467	14.8
93.07040	45.8
93.15061	1.3
95.04957	7.4
95.08601	84.6
97.02882	7.6
97.06520	13.2
97.10163	28.3
99.04443	11.3
99.05554	3.9
99.08049	3.2
105.01825	3.2
105.07025	17.7
106.25317	1.3
107.04952	2.8
107.08587	49.1
109.02869	14.5
109.06500	5.6
109.10147	36.5
111.04420	3.4
111.08071	8.6
111.11721	7.0
117.06990	3.1
119.08562	15.2
121.02816	1.2
121.06519	1.9
121.10136	29.5
123.08087	3.2
123.11703	31.5
125.09635	5.5
127.03910	17.0
129.07018	1.7
131.08545	6.6
133.10121	11.6
135.08058	2.1
135.11676	13.9
137.05963	2.5
137.09575	2.9
137.13235	10.5
139.11182	10.9
143.08545	3.1
143.10625	4.3
145.04947	1.5
145.06110	1.5
145.10124	6.8
146.04488	3.2
147.08022	2.1
147.11667	11.7
149.09595	2.4
149.13248	42.6
151.11166	5.5
151.14813	6.4
153.12711	4.5
157.10110	4.2
157.12222	5.3
159.02934	2.2
159.08040	1.8
159.11682	5.1
161.09639	2.1
161.13214	9.1
163.03978	1.5
163.07169	4.1
163.11198	3.0
163.14824	9.0
163.83661	1.2
165.12711	3.4
167.07025	1.2
167.14322	1.7
171.11681	2.8
171.14005	1.1
173.13196	5.9
175.11156	1.5
175.14774	4.8
177.12695	2.2
177.16391	2.5
179.14262	2.4
185.13132	1.7
187.05974	3.0
187.13203	2.7
187.14711	2.1
189.11221	1.3
189.12793	2.1
189.16304	3.1
191.14265	2.3
193.15883	2.4
197.13235	1.5
199.14812	1.7
201.03995	2.2
201.16321	1.9
203.14359	2.3
203.18048	2.1
207.17339	2.0
209.15352	1.9
213.03952	13.8
213.16309	3.4
215.14232	1.1
223.16899	3.3
229.15906	1.3
231.04970	6.2
231.17448	1.6
235.16933	1.5
237.18359	3.7
247.04295	1.4
249.18521	4.4
259.24225	1.3
269.22525	1.5
275.20175	1.4
277.25153	2.2
287.23605	6.6
289.25067	1.6
303.23282	1.7
305.24741	25.7
307.26230	2.3
323.25821	7.8
395.25867	2.0
413.26917	2.2
431.27957	2.3
497.66534	1.2
517.27930	2.7
535.28864	3.4
553.30219	2.7
571.23541	2.5
571.32306	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	570.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.4
55.05494	0.4
56.05040	0.4
57.07070	7.2
58.06595	1.7
58.06833	0.4
68.05025	0.4
69.07037	0.6
69.41638	3.4
70.06585	16.5
71.08620	2.8
77.03913	0.5
85.10155	1.2
88.07624	21.8
95.04968	0.8
95.08570	0.4
96.81539	0.4
97.47105	0.3
97.48203	0.4
99.85232	0.4
102.09171	15.6
105.03380	14.4
106.65878	0.4
112.66789	0.4
129.53091	0.3
131.04919	0.9
144.45885	0.3
147.04407	0.4
149.02341	11.9
149.05969	66.1
153.06905	0.4
173.37633	0.3
175.03864	0.5
181.06471	1.7
181.88322	0.3
193.04951	10.9
210.21928	0.4
212.23669	0.4
215.21959	0.3
216.43503	0.3
219.06557	1.1
233.73599	0.3
256.26331	53.5
257.26553	0.4
292.24365	0.4
297.07541	13.5
313.27448	0.7
341.10172	57.2
407.77405	0.4
552.33472	0.5
570.34192	100.0
571.34558	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08294	1.5
55.05508	5.2
57.07077	69.9
64.08265	1.6
67.05502	9.4
68.64185	1.5
69.07062	10.9
69.26506	20.0
70.41406	1.6
71.08628	61.2
73.06541	6.2
76.93255	1.5
78.97437	1.5
79.05477	7.8
81.03396	2.0
81.07047	8.5
82.07375	1.6
83.08590	4.8
85.10176	37.1
87.04462	6.7
89.06030	100.0
89.68430	1.7
91.05471	7.1
92.05804	1.9
93.07034	6.5
95.04984	2.3
95.08588	5.7
97.10132	4.3
99.11749	9.1
101.91029	1.6
105.06994	4.8
106.25500	1.5
107.07046	8.0
107.08594	5.2
109.10151	2.8
111.11681	4.1
113.13276	6.0
117.06986	3.1
117.09125	3.6
119.08602	2.7
121.10081	3.4
125.13266	4.8
127.14817	3.8
130.08618	2.8
131.07030	2.6
131.08519	2.8
133.08598	71.8
134.09639	4.9
145.08861	1.7
145.10107	4.1
160.11182	18.3
161.11693	2.2
161.17397	1.7
172.89745	1.7
177.11224	30.2
178.12265	16.1
199.76234	1.9
221.13823	5.3
239.14795	2.4
258.08929	11.3
268.79886	2.3
271.26251	3.2
283.17526	6.0
315.28906	5.5
327.20230	2.8
332.80585	1.9
371.22745	14.2
460.64938	1.7
553.43359	15.7
570.42755	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	569.42
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	8.3
54.21261	2.9
55.01894	3.0
55.05513	22.0
57.03429	4.4
57.07071	2.8
58.35011	2.2
59.64881	2.6
65.03941	3.1
66.32151	3.1
66.60819	2.5
67.05504	81.2
69.07065	22.6
69.26938	11.2
69.27367	20.1
77.42580	2.4
79.05495	70.0
81.07057	81.3
83.04994	4.3
83.08606	9.1
91.05483	74.3
93.07044	79.9
95.04977	16.5
95.08599	58.6
97.06516	4.6
97.10160	6.2
105.07019	33.5
107.04865	2.9
107.08596	40.1
109.06500	4.0
109.10160	21.8
117.07008	19.8
119.08585	31.9
121.10137	38.4
123.08028	5.2
123.11714	4.3
129.07008	7.5
131.08563	26.2
133.10123	23.3
135.11700	14.2
137.09663	4.4
143.08578	10.0
145.10080	14.7
147.11693	13.5
149.13208	5.3
155.08650	3.8
157.10110	4.8
159.11719	8.6
161.13251	6.8
169.10159	4.3
171.11703	6.8
173.13283	11.8
175.14828	3.9
183.11728	3.6
187.14783	3.1
189.16388	6.9
199.14882	7.7
217.15871	6.9
235.17052	9.5
261.22144	7.5
291.19498	5.3
329.15140	2.7
335.25803	4.7
555.68811	2.9
569.41992	100.0
570.42432	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	569.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08015	0.6
55.05494	2.3
57.07074	38.5
60.19386	0.6
63.98784	0.6
64.51154	0.6
67.05502	1.3
69.07060	2.0
71.08628	25.6
71.34333	1.5
73.02901	0.7
73.06551	10.0
79.05493	1.3
81.05594	0.6
81.07057	1.3
83.08624	2.2
85.09651	0.7
85.10178	22.4
87.04466	7.2
89.06027	100.0
91.05470	1.9
91.07632	1.1
92.28249	0.7
93.07030	1.2
95.08582	0.9
97.10159	2.4
99.11724	4.6
105.07051	0.7
107.04980	0.7
107.07069	5.1
107.08597	0.9
109.10095	0.7
113.13291	1.4
114.09101	0.7
117.09135	4.9
119.08562	1.2
130.08612	3.9
131.07074	1.6
133.08595	41.6
155.17947	4.1
177.11220	11.5
179.12799	0.8
199.20599	2.3
239.15004	0.7
243.23166	3.3
270.10513	0.6
281.02856	0.8
346.14072	0.6
371.14636	0.7
371.22565	0.9
569.39734	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.0
53.04174	1.8
55.01870	1.8
55.05507	17.6
57.03424	2.9
57.07069	3.1
60.08429	1.6
62.63386	1.6
65.03925	3.3
67.05502	65.9
69.03389	1.6
69.07066	21.1
71.04980	3.8
79.05492	61.4
81.07053	71.6
83.04973	5.5
83.08622	8.4
85.06525	2.6
91.05476	60.0
93.07037	67.6
95.04964	10.2
95.08602	50.8
97.06515	5.8
97.10154	3.3
99.08070	2.7
105.04548	1.7
105.06374	2.5
105.07027	29.2
107.08587	35.6
109.06538	3.6
109.10149	19.7
111.08031	1.9
115.05432	2.2
117.07017	16.1
119.08568	24.6
121.10137	33.1
123.08083	4.2
123.11726	3.9
128.06163	1.7
129.07036	6.0
131.08554	21.1
133.10136	16.4
135.11687	13.7
137.09615	2.1
141.06989	2.2
143.08572	7.3
145.10091	9.2
147.11688	8.5
149.13229	7.2
155.08551	2.4
157.10159	6.1
159.11729	5.4
161.13246	5.4
169.10190	3.9
171.11674	4.9
173.11961	2.2
173.13332	6.3
175.14795	2.9
183.11749	1.8
185.13362	2.5
189.16393	7.0
199.14835	6.6
201.16084	2.0
216.05882	1.8
216.08005	1.7
217.15924	4.4
229.82446	2.0
235.16949	7.4
261.22220	6.5
291.19647	3.8
291.33435	1.6
313.21924	1.6
330.23502	1.5
333.15228	2.7
335.25888	4.0
356.33270	1.7
459.36108	2.0
477.37280	5.3
495.37973	2.1
546.97522	1.9
551.40991	4.6
569.41992	100.0
570.42291	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	0.9
69.03426	0.9
69.07052	0.5
70.06585	0.8
70.26844	1.4
78.59736	0.5
79.05472	1.0
81.07048	1.2
83.04969	0.5
84.08176	0.5
85.02924	0.5
91.05484	1.1
93.07023	0.6
94.04002	0.4
95.08617	1.0
97.02883	0.6
98.21383	0.8
105.07045	1.6
107.04990	0.6
107.08581	0.9
109.02884	0.5
109.10159	0.5
119.08566	1.2
133.10098	0.5
134.71149	0.4
259.07813	0.8
407.24341	0.9
431.18546	1.0
457.20319	1.5
471.21942	3.5
487.21497	0.8
528.00989	0.4
569.29303	100.0
570.29614	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
55.05511	0.4
57.02776	0.4
67.05496	0.7
69.07053	0.7
70.26165	0.9
70.26541	0.7
71.05004	0.5
71.21059	0.3
73.99718	0.3
79.05497	0.8
81.03442	0.7
81.07046	1.4
83.78093	0.3
84.08111	0.3
85.02874	0.6
90.81271	0.3
91.05445	0.8
93.07043	0.9
95.08615	0.7
105.07034	0.8
107.08584	0.9
109.02877	0.4
109.10149	0.8
114.05031	0.3
119.08561	1.0
121.10150	1.2
125.09611	0.5
127.03985	0.4
127.11155	0.4
131.08531	0.6
133.10135	0.7
145.10144	0.6
146.27763	0.3
147.08049	0.4
151.07625	0.3
155.10489	0.3
157.10072	0.4
157.68588	0.3
159.11603	0.5
161.09628	0.4
185.04179	0.3
187.14833	0.3
199.14911	0.4
203.05263	1.2
217.15909	0.4
241.12805	0.3
253.12932	0.3
259.07953	1.1
271.13678	0.3
285.07559	0.8
285.22119	0.8
303.23154	2.8
308.94028	0.3
335.10895	0.3
349.45215	0.4
407.24097	1.7
440.09293	0.4
457.20239	1.6
471.21936	5.0
487.21738	0.5
569.29279	100.0
570.29639	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68787	1.0
71.44308	2.2
75.68304	1.0
94.92990	2.7
104.39802	0.9
137.25351	1.1
150.95578	21.9
166.95085	1.4
170.80252	1.2
180.96672	2.3
194.94748	1.2
208.96123	11.6
226.86731	4.0
226.97180	100.0
286.98386	3.6
381.07883	8.9
427.44199	1.1
506.08569	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64200	0.4
52.55096	0.4
53.21800	0.4
53.69855	0.4
61.45153	0.4
67.05487	0.4
69.07027	0.5
70.04214	2.4
70.06587	0.6
79.05508	0.5
81.07048	0.6
82.04762	0.4
85.02905	0.6
91.05432	0.4
95.08591	0.5
97.02912	0.5
98.21395	0.6
107.08561	0.4
127.03909	0.8
137.05981	0.5
167.58757	0.4
182.59987	0.3
203.05269	0.9
259.07867	1.4
385.51291	0.4
407.24152	1.4
431.18787	0.5
497.23743	1.3
511.25043	1.3
569.29266	100.0
570.29767	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.1
53.22318	3.7
55.05518	20.6
57.03444	19.2
58.40646	3.4
65.85578	3.5
67.05499	73.7
69.07070	29.8
69.54248	32.7
71.04996	10.5
79.05491	43.3
81.07053	100.0
83.04993	4.6
83.08598	18.5
85.06522	8.0
87.63876	3.9
91.05490	23.0
93.07043	46.9
95.04934	6.1
95.08598	91.6
95.09162	7.5
97.06513	10.1
99.08097	4.3
105.07023	18.4
105.53757	4.6
107.08594	32.2
109.10163	18.9
116.93623	3.7
119.08604	21.6
121.10139	21.0
123.11720	7.1
130.05881	3.9
131.08574	10.6
133.10118	15.8
135.11670	16.6
137.13235	8.3
145.10045	4.9
149.13251	6.9
159.11703	3.9
161.13309	29.8
163.14830	5.2
173.13370	4.7
179.14323	10.4
199.34731	3.9
243.20992	9.7
253.18002	30.2
261.22144	23.0
271.19061	65.7
335.25803	81.2
439.35748	6.1
513.39191	10.7
531.40485	47.7
567.36798	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	567.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01860	1.4
57.03413	0.7
61.02926	1.1
68.99789	1.3
69.03430	7.3
70.06592	5.8
70.08739	2.4
72.08151	1.1
73.02905	1.5
81.03420	6.2
81.07054	0.8
84.08146	1.3
85.02902	7.9
86.09694	2.6
87.00832	5.9
93.07024	0.9
95.04945	0.7
97.02893	3.4
99.04454	1.5
105.01865	3.0
107.04940	0.8
107.08586	0.7
109.02893	3.4
110.07204	0.9
115.03910	0.7
117.01842	1.4
120.08105	1.0
121.02850	0.8
127.03923	6.6
128.04384	0.5
129.10222	1.0
136.07530	0.6
137.02332	5.0
137.05930	0.8
141.10159	0.8
145.04944	2.0
146.04466	1.6
153.01836	2.2
159.02896	5.1
163.03902	0.7
165.01865	0.8
169.01334	4.0
171.02901	0.8
175.03984	0.7
179.03329	0.8
181.01341	1.1
189.05362	0.6
199.03935	1.7
203.03400	1.1
207.02841	0.7
217.04860	2.6
218.05377	0.7
231.04959	2.3
245.04362	3.9
246.04666	0.6
262.18115	0.7
273.03940	4.3
274.04214	1.2
280.19092	1.1
286.17673	1.6
290.04196	0.9
301.03336	4.0
302.03867	2.9
302.85587	0.6
303.05054	1.0
305.10159	1.7
319.04465	100.0
320.04855	1.5
347.45703	0.6
425.22672	0.7
452.22931	0.6
469.25485	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.8
55.01847	0.8
55.05501	1.9
56.31158	0.7
56.96554	3.3
57.03426	0.7
58.99582	6.8
60.04503	0.9
66.88744	0.7
67.05508	7.5
69.03429	5.5
69.07066	18.6
70.02969	0.8
70.06576	2.8
70.06934	0.8
70.73239	1.2
71.04964	1.3
76.02242	5.3
76.02597	1.0
79.05473	1.7
81.03420	7.2
83.04986	7.6
84.04507	1.5
84.08124	1.1
85.02422	1.0
85.02904	13.0
86.09674	1.9
88.03970	1.5
89.03909	6.6
89.41521	0.7
91.05465	1.3
95.04983	4.3
96.04510	1.3
97.02892	7.2
98.05305	0.7
98.06017	1.3
98.97581	2.8
99.02650	1.6
99.04452	9.3
101.04247	42.7
102.00156	0.9
102.03754	0.9
102.05527	0.8
103.03954	6.6
105.00158	0.8
107.04951	1.9
109.02890	12.4
110.06030	1.8
110.07169	0.9
111.04436	1.0
112.07603	3.4
115.02232	0.9
116.98647	1.1
117.03404	6.3
120.08095	1.4
122.02676	0.9
122.05921	0.7
123.04433	0.8
124.07612	1.6
126.05518	2.0
127.02153	5.9
127.03911	11.5
127.05770	2.8
128.06265	0.8
129.03725	2.0
129.10222	0.9
133.02867	1.6
134.99643	1.2
135.04425	14.6
136.07573	1.1
138.05484	2.2
140.07059	12.3
142.06837	1.2
143.00160	1.9
145.02823	9.3
145.04950	2.4
148.07623	1.1
150.05493	3.3
152.05229	0.9
152.07082	1.3
155.01575	1.8
159.03285	1.2
161.01201	3.8
163.03909	71.5
164.04269	4.7
164.07094	0.9
168.04738	1.0
170.06439	4.9
170.07646	0.7
172.04279	100.0
173.04727	0.9
177.00656	0.8
178.05002	1.6
179.03401	2.7
180.04764	2.9
180.06389	0.9
182.08115	5.3
187.02686	0.8
194.08055	1.1
196.06091	1.8
197.07390	4.1
198.05867	10.4
203.02284	1.1
206.08060	2.3
209.55124	0.8
212.07359	1.0
213.00668	1.1
214.05347	15.3
215.08504	9.4
216.06911	1.2
218.08211	1.2
221.03073	2.1
231.01733	1.1
237.00641	2.8
237.02898	2.1
238.05273	1.1
240.06987	1.0
244.06364	8.0
248.09177	1.7
249.02896	1.2
252.97884	1.5
255.01765	3.2
257.09482	1.3
261.09030	11.0
266.10086	0.9
273.02835	4.7
284.11331	2.1
286.07486	1.8
299.04248	2.0
302.12311	1.9
303.10214	1.7
316.08588	0.8
323.10504	1.4
334.09613	2.7
339.07483	1.5
343.17200	0.9
351.10126	1.7
357.08395	1.2
369.11108	1.4
374.07507	2.1
377.13843	7.6
381.08929	1.2
388.10373	1.2
406.11505	1.1
409.02133	1.1
411.05920	1.7
423.14346	46.3
425.07513	3.6
429.07272	1.3
443.08884	1.3
459.18073	0.9
485.15817	1.8
503.16913	2.1
505.18552	8.9
513.15405	1.2
521.18329	4.9
531.16516	2.8
549.17316	6.9
567.18573	51.9
585.11292	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.8
57.03436	2.4
67.05499	3.5
68.99787	2.4
69.03431	11.1
69.29480	6.4
69.29897	16.6
70.06592	22.8
72.08160	14.3
74.02446	2.3
79.05476	2.6
81.03410	10.3
83.05000	2.4
84.04499	6.0
84.08125	10.9
85.02894	14.9
86.06099	2.4
86.09705	13.1
87.00821	7.8
91.05479	3.5
93.07061	2.3
95.08539	3.2
97.02892	5.7
99.04449	3.9
105.01852	3.2
105.07050	4.4
107.08650	2.7
109.02876	7.5
110.07172	3.5
116.07072	5.6
117.01849	2.8
120.08097	7.6
121.06532	4.2
127.03876	13.4
129.10239	6.1
130.08659	2.6
137.02339	6.7
143.00127	2.0
145.04936	3.0
153.01799	2.3
159.02852	7.5
163.03874	2.2
169.01352	3.0
187.66322	2.2
188.10869	2.4
189.05420	3.8
192.21350	2.1
217.04956	20.0
225.60950	2.2
231.05055	6.2
245.04385	23.5
260.12970	3.0
273.03912	47.5
273.06665	3.6
289.03488	3.8
290.03842	6.8
300.05829	3.0
301.03406	100.0
317.02991	7.2
318.03296	11.8
318.06683	6.6
319.04440	45.6
336.68652	2.4
392.16968	2.8
488.24655	2.8
566.22253	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.05507	8.0
57.07071	7.6
58.24869	0.9
59.04998	1.3
65.03928	1.5
67.05504	13.6
69.03424	3.8
69.07064	9.5
69.29630	10.0
77.03944	0.9
79.05495	12.7
81.07052	19.9
81.96523	0.8
83.04974	3.6
83.08607	4.1
85.06544	2.3
91.05479	22.4
93.07047	28.3
95.04965	8.0
95.08040	1.9
95.08605	21.0
97.06528	2.7
100.54305	0.9
103.05480	3.0
105.04584	1.0
105.07028	41.6
106.07818	1.2
107.05011	1.1
107.08599	23.2
109.06514	5.3
109.10154	13.5
109.10823	1.3
115.05462	2.1
116.06218	1.6
117.07005	10.5
119.08576	44.0
121.06517	3.5
121.10137	32.4
121.11025	1.6
123.08070	9.0
123.11714	3.9
125.05966	1.2
128.06174	7.8
129.07014	9.3
130.07797	4.2
131.08560	20.0
133.06523	2.0
133.10127	25.9
135.08075	4.4
135.11673	8.4
137.09586	5.8
139.07550	1.0
139.11182	1.2
141.06960	6.1
142.07765	11.6
143.08551	21.5
144.09341	3.6
145.10114	23.2
147.08061	8.3
147.11696	9.5
149.09666	3.3
149.13312	1.3
151.07523	6.2
151.11252	1.3
153.07027	2.5
154.07826	2.3
155.08551	10.0
156.09331	10.6
157.10121	32.4
158.10860	5.0
159.08076	2.5
159.11696	17.6
161.09651	2.8
161.13287	3.7
163.11201	4.7
165.06993	4.0
165.09117	16.8
166.07831	2.0
167.08578	6.6
167.10628	5.8
168.09363	3.9
169.10120	17.8
170.10976	5.4
171.11696	16.7
172.12364	1.0
173.09624	1.8
173.13261	14.2
175.11279	1.3
175.14856	3.8
178.07773	1.7
179.08592	7.9
180.09421	5.1
181.10121	9.6
181.12238	3.2
182.10918	5.4
183.11688	12.5
184.12471	3.6
185.13260	14.0
187.11176	1.9
187.14812	5.7
188.11955	1.2
189.12790	2.9
191.08719	1.1
191.14301	2.2
192.09366	3.5
193.10165	10.3
194.10884	6.6
195.11688	13.6
196.12485	5.0
197.13255	10.7
198.14113	1.0
199.14792	8.8
201.12840	1.3
201.16365	1.3
203.08482	0.9
203.14337	7.9
205.10121	3.4
206.10869	6.4
207.11740	11.6
207.13821	3.9
208.12453	4.7
209.13255	15.4
209.15134	1.7
210.13939	2.0
211.14798	9.2
213.16460	4.7
215.14369	1.5
217.10146	2.1
217.15894	1.0
218.10954	3.3
219.11749	3.9
220.12413	4.5
221.13246	10.7
221.15411	32.2
222.13992	2.2
223.14819	8.6
225.16444	2.8
227.14366	1.8
227.17889	1.6
229.10091	1.6
231.11646	4.4
232.12500	2.4
233.13261	6.0
233.15448	2.7
234.14011	2.2
235.14865	8.1
236.15637	1.9
237.16402	5.5
239.18004	2.9
241.19511	1.5
243.11618	2.6
244.12521	2.8
245.13243	4.8
246.14056	2.9
247.14798	7.3
247.16963	1.8
248.15593	2.5
249.16357	5.0
250.17169	1.6
251.17972	4.2
253.19565	4.2
256.12592	1.3
257.13239	2.6
258.14111	1.4
259.14890	5.9
260.15717	3.3
261.16388	6.1
263.17963	6.2
265.19522	6.0
269.13489	1.1
269.18842	1.8
270.13919	1.5
271.14691	2.6
272.15665	1.8
273.16400	3.5
274.17307	1.6
275.18051	4.0
277.19492	6.0
279.21140	3.4
283.20633	2.9
285.16309	1.7
287.18008	3.2
289.19626	3.7
295.20627	1.0
297.16412	1.6
298.17068	1.1
299.17722	1.5
301.19604	2.4
303.21225	1.8
311.17731	1.3
315.21124	2.0
317.22665	1.2
321.22232	1.0
327.21167	1.7
329.22815	2.7
331.24280	4.1
341.22693	1.2
343.24158	2.0
347.23810	1.8
357.25598	4.8
359.24133	1.3
365.24768	1.6
385.28894	4.0
395.27234	1.0
407.29132	1.0
411.26776	1.4
425.28711	1.1
473.34082	10.3
485.34241	2.6
509.34290	1.8
547.39172	6.7
565.40405	100.0
566.40540	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1187
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03939	0.9
55.01861	0.4
55.05494	0.3
57.03415	0.5
61.02914	0.5
61.14207	0.2
65.03924	0.2
67.05487	0.2
68.99784	0.5
69.03423	7.2
70.06580	0.8
70.41811	0.7
71.04977	0.7
72.08144	0.3
73.02907	0.6
79.05482	0.3
81.03412	5.3
81.07043	0.3
83.04996	0.2
84.04484	0.2
84.08125	0.5
85.02907	3.8
86.09691	0.6
87.00825	4.3
91.03953	0.6
91.05463	0.3
92.02625	0.7
93.03398	1.2
93.07039	0.2
95.04948	0.2
95.08603	0.3
97.02278	0.3
97.02885	5.8
99.04451	1.1
105.01855	1.9
105.07011	0.4
107.08565	0.2
109.02869	2.3
109.06561	0.2
111.00799	0.2
114.94929	0.2
116.07136	0.2
117.01152	0.2
117.01838	1.0
117.02543	0.2
119.04952	0.2
119.08581	0.3
120.08095	0.5
121.02872	1.0
126.03149	0.4
127.03902	4.1
129.10201	0.3
135.08006	0.2
137.02348	0.3
137.05986	0.3
139.03885	0.5
145.04930	0.8
145.06458	0.2
151.03896	0.7
153.00552	0.4
153.01817	7.4
159.02878	3.1
161.09619	0.2
163.03944	0.2
163.70427	0.2
165.01898	0.8
166.02577	0.2
167.06990	0.3
173.06053	0.2
173.54343	0.2
177.05417	0.4
201.05510	0.9
203.03391	0.4
217.04926	0.8
218.05760	0.7
228.04158	1.4
229.04945	3.4
231.02895	0.4
231.04973	3.2
245.04457	1.2
246.05225	1.9
256.03613	0.3
257.04422	2.6
260.03284	0.3
261.07376	0.3
273.03912	1.8
274.04688	4.6
284.02985	0.5
285.03955	4.6
301.03247	0.2
302.04190	12.3
303.04834	0.4
317.06531	100.0
318.06863	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1191
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03730	0.2
53.03945	1.5
55.01876	1.1
57.03428	0.8
61.02927	0.9
61.47038	0.1
65.03932	0.2
66.72211	0.1
67.01868	0.2
68.99796	0.8
69.03431	5.1
69.43267	0.4
69.43670	0.8
71.04994	0.7
73.02924	1.0
81.03418	6.4
81.07029	0.2
82.04533	0.1
83.01356	0.2
84.08150	0.1
85.02904	8.2
86.09688	0.2
87.00831	4.1
87.04476	0.2
91.03943	0.4
93.03382	0.4
95.04965	0.6
95.08583	0.1
97.02893	3.0
99.04449	2.0
105.01862	2.1
109.02880	4.9
117.01871	0.7
121.02876	0.9
123.00780	0.2
123.04419	1.1
124.01582	0.4
124.82474	0.1
125.02323	0.5
127.03918	6.8
129.01839	0.5
135.04401	0.3
137.02335	2.2
137.05861	0.2
145.02940	0.1
145.04964	2.1
147.02846	0.3
149.02353	0.2
151.03917	0.8
155.04942	0.3
159.02893	2.9
163.03899	0.5
167.03413	3.4
167.07083	0.3
173.06018	0.2
179.03383	1.4
180.04204	0.2
183.18678	0.1
187.07484	0.3
191.03384	0.2
197.04413	0.9
197.06015	0.2
200.04701	0.3
213.03822	0.2
215.07021	1.4
219.02934	0.2
219.31978	0.1
225.05592	0.2
228.04156	0.6
231.05069	0.7
233.08051	0.3
243.06555	3.2
256.03653	0.2
257.04388	0.3
259.05972	0.2
261.07556	0.3
271.06082	1.8
273.03775	0.3
274.04721	3.0
288.06363	0.5
296.34399	0.1
299.05457	0.7
302.04233	2.3
317.06549	100.0
318.07013	1.1
334.09296	0.1
352.48636	0.1
359.07889	0.2
362.41199	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	565.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.6
55.01862	0.7
55.05505	0.7
57.03421	1.1
59.04987	1.0
60.04543	0.4
60.30748	0.4
61.02909	0.5
65.03928	0.6
67.05497	1.0
68.99779	1.0
69.03425	4.3
69.07053	0.7
69.74104	2.8
70.06592	3.9
71.04669	0.3
71.04989	3.3
72.08154	1.9
79.05486	1.1
81.03415	4.3
81.07029	1.4
83.04951	0.7
84.04502	0.5
84.08131	1.8
85.02496	0.4
85.02908	4.4
85.06516	0.4
86.09696	1.7
87.00814	0.6
87.04463	13.5
91.05455	1.1
93.07053	1.2
95.04930	1.1
95.08584	1.0
97.02881	4.0
99.04416	2.5
101.02357	0.9
102.05518	0.5
105.07021	1.4
107.04940	0.8
107.08565	1.1
109.02869	1.9
109.06496	0.6
109.10169	0.9
110.07146	0.7
111.00804	0.6
111.04417	1.1
116.07108	0.5
117.07004	0.6
119.08525	0.9
120.08093	2.9
121.02850	1.2
121.08426	0.5
121.10130	0.5
123.04382	0.5
124.07542	0.6
127.03912	4.1
129.07028	0.5
129.10239	1.1
131.08490	0.7
133.06430	0.5
135.04387	0.7
136.07574	3.4
137.02324	3.5
137.05934	0.7
141.05435	2.3
145.06433	0.6
145.10112	0.6
147.11601	0.5
149.09583	0.4
152.07057	1.1
152.99046	0.4
153.01814	4.4
155.08415	0.5
159.06544	1.3
161.05936	0.4
163.03920	1.2
164.07042	3.4
165.01857	2.2
167.07036	1.7
173.04399	0.5
173.05937	0.5
173.09735	0.5
177.05464	0.5
183.02834	0.7
193.04898	0.5
195.02838	0.4
201.05443	2.6
207.06551	0.5
229.04961	4.3
245.06641	0.5
247.06123	0.5
252.32571	0.4
257.04517	2.8
274.04831	1.0
285.03915	1.6
303.04968	100.0
304.05197	0.6
317.06540	0.5
461.68048	0.4
474.87366	0.4
564.32178	0.6
565.21570	0.8
565.32361	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98454	3.8
53.03933	8.2
55.01871	10.2
55.05512	34.2
55.81644	4.5
57.03428	14.9
67.05506	100.0
69.03418	9.4
69.07063	29.7
70.06570	4.1
71.04980	13.7
71.60240	5.6
73.02894	4.4
79.05487	70.9
81.03413	19.8
81.07052	93.9
82.48037	4.3
83.04972	13.4
83.08603	22.4
85.06519	7.5
91.05470	62.6
93.07042	81.8
94.64896	4.1
95.04951	19.0
95.08598	81.5
95.09158	6.1
97.02878	4.5
97.06510	15.6
97.10146	16.8
105.07024	58.0
107.08590	48.8
109.02843	6.6
109.06531	12.3
109.10142	33.6
111.08066	5.4
117.07051	26.3
119.08575	39.9
121.06489	4.7
121.10152	39.8
123.08083	7.7
123.11729	9.2
125.09630	9.7
128.65245	4.4
129.07011	14.3
131.08571	37.5
133.10136	37.7
135.11722	22.0
136.63612	5.5
139.11174	13.0
143.08565	13.9
145.10147	26.4
147.11690	19.8
149.09648	5.9
149.13255	12.0
155.08513	7.4
157.10109	21.0
159.11646	25.9
161.13252	16.2
163.70837	4.6
169.10126	7.0
171.11687	9.3
173.13274	13.2
175.11203	5.1
177.12666	5.1
183.11699	5.3
185.13312	10.1
187.14888	5.6
189.11281	6.6
193.12209	8.6
197.13251	8.2
203.12717	6.8
227.12793	13.3
246.74229	4.4
259.15430	7.6
259.20502	6.5
261.22144	6.1
267.15866	12.3
275.20081	6.7
287.23669	13.7
289.21573	13.8
301.25305	12.4
316.09799	4.7
317.24710	5.1
335.25778	10.9
349.23901	6.7
435.32349	9.2
453.33679	17.9
471.34875	14.6
527.37170	41.6
545.38397	61.8
563.38770	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73619	0.6
52.20040	0.7
53.03927	1.8
54.46116	0.6
55.01851	1.2
55.05490	0.8
56.96572	0.7
57.03425	0.7
61.01233	0.6
65.03932	1.0
67.05492	1.7
68.99760	0.9
69.03070	1.0
69.03425	13.9
69.07049	1.4
70.06589	7.1
71.04987	1.4
71.59274	0.7
71.59650	0.9
72.08147	2.1
73.02895	1.0
79.05472	1.5
81.03412	7.5
81.07054	2.9
83.04975	0.9
84.08126	2.7
85.02900	8.3
85.06531	1.1
86.09700	2.6
87.00811	2.9
88.99162	0.7
91.05488	2.2
93.03388	1.0
93.07041	1.9
95.04967	1.8
95.08591	2.0
97.02902	7.8
97.06522	2.0
99.04413	1.9
101.02361	0.8
102.58302	0.7
105.01835	2.0
105.07023	2.6
107.04952	1.8
107.08584	1.6
109.02895	4.3
109.06488	0.9
109.10139	2.0
115.05412	0.8
117.06992	1.6
119.03402	1.4
119.08580	1.7
120.08087	1.5
121.02901	1.4
121.06531	0.7
121.10103	1.0
127.03923	7.3
129.10252	1.0
131.04962	1.0
131.08566	1.5
133.10124	1.8
135.08102	0.7
136.07555	1.4
137.05948	2.7
143.08633	0.7
145.02829	1.0
145.04948	1.4
145.10083	1.2
147.08008	0.9
151.03894	1.3
153.01836	7.3
157.10104	0.8
159.02913	1.2
161.05989	1.0
163.03851	1.4
166.05884	0.7
167.07028	2.8
173.02321	0.9
173.04486	0.9
173.05977	1.0
175.07533	0.9
177.05434	1.3
181.04959	1.5
185.13029	0.7
191.06987	1.2
192.07816	1.4
193.04982	1.7
201.05473	1.5
207.06523	1.5
215.07082	0.9
217.04866	1.0
217.08624	1.1
228.04222	1.7
229.04904	2.8
231.04964	2.6
246.05070	1.4
246.98199	0.8
257.04388	2.1
259.09772	1.2
273.03918	1.5
274.04858	4.6
277.08630	1.1
285.03943	4.0
290.65244	0.7
299.10571	0.7
299.20035	1.1
301.03348	1.4
302.04230	12.8
303.05014	7.6
317.06546	100.0
318.06924	1.1
329.06583	0.9
364.57678	0.8
395.07993	1.1
405.49661	0.8
565.18951	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
54.03461	2.0
55.01873	1.7
55.05512	2.5
57.03439	1.4
67.05486	2.1
69.03423	4.2
70.06593	4.9
71.30297	1.5
72.04514	6.3
74.02440	22.9
79.05486	2.9
79.94582	0.8
81.03419	25.7
81.03905	1.3
81.07044	2.4
82.02952	3.9
83.08633	4.1
83.09048	0.8
84.08152	1.7
85.02888	1.4
86.09726	3.1
91.05495	3.0
93.07037	1.9
95.04972	8.7
95.08615	1.9
96.04520	1.4
97.02873	1.2
99.04466	3.0
99.05577	26.0
100.03979	10.3
101.31059	0.8
105.07039	2.3
107.04962	1.5
110.07163	2.5
111.08103	1.7
114.56964	0.9
116.07105	2.2
117.06582	4.4
118.05013	17.7
119.08575	2.5
123.08103	1.2
129.07019	1.7
129.10275	1.1
129.40941	0.9
129.71265	0.9
131.08572	2.2
133.06516	1.0
133.10164	1.4
145.05037	1.3
145.06084	11.2
146.04483	59.7
146.33978	0.9
147.08090	1.0
147.11685	1.1
149.09700	2.0
157.10139	2.0
163.07140	100.0
167.06989	2.4
175.11221	2.5
193.12254	16.6
211.13364	1.8
220.13281	1.4
236.71742	0.9
248.12851	1.2
261.10898	1.9
267.15921	9.2
285.16998	4.6
331.23248	0.8
383.15146	0.9
434.14484	0.8
453.92966	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95479	1.5
53.03933	4.3
55.01869	3.4
55.05511	30.5
56.96530	1.6
57.03439	3.3
57.07069	6.3
61.02903	1.8
65.03937	2.2
67.05500	30.6
69.03422	10.3
69.07066	46.9
70.06577	4.5
71.04978	7.7
79.05498	15.1
79.62787	1.8
81.03421	19.5
81.07053	99.6
83.04951	1.7
83.08620	12.0
85.02908	7.2
85.06530	9.4
86.09747	1.8
87.00820	3.4
91.05470	8.7
92.98449	1.5
93.07047	22.2
93.07566	3.1
95.04961	3.8
95.08604	55.6
97.02880	4.5
97.06538	9.2
97.10159	27.8
99.04444	4.5
99.08079	3.3
103.05448	4.0
105.07011	11.6
107.04939	10.9
107.08593	20.0
109.02885	18.0
109.06499	2.7
109.10149	42.7
111.04407	1.8
111.08084	4.0
111.11710	9.8
113.09632	6.5
115.05441	2.0
119.08579	4.8
121.06496	2.2
121.10138	17.7
123.11700	100.0
125.09601	4.2
127.03925	13.5
127.11157	2.8
131.04932	8.6
131.08617	2.5
132.05736	8.1
133.06485	10.2
133.10112	6.4
135.04443	2.2
135.08090	1.9
135.11699	17.5
137.05980	6.1
137.13237	11.4
139.11186	11.1
141.12758	4.2
145.06432	3.3
145.10120	3.6
147.04396	2.5
147.11699	4.7
149.05988	4.5
149.13249	6.4
151.11192	4.5
151.14880	3.2
153.12743	5.4
157.12241	4.8
159.04436	4.0
159.11688	4.7
160.05196	7.4
161.05980	8.0
161.13280	5.1
163.03917	3.4
163.07497	2.9
163.14819	9.0
165.05402	2.0
165.12755	3.3
167.07027	12.1
169.12216	2.2
173.05966	2.1
173.13268	3.2
175.07567	2.9
175.14771	1.5
177.05461	5.2
177.16313	2.1
179.14369	3.1
180.07762	2.4
183.13678	1.9
187.04015	9.7
187.05571	2.2
187.13287	5.8
187.14801	2.1
191.07024	11.3
192.07796	34.7
193.08583	8.7
195.17445	2.7
196.83345	1.9
198.70067	1.8
199.03870	5.2
201.05458	7.0
203.17989	3.0
207.06528	3.3
209.15428	3.3
213.04008	2.5
218.07256	3.0
223.16905	3.0
231.04938	8.5
233.22711	6.8
243.21065	7.4
251.23685	20.5
261.22122	14.3
277.21542	2.1
279.23160	60.6
295.09607	2.3
297.24240	19.8
321.11349	1.8
341.10202	7.6
353.10062	7.5
353.13824	6.2
371.11169	4.6
491.26538	2.5
509.27670	8.3
519.25293	4.6
527.28198	3.4
563.24664	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	563.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	0.6
54.03466	1.5
55.01866	1.3
55.05491	1.9
56.05042	0.9
56.58028	0.6
57.03424	1.7
59.13422	0.6
67.05495	2.5
68.05027	0.7
69.03428	4.7
70.06583	4.6
71.06120	0.8
71.06947	0.6
71.29002	1.5
72.04507	5.8
72.08145	0.7
73.02908	0.8
73.04897	0.6
74.02436	24.0
79.05468	2.8
81.03414	28.9
81.07040	3.3
82.02946	4.6
83.01342	0.8
83.04960	1.4
83.06165	0.6
83.08607	4.2
84.04491	1.7
84.08145	0.9
85.02903	1.0
85.79823	0.6
86.09697	2.1
91.05468	4.3
93.07032	2.5
95.04961	7.5
95.08639	1.6
96.04473	1.6
97.10146	0.9
98.06052	1.3
99.04437	3.3
99.05570	27.2
99.06222	1.4
100.03973	9.9
101.02348	1.1
105.07050	3.2
107.04942	2.0
107.08599	0.7
109.06441	0.6
110.07148	1.6
111.08103	3.0
115.05475	0.6
116.07049	1.8
117.06590	5.3
118.05013	16.7
119.08578	3.9
120.08152	0.8
121.10107	1.4
128.03432	1.0
129.06966	1.8
129.10236	1.2
131.08549	1.9
133.10133	1.0
142.07755	0.9
145.06076	12.7
146.04474	62.0
147.08112	0.9
147.11700	1.3
149.09573	1.8
157.10094	2.3
163.07129	100.0
167.07156	0.7
175.11163	3.4
184.13321	1.0
193.12233	18.2
204.46465	0.6
211.13211	1.2
220.13283	2.1
248.12790	1.7
254.30276	0.6
261.10858	1.5
266.13898	1.8
267.15878	11.5
285.16946	5.0
327.41479	0.7
349.14539	0.7
352.27179	0.6
385.19891	0.7
401.15692	0.8
403.20587	0.7
421.21457	0.7
429.22327	1.1
447.23349	0.8
489.91016	0.7
547.00006	0.9
563.20190	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	563.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57343	0.8
65.60463	0.9
67.05494	1.1
69.03426	1.1
69.48415	1.7
69.48743	7.9
70.06587	1.0
74.71951	0.8
79.05488	3.7
81.07052	2.8
84.08117	0.8
85.02901	1.6
88.19152	0.8
91.05465	5.9
93.07038	1.8
94.04178	3.9
95.04958	2.3
97.02881	1.1
103.05457	1.9
105.07043	2.3
107.04948	37.2
109.06520	2.3
115.05418	1.6
119.04929	1.0
119.08569	1.3
121.06504	1.9
122.03663	8.5
123.04414	1.2
124.05193	1.0
128.06209	1.0
129.07010	1.6
131.04903	1.1
131.08577	0.9
133.06468	9.2
137.05971	99.0
141.07001	2.0
144.05673	1.3
145.06448	0.9
147.08104	1.7
149.05968	6.4
151.07510	10.2
156.05698	1.5
157.06474	2.6
158.07271	2.2
159.08061	2.4
161.05989	1.8
163.03882	1.6
163.07503	1.4
167.07045	17.3
169.06412	2.0
170.07256	6.9
171.08101	1.6
173.05984	1.2
175.07480	1.6
177.05389	0.9
181.08595	1.8
186.06790	3.5
187.07544	3.2
188.08278	1.6
189.07056	2.1
189.09068	1.0
190.07784	3.2
191.07011	1.6
191.08582	1.0
193.05016	2.1
198.06880	1.6
199.07491	2.3
200.08298	1.9
201.09120	9.8
202.07793	2.4
203.08569	6.2
204.09375	2.5
205.06560	1.5
205.08453	1.6
205.10155	3.0
206.07381	1.1
207.08127	2.3
215.06870	1.0
215.08594	5.6
216.07809	2.4
217.06621	1.5
217.08643	4.1
218.07240	10.7
219.08061	3.4
219.10112	1.7
220.08676	1.0
221.09622	3.3
229.08571	5.3
231.08022	4.2
231.10121	22.9
232.08821	5.9
233.06067	1.1
233.09587	14.9
234.06735	1.9
235.07524	8.7
235.11188	1.2
241.08626	1.1
243.08015	2.1
245.05943	1.1
245.09622	1.2
246.04604	0.8
246.06604	5.1
247.07590	6.1
248.08315	2.7
249.09187	6.0
250.09914	3.3
251.10312	0.9
253.08633	1.2
259.07596	2.4
260.08380	8.4
261.09116	17.1
261.11746	0.8
262.06198	2.0
262.09879	2.5
263.07068	8.9
263.10342	4.0
264.07629	1.4
265.08524	1.7
267.10138	1.4
274.06219	1.2
275.07111	2.6
275.10623	2.6
276.07819	2.0
277.08575	9.3
278.09372	13.9
279.10110	3.0
280.07410	1.7
281.08191	1.3
285.07492	2.7
288.07877	1.9
289.08582	7.1
290.09378	2.8
291.06586	3.7
291.10138	4.5
292.07632	1.7
292.10931	5.1
293.08438	1.3
293.11639	11.4
295.09674	3.4
295.13010	1.2
296.10422	1.1
300.09903	2.1
301.10706	1.1
303.10306	1.5
305.08081	2.1
306.08813	7.3
307.09641	6.8
308.06778	3.5
309.11142	1.4
310.11798	1.0
315.08746	1.1
320.10406	2.5
321.11203	21.7
321.14935	1.4
322.11856	2.8
322.88873	1.0
323.09097	13.0
323.12787	3.2
325.10574	1.3
325.14200	1.6
327.12280	1.3
336.24612	0.9
338.11560	10.8
339.12436	1.1
340.12906	1.5
341.13678	1.4
353.13815	100.0
354.14264	1.0
355.15353	25.5
371.15060	2.1
519.69360	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
57.89643	0.8
69.85020	1.2
69.85438	2.9
74.05022	0.9
78.04712	3.7
79.05498	7.1
79.13177	0.7
81.07041	0.7
83.94767	0.7
91.05473	1.7
94.04153	0.8
95.04955	1.6
96.05759	1.2
98.21381	1.4
99.90633	0.7
103.05468	3.8
104.58066	0.9
104.81478	0.8
105.07024	3.7
106.04144	1.7
107.04949	17.2
115.05444	1.5
118.04158	3.0
121.06518	1.2
122.03618	0.9
123.04438	7.8
124.05215	4.1
125.06016	1.1
128.06219	2.5
129.06926	0.9
130.04137	1.3
131.04922	6.9
132.05696	1.3
133.06458	3.4
137.05969	2.5
141.06981	1.0
142.43272	0.8
145.06480	1.4
147.04417	1.7
147.08055	1.0
151.03867	1.7
152.04652	2.5
156.05714	0.9
157.06509	1.2
159.08023	1.5
161.05951	5.0
167.07037	100.0
171.08052	2.4
173.05931	1.2
175.07594	1.9
176.04712	3.1
179.07021	1.2
184.05214	2.5
186.06749	0.8
187.07539	0.8
189.07080	2.9
190.07779	4.1
191.07014	27.1
199.07526	15.7
202.07835	2.5
203.08521	4.6
204.09358	1.3
205.10146	1.8
207.07991	1.8
215.08493	5.0
218.07239	8.7
218.86220	0.8
219.08041	4.6
229.06496	1.4
230.07289	0.8
231.08034	2.5
232.08875	3.9
233.06013	1.0
233.09576	11.3
235.07478	3.6
242.07310	0.9
243.08040	2.2
244.08922	1.2
246.06773	5.2
247.07642	3.3
248.08299	1.1
249.09138	2.8
250.09895	1.8
257.05948	1.4
258.06635	1.2
259.07529	2.0
260.08362	4.1
261.09122	15.5
262.06265	0.9
262.09860	1.9
263.07117	5.4
264.07663	0.9
274.06400	3.6
275.06976	3.1
276.07849	1.1
277.08514	2.6
278.09372	6.2
279.09891	1.0
288.07773	1.4
289.08591	25.7
290.09320	5.1
291.06766	1.4
291.10156	1.9
292.07309	0.9
293.08524	1.1
293.11676	6.0
295.09607	0.9
303.10071	1.3
305.07990	1.2
306.08875	7.1
307.09607	3.3
321.11188	54.5
322.12057	4.3
323.09097	1.9
325.14389	2.8
338.11545	1.8
353.13806	36.1
413.73486	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04953	1.9
55.53555	1.9
55.72760	1.9
56.23568	2.0
67.05498	3.0
69.07069	2.3
69.87090	9.9
74.59605	2.2
78.04697	4.4
79.05466	7.5
91.05462	3.2
95.04972	4.4
97.02902	2.2
98.21478	2.7
102.16149	2.5
103.05457	4.2
105.06992	7.0
107.04957	21.7
115.05439	2.7
117.06930	2.9
119.04870	3.0
121.06495	4.5
123.04383	5.0
124.05196	2.6
130.04144	2.2
131.04921	7.3
133.06485	4.4
137.05988	17.9
147.04324	3.4
147.08080	2.4
161.05925	5.9
163.96439	1.9
167.07039	100.0
168.05751	2.3
175.07503	2.1
176.04622	5.5
186.06787	3.4
187.07538	6.3
189.07040	3.3
190.07768	4.6
191.07030	25.6
191.08568	3.3
199.07556	15.9
201.09137	3.9
203.08511	5.2
205.10132	3.7
215.08543	7.2
218.07271	11.9
219.07945	3.1
229.06544	3.2
231.08038	5.8
231.10126	3.7
232.08664	4.2
233.09621	15.2
235.07597	6.8
243.08086	3.2
246.06779	7.6
247.07481	5.9
249.09186	5.1
250.09814	3.3
260.08417	4.5
261.09143	21.2
263.07001	7.1
264.07620	2.8
265.08490	3.0
274.06259	3.1
275.07050	2.6
277.08691	6.7
278.09375	11.5
283.46204	1.9
289.08594	29.6
290.09213	6.1
291.06769	3.6
291.10114	4.7
293.11569	10.5
305.08270	2.4
306.08798	12.3
307.09534	4.9
308.60840	2.1
321.11188	61.7
322.11993	3.9
323.09109	4.2
338.11346	5.4
353.13821	71.0
355.15399	5.6
388.09052	2.2
428.32806	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69285	1.3
53.03935	1.6
55.05480	1.3
56.96569	1.9
58.85665	1.3
67.05488	1.5
69.03418	1.7
69.07072	1.5
70.06581	2.2
71.60165	1.3
78.04698	1.4
79.05470	4.4
79.70715	1.3
80.38111	1.2
81.03405	3.3
81.07024	1.9
85.02921	1.8
87.42881	1.5
89.03925	1.4
91.05459	4.0
93.07031	3.2
94.04211	1.6
105.07006	3.8
107.04952	41.9
119.04947	2.6
121.06510	9.5
122.03651	2.5
123.04420	2.4
124.05206	1.4
129.06921	1.6
131.08537	1.2
132.05661	1.4
133.06496	10.3
137.05972	39.6
139.59610	1.3
141.07016	3.0
145.06462	1.6
147.04457	1.4
147.08029	2.9
149.05997	3.4
151.07497	6.4
156.05722	1.5
157.06496	1.6
158.07291	2.0
163.03917	1.3
167.07031	34.1
175.07489	3.5
177.05591	2.2
181.08582	4.8
186.06758	2.6
187.07555	4.3
189.07141	1.8
189.08943	1.7
190.07790	1.9
191.08557	1.7
198.06816	1.7
199.07584	2.5
201.09109	20.0
203.08513	3.4
205.10106	2.5
207.08090	3.3
215.08556	3.1
216.40149	1.3
217.08612	3.5
218.07350	7.8
219.08017	4.8
220.08958	2.0
221.09647	1.7
229.08537	1.7
231.08022	3.1
231.10204	4.8
232.08867	4.3
233.09621	9.0
234.06685	1.5
235.07449	8.2
235.31998	1.4
237.09113	1.9
239.07066	2.9
241.08649	2.4
243.08113	2.6
245.09755	1.3
246.06709	4.7
247.07559	4.5
248.08296	2.6
249.09126	4.8
250.09863	3.8
251.11037	3.0
259.07742	2.3
260.08276	6.8
261.09076	20.5
262.06741	1.4
262.09839	4.6
263.06998	11.7
263.10663	2.2
264.07742	2.5
265.08374	1.5
269.12369	13.9
275.10568	2.1
277.08539	8.7
278.09348	17.7
279.10052	3.2
280.07126	2.0
285.07581	6.3
289.08624	7.9
290.09253	3.0
291.06711	2.4
291.09973	4.5
292.07574	2.1
292.10840	2.6
293.08185	2.1
293.11676	19.5
295.09711	3.3
296.10291	1.7
300.09973	7.2
301.10580	2.9
305.07877	2.3
306.08865	13.2
307.09637	8.8
308.06711	4.2
309.11148	2.7
315.12265	2.8
321.11179	37.3
322.11853	4.9
323.09113	14.9
323.12537	2.4
337.10373	2.5
338.11478	9.2
349.18304	2.1
353.13821	100.0
355.15448	19.0
371.14777	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	563.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76577	1.1
53.03935	2.1
55.05507	2.4
56.05024	1.3
57.03426	2.0
60.49768	1.2
61.02925	2.2
62.09485	1.0
65.03937	1.3
67.05501	1.6
69.03416	10.2
69.74132	8.1
70.06586	9.5
72.04518	2.3
72.08147	2.7
73.02906	2.0
74.02438	11.8
78.04710	2.6
79.05488	8.3
81.03424	19.8
81.07062	3.0
82.02933	2.4
83.04990	1.8
83.08604	1.8
84.04495	2.3
84.08138	3.6
85.02896	17.8
86.09692	6.1
87.04478	1.4
90.24025	1.2
91.03932	1.7
91.05476	7.3
93.07043	2.7
95.04972	6.3
96.06879	1.2
96.30179	1.0
97.02883	6.7
98.97606	1.2
99.04453	3.9
99.05565	15.3
100.03989	4.9
105.07025	3.1
106.04175	1.9
107.04951	14.3
107.08601	1.7
109.02879	2.2
109.06548	1.4
110.07172	3.4
111.04453	1.1
115.05447	3.9
116.06289	1.4
116.07082	1.5
117.06606	1.7
118.05017	9.5
119.04955	3.1
119.08579	1.3
120.08070	1.4
121.06512	3.2
123.04420	7.3
124.05209	3.4
125.06008	1.6
125.07092	1.8
126.56231	1.2
127.03903	3.5
128.06204	5.5
129.07004	3.7
130.93457	1.1
131.04971	1.6
131.08580	3.7
133.06490	1.8
135.04384	1.3
136.07628	2.1
137.05974	2.5
141.06985	2.6
142.07765	1.6
143.08566	2.6
144.05685	3.0
145.04996	2.5
145.06155	6.3
146.04485	28.0
147.04388	6.0
151.03909	1.3
152.04645	1.7
153.07016	2.2
155.07045	2.6
156.05727	9.8
157.06496	4.2
157.10117	2.2
159.08057	3.5
161.05992	2.9
163.03972	2.0
163.07132	56.4
166.06242	1.3
167.07034	100.0
169.06441	1.5
170.07286	4.8
171.07834	10.4
177.05490	1.6
179.07043	3.4
181.08627	7.0
181.09947	1.3
184.05162	1.7
186.06830	1.6
187.07533	8.2
188.08337	1.1
193.08577	3.8
193.12256	8.5
194.92639	1.3
195.06441	1.2
198.06712	1.0
199.07576	8.3
202.06242	3.0
202.48320	1.1
205.08572	5.9
207.08228	1.2
215.07060	3.8
216.07835	2.0
217.08578	32.9
219.08095	3.0
219.10158	1.5
229.08688	2.7
231.08148	1.2
231.10146	30.8
235.07608	1.6
236.08081	1.3
247.07440	2.5
247.09682	6.0
248.08276	1.3
249.08983	1.4
251.10329	1.3
261.08990	1.8
263.10889	1.2
264.07724	2.6
265.08777	1.8
267.15924	4.7
276.07828	2.4
277.08505	2.1
278.09418	1.5
279.10092	2.6
285.16956	3.6
289.08536	1.4
291.10190	2.6
291.94330	1.4
292.07446	1.9
293.08218	1.7
293.11401	1.6
307.09628	2.7
308.10504	1.5
315.08566	1.8
319.09698	2.0
321.11127	2.6
323.09232	1.2
323.12775	3.0
330.10828	2.5
331.11774	1.6
337.10547	2.1
339.12180	2.5
351.12222	3.6
353.10052	2.6
353.13843	3.1
357.13300	1.2
368.12567	3.5
371.14932	2.1
383.14862	24.8
383.20340	1.5
383.21964	2.0
385.16354	14.5
401.15881	5.0
545.26898	2.3
563.28571	5.2
591.73260	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.4
53.03944	3.8
55.01872	3.0
55.05256	2.2
55.05505	23.5
57.03426	3.8
61.02941	1.2
65.03934	5.6
67.05500	84.5
69.03419	3.0
69.07065	18.3
70.66788	1.3
71.04585	2.8
71.04987	55.9
77.03934	1.8
79.05487	62.6
81.07053	100.0
83.04966	10.7
83.08612	12.1
85.06547	5.2
91.04893	1.9
91.05013	1.0
91.05475	64.8
93.07038	65.7
95.04967	10.3
95.08601	35.4
97.06535	9.4
97.10163	2.9
99.08086	2.6
105.04533	1.2
105.07025	32.8
107.08586	36.8
107.09283	2.1
109.06537	3.5
109.10149	15.9
111.08091	5.1
115.04285	1.4
117.06998	9.6
119.08581	14.7
121.10130	28.0
122.34312	1.2
123.08096	2.5
123.11690	21.4
125.09627	1.4
129.07071	1.3
130.07808	1.2
131.08566	14.2
133.10118	34.1
135.08125	1.6
135.11679	16.0
143.08624	1.3
145.10098	6.8
147.11723	5.1
149.09528	1.2
149.13242	15.1
151.11169	16.5
157.10201	1.7
159.11719	10.5
160.62372	1.1
161.13278	4.5
169.10150	1.7
171.11737	2.2
173.13335	5.7
177.12772	5.0
183.13794	20.4
185.13199	1.8
187.13338	2.7
187.14873	2.3
195.13853	5.7
197.13460	1.3
227.16478	2.5
243.21153	2.0
253.17978	1.6
261.22208	4.3
269.17462	2.4
283.19070	3.2
285.17072	4.5
317.24768	2.2
335.25815	1.9
361.27557	3.1
363.25461	3.4
437.34363	2.2
517.38855	29.1
529.38959	16.3
561.41565	75.1
564.52472	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94936	1.6
52.80874	1.2
53.03938	5.3
55.01867	3.7
55.05502	22.2
57.03429	4.8
57.07073	1.6
65.03935	4.5
67.05499	88.5
69.03434	2.8
69.07062	16.2
71.04591	2.3
71.04987	49.1
79.05488	61.0
79.28742	1.4
81.03391	1.6
81.07052	100.0
83.04986	9.8
83.08614	10.8
85.06519	6.8
91.05473	58.9
93.07037	55.6
93.71668	1.3
95.04974	8.3
95.05550	1.2
95.08600	44.0
97.06541	8.2
97.10191	2.8
98.20763	2.6
99.08076	2.4
105.07027	40.6
107.08591	35.5
109.06506	2.9
109.10158	16.8
111.08081	5.4
115.05383	2.0
117.06996	13.5
119.08566	18.4
119.20576	1.3
121.10137	25.2
123.11694	17.8
125.09652	2.3
129.07018	3.6
131.08556	19.4
133.10130	34.3
133.11200	1.7
134.50114	1.4
135.08096	1.4
135.11684	17.4
137.09576	1.7
143.08524	3.7
145.10132	10.4
147.11676	9.4
149.13239	14.4
151.11177	14.8
157.10120	3.4
159.11661	15.5
161.13246	7.4
163.11140	2.6
163.14801	2.4
169.10075	2.1
171.11739	3.6
173.13297	5.8
175.14807	2.0
177.12773	3.9
179.14293	2.0
181.12236	1.7
183.12286	2.2
183.13792	14.7
185.13303	1.8
187.13283	2.3
187.14824	2.9
195.12114	1.5
195.13850	4.0
227.12837	2.0
227.16371	2.5
236.66811	1.4
241.19673	1.5
253.17981	4.2
257.17291	1.6
261.22189	3.7
283.19119	1.8
285.17053	3.9
317.24942	2.1
335.25946	4.9
349.27411	1.8
358.43988	1.5
361.27625	1.7
363.25299	4.6
437.34259	5.9
511.37921	3.8
517.38812	22.3
529.38910	33.4
561.41400	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.6
55.01859	2.3
55.05504	19.8
57.03441	3.0
57.07070	2.2
59.04983	2.0
62.19283	1.3
65.03939	4.7
67.05497	92.0
69.03423	2.6
69.07060	18.0
71.04585	2.8
71.04987	55.7
79.05486	61.3
81.03403	2.4
81.07049	100.0
83.04969	11.7
83.08627	9.9
85.06555	5.9
91.05471	68.0
93.07031	64.3
95.04965	11.0
95.08599	38.3
97.06535	8.0
97.10141	2.6
98.21505	3.6
99.08114	2.5
100.87255	1.4
105.07018	33.2
107.08581	33.8
109.06507	3.7
109.10149	17.7
111.08092	3.3
115.05412	2.3
117.07014	10.9
118.66450	1.5
118.68549	1.6
119.08554	15.6
119.09237	1.6
121.10121	22.2
123.08067	3.1
123.11690	23.3
125.09605	1.7
131.08560	14.2
133.10110	33.8
135.11674	14.7
145.10083	7.6
147.11674	6.3
149.13211	14.3
151.11171	13.7
151.20010	1.7
159.11667	16.0
161.13263	5.5
167.14351	2.1
173.13280	2.7
175.14914	1.9
177.12802	4.5
183.13792	22.1
187.13280	5.1
187.14827	2.4
195.13840	5.2
213.14778	1.8
227.16467	2.1
231.56320	1.5
254.70699	1.9
261.22168	5.4
269.17346	3.5
283.19040	4.4
285.17072	5.3
338.16138	1.8
356.66547	1.7
361.27081	3.1
363.25412	4.8
517.38788	33.5
529.38910	14.2
561.41382	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61578	1.3
53.03937	4.2
55.01872	1.6
55.05298	1.6
55.05510	19.4
57.03432	4.0
57.07065	2.8
59.08319	1.5
59.85936	1.3
65.03931	2.7
67.05502	59.5
69.03434	1.8
69.07065	16.4
70.64172	4.3
71.04988	19.0
79.05048	2.9
79.05492	37.7
79.05959	2.1
81.07053	53.5
83.04975	6.9
83.08615	8.6
85.06536	5.0
91.05483	42.9
91.06069	1.8
93.07039	40.6
95.04985	8.3
95.08600	26.3
97.06538	5.5
97.10163	4.3
102.48627	1.7
105.07023	25.0
107.04935	2.2
107.08593	25.0
109.06519	5.5
109.10146	22.5
111.04449	1.6
111.08082	3.8
117.07008	11.0
119.08570	18.5
121.06493	2.0
121.10111	10.5
121.85087	1.3
123.08086	3.2
123.11722	9.3
125.09628	2.2
128.06232	2.1
129.07014	5.5
131.08546	14.5
133.06511	2.1
133.10126	21.3
135.08061	4.5
135.11702	11.1
137.09607	3.3
143.08588	6.4
145.10097	12.6
147.08072	1.6
147.11647	7.9
149.09561	3.4
149.13261	6.4
151.11208	5.9
155.08549	2.0
157.10133	4.9
159.11705	10.3
161.13260	6.4
163.11215	2.3
163.14790	1.6
169.10138	1.6
171.11754	4.6
173.11861	3.1
173.13298	5.4
175.11153	2.6
177.12743	2.5
183.11696	2.2
183.13797	4.8
185.13312	4.0
187.11292	1.9
187.13335	1.5
187.14838	2.5
195.13783	1.6
197.13374	1.8
199.11261	1.6
201.12805	2.1
209.11682	7.3
211.14970	1.7
227.12805	3.7
227.16470	2.1
229.14415	5.8
241.19530	1.8
256.05032	1.6
261.22162	4.7
271.20651	2.8
273.22180	3.7
283.15485	3.6
289.21768	2.9
299.20111	2.1
301.21768	2.9
315.23172	7.3
317.21118	4.4
335.25900	1.9
337.62488	1.6
373.23956	3.4
375.25293	1.8
433.30902	3.0
451.32211	4.4
451.74466	1.7
469.33170	4.8
487.34448	3.5
515.36987	2.3
517.38995	10.7
525.36127	7.8
529.39081	4.8
543.36731	34.1
561.39740	100.0
562.72437	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.01868	6.0
55.05510	24.4
57.03424	8.8
57.07077	3.2
62.63354	2.3
65.03926	4.6
67.05501	93.3
69.03409	2.2
69.07069	24.9
69.36597	4.2
69.37011	18.0
71.04986	18.8
79.05489	49.6
79.05955	2.6
81.03418	3.0
81.06576	4.4
81.07052	78.1
83.04977	12.5
83.08627	15.2
85.06554	7.2
91.05473	56.6
92.76802	2.0
93.07039	58.8
95.04971	15.7
95.08604	38.8
97.06535	8.7
97.10162	7.1
99.08044	3.1
103.05449	3.2
105.07025	41.1
107.04944	3.6
107.08582	35.9
109.06528	8.9
109.10152	37.4
111.04436	5.6
111.08063	4.5
115.05418	3.7
117.07029	17.7
119.08580	30.1
119.55818	2.4
121.06487	5.8
121.10144	24.2
123.08071	7.2
123.11684	13.0
125.09649	5.5
128.06221	3.0
129.07010	9.3
131.08553	20.1
133.06476	5.1
133.10133	37.1
133.11082	3.4
135.08058	8.9
135.11676	18.6
137.09607	7.0
141.06969	2.6
143.08589	9.1
145.06483	2.6
145.10130	20.2
147.08063	7.7
147.11684	20.0
149.09639	7.6
149.13252	5.8
151.11211	7.8
153.09077	2.2
155.08571	6.1
157.10098	11.4
159.08083	2.8
159.11662	19.8
161.09648	5.5
161.13235	11.0
163.11194	9.0
163.14920	2.9
169.10164	8.2
171.08041	2.5
171.11717	12.3
173.09613	5.4
173.11855	3.9
173.13272	8.9
175.11206	5.5
175.14914	3.3
177.12769	3.3
183.11736	5.0
183.13693	3.7
185.13295	7.7
187.11223	2.9
187.14838	6.5
189.12801	3.1
195.11670	3.7
197.13307	4.7
199.14880	3.5
203.14389	3.5
207.13681	2.8
209.11743	15.2
209.13371	2.4
227.12799	5.6
227.16394	3.4
229.14378	8.5
241.19586	2.5
253.19626	2.3
259.20630	2.4
261.22137	4.2
271.20392	2.4
273.22083	11.4
275.20239	2.7
277.21674	2.3
283.15149	2.9
289.21738	4.9
297.22284	3.3
299.20236	3.7
301.21674	2.6
315.23166	20.2
317.21121	8.1
317.24530	3.1
331.22620	3.1
333.24466	4.4
356.40891	2.4
363.25217	4.9
373.23801	7.9
389.26999	7.3
415.29764	2.6
433.30917	7.5
451.31876	11.9
469.33032	9.9
487.34290	11.5
511.98804	2.2
515.37622	4.5
517.39160	6.6
525.35736	15.1
543.28253	3.4
543.36774	84.9
561.39301	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.1
55.01866	12.4
55.05261	3.7
55.05508	42.2
57.03431	8.2
57.07058	2.6
65.03937	6.8
67.05502	100.0
69.03419	3.6
69.07063	26.8
71.01331	3.1
71.04981	8.5
71.12843	5.2
79.05491	71.7
81.03422	10.0
81.07055	86.3
83.04970	19.4
83.08628	19.0
85.02918	3.7
85.06542	7.1
91.05473	59.9
93.07037	78.4
95.04964	13.4
95.08597	56.9
97.06509	14.4
97.10155	15.2
105.07034	33.7
107.04945	10.0
107.08589	45.2
109.06518	6.8
109.10148	36.7
111.04472	20.1
111.08092	7.7
117.07008	23.3
119.08585	38.7
121.06526	6.3
121.10142	40.1
123.08089	6.9
123.11716	5.3
125.09631	14.1
128.06200	2.9
129.07010	7.3
129.87451	2.4
131.08571	34.4
133.06532	3.3
133.10104	26.7
135.08035	5.1
135.11688	30.8
137.09665	3.4
137.13222	3.3
139.11134	5.0
140.13611	2.5
143.08533	9.9
145.10114	30.3
147.08009	5.3
147.11699	17.0
149.09598	8.2
149.13264	9.4
151.11201	3.1
153.12723	10.3
155.08557	6.9
157.10143	6.6
159.08076	3.4
159.11705	14.4
161.09659	4.5
161.13268	7.9
163.11186	28.6
171.11731	7.5
173.09627	8.6
173.11827	4.6
173.13142	12.9
175.11276	3.7
175.14897	5.0
181.12231	14.4
185.13290	8.5
187.14804	6.1
189.11198	4.0
191.10573	12.7
193.12149	3.1
197.13232	2.6
201.16397	2.4
207.13736	3.1
209.11790	7.8
211.14922	3.4
217.14253	3.7
227.12794	25.4
229.14362	4.4
243.21072	4.2
245.13849	3.9
259.20721	3.0
261.22092	11.5
265.14432	3.6
267.15991	3.4
273.22110	2.8
283.15408	27.6
285.22437	3.2
297.22128	2.6
299.23605	3.9
301.21735	4.6
315.23227	4.6
317.24808	4.0
327.23199	4.4
335.25751	8.5
389.26767	2.9
394.66959	2.9
433.30670	4.3
451.32047	9.9
469.33170	9.7
487.34277	7.3
515.37231	5.0
525.35840	9.5
543.36810	41.3
561.24768	3.5
561.37836	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.0
55.01864	12.3
55.05262	2.8
55.05510	34.7
57.03431	5.3
57.07074	5.8
59.04980	2.3
65.03925	7.2
67.05501	100.0
69.03424	2.7
69.07067	24.2
69.69597	15.9
71.04977	8.6
79.05487	91.1
81.03413	10.3
81.07050	95.1
83.04971	28.6
83.08615	12.8
85.02876	3.8
85.06504	4.2
91.05476	64.1
93.07038	93.6
95.04975	22.6
95.08599	70.5
97.06541	10.4
97.10166	8.7
99.04478	6.0
99.08081	4.2
105.07029	33.4
107.04946	18.0
107.08585	51.7
109.06504	6.8
109.10152	28.7
111.04436	32.4
111.08072	14.1
117.07002	22.0
119.08566	30.9
121.06527	4.5
121.10143	49.5
123.11681	6.1
125.09613	6.0
129.05443	3.0
129.06970	8.0
130.07841	2.6
131.08569	29.1
133.10133	24.1
135.08080	3.1
135.11668	36.7
137.09573	3.1
137.13263	2.9
139.11133	3.4
143.08569	3.2
145.06479	5.1
145.10110	32.9
147.08040	3.3
147.11682	13.9
149.09560	14.1
149.13261	9.0
151.11195	3.1
153.12740	20.1
155.08595	7.0
157.10086	4.1
159.11740	11.5
161.13275	6.7
163.11165	36.8
163.14830	4.8
165.12798	3.3
169.10133	3.7
171.11639	4.1
173.09610	17.3
173.13268	9.3
175.14844	3.3
177.12668	2.3
181.12221	28.9
185.13254	3.8
187.14798	5.1
191.10646	26.6
197.13193	2.7
199.13252	2.6
201.16248	2.7
209.11703	11.3
227.12762	29.6
229.14496	2.9
236.66246	2.4
241.19612	2.8
245.13780	4.0
261.22162	24.3
265.14331	8.1
273.22186	2.6
283.15350	31.6
315.23047	3.3
317.24750	8.2
335.25766	7.3
433.31097	4.9
451.18866	2.2
451.32144	9.3
469.32864	9.4
487.34064	2.4
515.37128	7.7
525.35797	8.1
543.36902	35.0
561.37793	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
54.47028	1.8
55.01858	4.7
55.05306	2.2
55.05513	20.9
57.03426	10.3
65.03928	2.8
67.05502	88.6
69.03408	4.2
69.07062	19.9
71.04985	26.0
71.60445	1.8
79.05490	69.1
81.03405	3.4
81.07053	100.0
83.04971	8.6
83.08611	14.4
85.06543	3.9
91.05475	42.5
93.07037	86.6
95.04983	12.6
95.08604	77.7
95.09098	1.4
95.09228	2.7
97.02880	3.8
97.06525	8.4
97.10136	2.8
99.04430	2.6
105.07021	33.8
107.04964	9.7
107.08584	48.0
109.06485	4.6
109.10155	21.9
109.68129	1.8
111.30995	1.8
117.07025	17.7
118.59702	1.9
119.08574	20.5
121.06502	4.7
121.10146	34.7
123.08089	2.0
123.11724	14.5
125.05962	2.3
129.07019	3.6
130.07770	3.4
131.08557	17.0
133.10141	21.0
135.08092	2.1
135.11685	51.7
137.13345	2.4
145.10124	29.0
145.11188	1.6
147.11670	8.2
149.13251	8.4
151.11197	3.7
153.35977	2.0
157.10117	2.2
159.11676	11.6
161.13258	9.1
163.11168	44.4
163.14799	4.0
169.10193	1.9
171.32224	2.1
173.13222	5.8
175.14796	2.3
179.14293	2.0
181.12248	8.6
183.13811	6.2
185.13136	2.2
187.14851	3.1
201.30792	2.0
222.28523	1.8
227.12769	78.8
243.21114	4.5
261.22119	20.9
283.15363	29.0
299.23694	2.2
317.24768	10.8
335.25800	59.7
416.10602	2.0
437.33838	2.5
517.38733	8.9
529.38824	15.4
534.10297	1.8
543.36768	28.4
556.24902	2.0
561.41125	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61293	2.1
53.03936	4.6
55.01848	2.5
55.05506	23.5
57.03428	6.9
57.07053	3.3
65.03929	4.8
67.05502	55.3
68.01558	2.2
69.03419	2.6
69.07069	15.3
70.18236	9.2
71.04977	8.2
77.31602	1.9
79.05055	4.3
79.05486	51.0
81.03423	3.9
81.07052	67.8
83.04967	7.6
83.08612	14.2
85.06533	3.6
91.05478	26.0
91.68762	2.2
93.07035	67.7
95.04958	11.8
95.08600	66.9
97.02855	4.4
97.06517	3.1
97.10165	3.5
99.04444	5.5
105.07029	24.3
107.04935	8.4
107.08585	44.3
109.06521	2.2
109.10162	18.8
111.08080	4.4
117.07005	15.7
119.08577	17.0
121.06511	5.8
121.10133	27.3
123.08043	2.3
123.11687	11.5
125.06026	2.5
125.09671	3.0
131.08533	10.9
133.10130	10.8
135.08090	2.7
135.11684	51.1
139.11053	2.5
143.08540	2.7
145.10120	33.2
147.11705	5.9
149.13252	6.8
157.10060	3.5
159.11708	4.7
161.13219	4.1
163.11162	51.0
163.14830	4.2
165.12781	2.1
173.13264	4.6
181.12259	11.0
183.13852	3.2
209.11578	2.9
227.12762	100.0
242.40784	2.2
243.21098	5.6
261.22092	24.6
279.23172	2.5
283.15402	42.5
283.18439	4.1
317.24722	9.4
335.25793	50.7
384.79712	2.1
401.33148	1.9
407.05710	2.5
469.32895	3.2
543.36737	34.0
561.39685	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3034
Annotation	13beta,29-Dihydroxymilbemycin A3
Peak:m/z	Relative Intensity
57.03429	0.4
57.15292	0.2
66.92463	0.2
67.05492	0.8
69.07057	0.3
69.73693	1.5
72.62329	0.2
75.75464	0.2
79.05500	0.5
81.07063	0.9
85.06525	0.2
85.70835	0.2
91.05491	0.6
93.07036	0.7
95.04931	0.5
95.08594	0.7
98.21404	0.3
105.07021	0.8
107.08582	0.3
109.06500	0.6
109.10172	0.2
113.06006	0.3
116.47002	0.2
117.07059	0.3
119.08558	0.4
135.08041	0.5
145.10176	0.2
159.11719	0.2
177.05522	0.7
221.28624	0.2
253.18068	0.3
273.18460	0.3
291.19522	0.8
293.19641	0.4
311.20651	0.3
342.75836	0.2
487.26199	1.1
543.36481	0.3
561.30292	100.0
562.30609	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.7
56.96553	0.4
67.05488	0.9
69.07083	0.3
70.10690	1.1
70.79849	0.4
77.00934	0.3
77.04278	0.3
79.05482	0.9
81.07055	0.9
83.04971	0.4
87.31067	0.3
89.99004	0.4
91.05478	0.7
93.07060	0.4
95.08606	0.5
105.07048	0.6
107.04935	0.6
109.02405	0.4
119.08564	0.9
121.10155	0.5
137.34367	0.4
141.94621	0.4
145.02840	1.2
177.05470	1.4
212.15561	0.4
259.07736	0.4
293.19785	1.5
311.20731	1.4
315.59201	0.4
329.21799	0.9
335.16803	0.4
340.52475	0.4
379.68301	0.4
487.25443	3.4
561.30316	100.0
562.30249	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.5
55.01863	4.6
55.05510	19.0
57.03428	4.3
57.07055	1.3
65.03931	1.8
66.77341	1.1
67.05502	54.2
69.03399	1.1
69.07067	18.4
70.10869	2.2
70.11301	4.3
71.04994	8.7
79.05491	39.2
79.05959	1.9
81.03432	2.0
81.07054	48.8
83.04981	7.2
83.05397	1.1
83.08618	8.4
85.02906	1.7
85.06561	3.7
91.05476	33.5
93.07042	44.0
95.04960	9.7
95.08606	28.8
97.06521	6.5
97.10167	6.7
99.04436	1.7
99.08075	2.2
103.05431	1.1
105.07029	28.4
107.04945	3.9
107.08594	24.0
108.05203	1.4
109.06528	6.4
109.10154	19.5
109.44125	1.2
111.04433	6.2
111.08093	4.5
113.06026	1.4
115.05494	1.5
117.06998	9.7
119.08576	21.0
121.06553	1.8
121.10146	18.6
123.08054	2.2
123.11691	6.1
125.09652	4.1
128.06279	1.6
129.06987	5.8
130.07858	1.8
131.08571	16.2
133.06540	2.3
133.10136	20.6
135.08075	3.6
135.11702	10.8
137.09644	2.1
137.13292	1.7
139.11179	2.2
141.06975	2.1
142.07796	1.3
143.08565	8.6
145.06505	2.9
145.10114	15.8
147.08049	3.2
147.11717	7.4
149.09628	4.9
149.13271	4.4
151.11188	4.6
153.12758	2.4
155.08563	2.9
157.10173	5.7
159.08006	1.9
159.11665	10.3
161.09630	2.9
161.13275	5.5
163.11189	6.1
165.12706	1.3
169.10144	3.7
171.11729	4.2
173.09656	3.5
173.11900	1.9
173.13196	6.2
175.11256	2.4
175.14848	1.6
177.12733	2.8
179.08772	1.2
181.10280	1.6
181.12282	4.2
183.11685	3.6
183.13803	1.2
183.83278	1.3
185.13266	3.7
187.11180	2.0
187.14890	3.9
189.11206	1.7
189.16313	1.6
191.10699	3.1
195.11720	1.5
197.13243	1.8
199.14839	3.1
201.16472	1.8
209.11688	13.2
209.13292	2.2
211.15001	1.9
217.15962	1.4
223.14914	1.5
227.12737	8.5
229.14330	2.4
253.14365	2.4
256.17838	1.1
259.20346	2.7
261.22235	4.4
271.20651	1.5
273.22165	2.7
275.20166	1.4
277.21655	2.3
283.15326	5.9
285.17090	1.7
285.22104	1.7
289.21661	2.9
299.20288	1.6
299.23560	2.1
301.21774	2.0
315.23083	7.1
317.24673	1.5
335.25854	1.4
364.24362	1.2
373.23923	2.0
389.26633	1.6
391.25415	1.4
433.30984	4.7
451.32040	9.7
469.32996	9.0
487.34076	5.3
515.37421	1.7
517.39319	1.5
525.35687	9.6
529.39099	1.9
543.36804	40.3
561.39386	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01861	1.4
55.05507	1.2
56.92241	0.9
56.96571	0.9
65.03942	2.1
67.05502	1.7
69.03433	2.4
69.07076	1.6
70.06585	5.3
70.16299	3.6
72.08155	1.8
74.80930	1.0
79.05489	2.7
81.03410	2.0
81.07027	1.2
83.04979	1.3
84.08139	2.8
85.02907	2.3
85.06534	1.4
86.09703	3.9
89.03915	3.5
91.05480	30.6
93.07032	1.3
95.04980	2.4
103.05451	1.3
105.03354	1.0
105.07053	1.1
107.04968	1.5
107.08598	1.7
109.02878	2.1
109.10181	1.5
117.03387	2.7
119.04939	38.3
119.08589	1.3
120.08117	1.7
127.03897	1.9
131.04942	0.9
132.02072	2.4
133.02861	1.2
134.03510	0.9
135.04390	6.7
136.05180	1.1
137.05980	2.7
137.09534	0.9
145.02841	2.7
147.04399	35.7
151.07608	0.9
153.05356	0.7
157.03981	2.8
163.03882	16.1
164.04677	1.1
167.07085	1.5
175.03902	51.6
177.05444	1.9
179.03354	1.0
179.07060	2.3
193.04965	11.4
207.06525	100.0
208.06902	1.6
248.19385	0.9
363.10541	1.1
369.96262	1.0
465.20987	0.9
480.55811	1.1
530.56708	0.9
543.14923	1.6
561.24103	3.1
561.32727	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	561.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
55.05491	0.3
57.03437	0.2
65.03922	0.4
65.78888	0.2
67.01862	1.1
67.05480	0.4
68.99773	0.8
69.03397	0.7
69.59605	1.6
70.06576	0.6
71.04987	0.3
72.08126	0.2
77.03912	0.3
79.05496	0.5
81.00613	0.2
81.03416	2.2
81.07033	0.5
83.08613	0.3
84.08104	0.3
85.02902	1.5
86.09693	0.4
91.05475	8.6
93.06987	0.4
95.05010	0.3
95.08559	0.3
98.20683	0.4
98.97582	0.3
99.04421	0.4
100.40446	0.2
102.01588	0.2
105.03421	0.3
105.06995	0.2
107.04900	0.4
107.08580	0.3
109.02869	1.2
109.10147	0.4
111.80286	0.2
119.04938	12.3
119.08564	0.3
120.08107	0.2
121.10147	0.2
125.06000	1.5
127.03881	0.8
129.03352	0.3
132.02052	0.3
137.05956	0.6
147.04404	12.4
149.02330	0.3
151.03900	0.7
152.36952	0.2
153.01781	0.4
157.03952	0.5
163.03831	0.4
164.04660	0.3
167.02145	0.2
169.04910	0.7
175.03897	21.4
179.06953	1.2
192.04195	0.6
193.04953	100.0
193.50551	0.2
194.05270	0.8
207.06517	52.9
208.06903	0.3
235.06122	0.3
267.18854	0.3
277.21429	0.4
295.22736	0.4
337.07065	0.3
351.10745	4.1
351.24152	0.3
357.09821	0.4
369.11865	2.2
399.10538	0.4
399.26642	0.3
418.86646	0.2
513.19061	0.2
561.32434	6.0
570.45947	0.2
578.31421	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76242	0.3
53.03934	0.5
53.04290	0.2
55.05487	0.3
56.96549	0.4
57.03423	0.2
62.63803	0.2
65.03905	0.7
65.43755	0.2
67.01835	1.0
67.05453	0.3
68.40843	0.2
68.99757	0.9
69.03430	1.3
69.07037	0.3
70.06574	0.6
71.04983	0.4
71.45579	0.4
72.08123	0.3
79.05458	0.3
81.03409	2.1
81.07028	0.6
83.04974	0.3
84.08142	0.3
85.02888	1.8
86.09673	0.6
86.35620	0.2
89.03877	0.4
91.05477	8.6
93.07021	0.7
95.04931	0.5
95.08585	0.4
97.02870	0.4
97.06529	0.2
99.04414	0.4
103.05438	0.6
105.03362	0.3
105.06983	0.6
107.04956	0.5
107.08543	0.5
109.02846	1.0
109.10136	0.4
110.07133	0.3
119.04939	13.4
119.08560	0.5
121.06490	0.3
125.06017	1.5
127.03889	1.3
131.04922	0.3
132.02032	0.3
135.04388	0.3
137.05948	0.6
145.02757	0.5
147.04401	13.1
151.03877	0.8
153.01814	0.6
157.03963	0.6
164.04639	0.3
165.08995	0.3
165.21634	0.3
167.07042	0.5
169.04956	0.7
175.03897	20.0
177.05406	0.3
179.07013	1.0
192.04150	0.5
193.04951	100.0
194.05276	1.3
199.00687	0.2
201.16301	0.4
205.62483	0.3
207.06517	54.1
208.06866	0.7
219.06474	0.3
225.05757	0.3
303.10364	0.3
351.10703	4.5
369.11780	2.1
399.10748	0.4
475.16064	0.5
561.32092	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	8.0
55.05513	38.1
57.03420	13.5
57.07049	9.4
63.98164	6.7
67.05499	100.0
67.63062	6.9
69.07058	22.6
71.04976	7.7
71.61018	12.5
79.05490	87.1
81.07044	73.0
83.08624	9.1
87.89906	7.7
91.05482	67.3
91.24238	7.9
93.07034	91.3
95.04970	26.1
95.08602	66.6
105.07030	58.3
107.04926	12.6
107.08578	35.9
109.10146	21.4
117.07020	19.3
119.08581	32.9
121.10112	21.1
129.06937	15.9
131.08536	13.9
133.10115	23.4
145.10123	18.3
147.07983	10.3
147.11678	28.9
149.13232	17.1
159.11697	10.9
161.13312	20.1
169.10120	10.6
171.11679	32.2
207.13754	32.7
261.22092	8.1
281.17465	28.5
335.25693	53.7
527.37469	11.7
541.38800	75.9
559.39905	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	559.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	29.6
57.03413	8.7
65.03940	6.8
65.16052	6.2
67.05497	98.1
69.07054	24.5
69.37584	66.8
79.05495	100.0
81.07051	86.8
83.04950	14.1
83.08607	11.8
83.93887	6.8
91.05476	73.0
93.07040	95.9
95.04948	23.5
95.08601	60.5
97.10173	9.2
97.60432	7.8
105.07030	46.4
107.04896	8.9
107.08586	33.8
109.10128	23.7
117.07052	10.2
119.08569	30.0
121.10109	25.7
123.08088	14.8
123.11733	7.9
129.06969	16.8
131.08559	24.5
133.10077	20.8
135.11671	12.7
143.08516	13.0
145.10121	22.0
147.11630	33.0
149.13295	8.2
157.10059	12.2
159.11702	10.2
161.13190	18.9
171.11664	24.0
207.13832	21.7
241.97649	6.7
254.67485	7.7
261.22064	16.7
281.17596	33.5
283.62469	6.6
335.25754	56.7
494.45618	7.5
541.39020	74.9
559.41394	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.5
54.58643	4.3
55.05507	26.5
57.03429	18.7
57.07092	6.8
65.03951	9.9
67.05172	3.5
67.05496	98.0
69.07042	25.5
69.28828	55.2
76.77366	4.9
79.05483	83.2
81.03416	11.3
81.07049	100.0
83.04974	8.9
83.08596	13.4
91.05478	72.6
93.07041	92.6
95.04967	21.3
95.08596	63.1
97.06496	5.4
104.28266	4.4
105.07018	50.2
107.04974	9.0
107.08596	42.2
109.06528	8.7
109.10172	14.5
113.70344	4.3
116.00881	4.5
117.07004	17.9
119.08572	29.6
121.10120	26.0
123.08075	7.4
129.07040	24.2
131.08539	19.0
133.10103	26.0
135.11688	23.1
143.08568	7.9
145.10136	19.5
147.11665	42.5
149.13269	8.3
155.08485	5.6
157.10106	7.0
159.11687	9.4
160.79799	5.0
161.09689	6.8
161.13284	9.0
169.10118	6.7
171.11681	28.6
173.13300	11.2
185.13179	5.1
189.12776	8.4
189.39168	4.3
207.13789	19.0
213.16289	5.8
229.66122	5.1
261.21881	8.9
279.15823	11.0
281.17429	29.6
328.40778	5.1
335.25778	60.8
406.73883	4.6
467.34674	8.1
527.36926	7.7
541.38959	86.6
559.40204	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	559.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90620	3.1
53.00282	3.0
53.03933	4.8
55.01871	8.5
55.05508	46.0
57.03427	4.3
57.07064	4.0
58.49355	3.1
65.03944	4.1
67.05502	79.1
69.03438	3.8
69.07072	20.4
69.51241	11.2
69.51671	15.4
71.04980	4.3
79.05491	58.6
81.03413	5.1
81.07056	66.8
82.42934	2.7
83.04979	9.8
83.08630	28.4
83.77186	2.9
84.20623	3.2
85.06541	7.0
91.05476	57.7
93.07038	69.3
95.04974	12.4
95.08605	42.6
97.02879	7.3
97.06514	7.6
97.10172	26.3
99.00790	8.7
105.07033	54.9
107.04984	6.6
107.08585	39.3
109.02885	11.2
109.06538	4.1
109.10172	24.1
111.04362	3.8
111.08106	4.3
115.05424	4.9
117.07032	20.4
119.08566	41.1
121.06499	7.5
121.10135	24.0
122.19875	3.1
123.08083	3.9
123.11711	5.9
125.09644	17.4
128.06233	3.9
129.07014	8.7
131.08583	31.3
133.06511	5.6
133.10135	41.7
135.08017	7.0
135.11682	17.7
137.09570	4.3
143.08537	14.3
145.06500	3.6
145.10110	17.8
147.08119	3.7
147.11700	13.9
149.09543	3.8
149.13232	8.9
151.11189	5.2
151.35501	3.5
155.08481	6.3
157.10153	11.5
159.08014	6.2
159.11658	18.2
161.09706	14.4
161.13232	11.0
163.11191	4.4
166.18961	3.2
169.10155	5.6
171.11714	11.1
173.13269	10.8
179.10747	4.9
181.10181	3.4
183.11719	5.6
185.09637	3.0
185.13272	8.7
187.14738	4.3
189.09149	8.8
189.11240	9.8
197.13268	7.0
207.46884	3.2
225.11189	10.0
227.12743	7.3
261.22156	11.4
277.21692	3.5
281.13931	9.9
287.23560	7.2
291.19684	5.3
297.22110	3.3
313.21655	5.9
315.23233	15.1
389.73666	3.6
421.30951	5.8
439.32056	9.0
449.30536	10.3
457.32904	6.1
467.31464	28.4
485.32599	13.8
485.38791	3.4
513.35681	19.6
531.36829	22.7
541.35132	47.6
559.36353	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	4.6
53.03935	8.5
55.01862	9.2
55.05262	2.7
55.05511	40.5
57.03421	5.6
57.07044	3.9
59.04995	3.8
65.03948	2.8
66.96759	2.4
67.05502	72.6
69.03415	4.6
69.06744	2.5
69.07063	18.7
69.72061	14.5
71.04968	4.3
75.41135	2.0
79.05059	3.8
79.05490	63.7
81.03406	6.5
81.07051	72.8
82.13817	2.4
83.04967	8.0
83.08611	24.6
85.06534	4.5
91.04897	2.5
91.05473	56.1
93.07034	70.7
93.07625	3.9
95.04976	11.5
95.08601	43.7
97.02879	3.7
97.06522	5.6
97.10162	27.8
99.00806	8.2
105.07022	54.2
107.04931	7.2
107.08589	38.8
109.02867	11.5
109.06483	3.8
109.10155	22.2
111.04411	2.9
111.08078	7.3
115.05416	3.6
117.07027	19.6
119.08578	36.8
119.09390	1.9
121.06509	5.6
121.10137	28.2
123.08037	3.5
123.11700	7.1
125.09631	17.3
128.06259	4.9
129.06984	13.1
131.08554	27.0
133.06419	2.4
133.10130	45.2
135.08061	4.6
135.11708	19.5
141.06966	5.3
142.07735	2.4
143.08588	15.4
145.06511	5.0
145.10112	23.1
147.08080	3.3
147.11691	15.5
149.09628	6.3
149.13263	8.0
151.11205	8.4
153.12781	2.6
155.08501	6.7
157.10135	8.7
159.11693	16.3
161.09595	19.6
161.13237	10.5
163.11154	4.7
163.14807	2.7
167.08612	4.1
169.10159	6.8
171.08040	5.3
171.11600	10.3
173.13252	9.0
175.11192	3.8
175.14775	4.6
179.10672	8.6
181.10117	3.4
183.11685	7.6
185.13264	7.8
187.14862	5.4
189.09114	8.7
189.11191	8.0
189.16197	2.3
195.11690	3.9
197.11653	4.6
197.13254	5.0
199.14764	3.6
201.16585	2.3
207.10138	3.1
211.14928	3.0
213.16428	2.7
223.14787	2.4
225.11220	11.8
225.16539	2.4
227.12747	9.3
241.19446	3.5
243.21091	4.7
259.20493	3.6
261.22134	12.0
269.22723	3.9
273.18753	2.3
277.21573	4.3
281.13870	9.4
285.22229	2.3
287.23654	6.4
289.21875	2.6
297.22058	3.3
313.21515	5.0
315.23178	22.5
333.24149	2.5
403.29871	4.0
421.31052	9.2
439.32095	9.0
443.62454	2.3
449.30453	20.1
457.33231	8.1
467.31494	25.3
475.34464	2.6
485.32404	17.4
495.34528	2.3
513.35681	27.2
515.36920	3.8
523.34265	5.8
531.36810	21.8
541.35205	59.1
559.36230	100.0
560.37000	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	559.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71093	1.0
56.96558	4.6
63.02380	1.4
69.88922	6.9
70.06584	1.9
79.05465	1.7
84.96017	1.0
89.03920	11.3
90.04242	1.6
95.04973	1.3
107.04954	3.1
113.09216	1.0
117.03378	10.3
118.03725	1.1
118.06551	8.7
123.04420	2.2
125.99010	1.0
127.56584	1.0
132.08089	1.5
133.02847	3.4
135.04410	21.7
139.03929	1.3
142.06567	1.3
142.41132	1.0
143.00204	1.2
143.07368	2.5
144.08086	6.8
145.02844	13.5
146.03273	1.6
146.05997	22.3
159.09200	3.0
160.30586	1.0
161.01228	3.2
161.02383	1.4
163.03899	100.0
164.04231	8.9
170.06015	1.7
170.99564	1.2
177.05516	1.1
179.03418	9.6
188.07056	48.2
189.00763	1.6
205.09717	17.8
205.11459	1.8
237.00665	7.1
252.97893	2.3
253.00240	2.4
255.01817	4.5
271.01202	1.4
273.02850	4.9
341.97058	1.0
409.02377	1.5
411.06058	2.6
412.76501	1.2
427.05008	1.5
429.06870	2.6
542.24835	1.1
567.09961	2.7
585.10962	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96291	1.3
56.96563	22.9
58.31407	0.7
59.98013	0.7
64.80489	0.7
69.03426	1.7
70.84569	1.6
74.97617	1.3
81.03415	1.2
82.01709	0.7
83.97626	3.5
84.96004	1.1
85.99112	0.7
97.99152	0.6
99.04431	1.1
101.98698	1.4
109.99162	21.8
110.97553	1.7
111.97096	1.5
119.99644	0.8
122.06030	1.4
124.00726	0.7
128.00204	54.1
128.98596	5.5
128.99719	1.9
129.98122	7.1
130.01749	1.4
139.01811	0.7
140.00197	0.7
142.01741	1.5
146.01248	66.9
146.99672	5.3
147.00703	0.9
147.99182	6.9
151.06427	0.7
152.93294	0.7
154.01773	2.5
155.00121	2.9
155.01253	26.6
155.99686	2.3
156.98109	2.7
157.02835	2.3
157.04094	0.8
157.74007	0.7
158.01253	2.7
164.02309	15.2
164.03725	0.9
166.00211	2.1
166.01747	1.7
169.02861	1.2
170.01210	2.8
172.02798	5.3
173.02354	100.0
174.00681	3.3
174.99147	4.9
175.04025	1.7
176.02344	1.5
180.03354	1.9
181.01736	1.7
182.01134	0.8
183.00749	5.2
183.04427	0.9
183.99214	1.0
184.01381	0.8
184.02856	3.0
190.03889	1.4
190.21519	0.6
191.03406	27.0
192.01794	2.3
192.03316	1.5
193.00116	1.1
196.02631	1.1
196.04155	1.2
196.80016	0.7
198.04381	3.0
199.02711	1.4
200.02339	1.2
201.01810	21.9
202.00253	1.9
207.04488	1.5
208.02811	6.1
210.00827	1.5
210.04308	2.0
211.03915	1.7
212.03563	1.0
218.86520	0.6
219.02879	48.2
223.03856	1.6
224.02306	2.1
225.05486	1.8
226.03880	8.5
228.01799	3.6
228.05414	1.1
230.04518	1.2
235.03908	2.6
236.02277	2.6
237.03854	28.4
244.04959	1.9
251.03470	2.0
253.04924	11.3
254.03368	2.8
255.02785	3.2
255.06650	1.1
256.02420	1.7
263.03284	4.2
269.04376	4.4
271.05914	1.0
273.04105	2.3
274.03448	5.5
277.05997	0.7
281.04419	22.5
283.02322	5.1
287.05585	1.7
298.07401	0.7
299.05496	36.7
301.03497	1.4
309.05087	0.9
317.06555	63.1
322.07065	1.0
327.06107	19.2
328.04382	3.8
335.07642	11.7
340.08133	3.2
345.07159	27.4
346.05499	4.1
354.05899	0.8
363.08038	1.7
379.08557	1.6
395.09302	0.7
397.09335	1.8
407.08746	4.3
408.07068	1.4
414.11575	1.5
425.09836	13.5
426.08289	5.0
443.10840	37.2
444.09253	6.0
505.12222	1.1
523.13434	2.9
541.14490	17.5
559.15515	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	556.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.05515	2.4
57.07082	2.5
61.02917	1.6
64.42741	1.6
67.05494	6.6
69.03423	4.0
69.07053	9.2
69.73835	7.5
69.74252	2.8
79.01373	1.5
79.05475	7.5
81.03412	4.4
81.07053	100.0
81.65160	1.6
82.07370	1.2
85.02891	12.0
86.09669	1.6
87.00855	2.9
89.03705	1.4
91.05481	1.9
93.07038	4.9
95.05020	1.6
95.08612	24.3
97.02898	6.2
98.21484	2.2
101.00890	1.6
105.01851	5.7
105.07041	4.0
107.08601	4.0
109.02865	4.5
109.10176	6.3
119.01927	6.9
119.08589	2.3
120.02020	5.9
121.10153	3.8
122.72526	1.4
123.11706	4.6
127.03909	6.9
133.10080	1.4
135.11714	2.3
137.13251	26.2
143.01906	3.7
144.01999	4.0
145.04993	3.4
157.03473	2.7
158.03580	3.5
159.03067	2.7
161.02972	9.2
162.03052	8.5
163.02736	2.7
175.04541	4.1
176.04694	3.8
177.04269	1.8
186.03069	2.5
187.00870	5.9
188.01062	6.2
203.03918	2.8
204.04173	3.1
205.03775	1.9
206.02118	1.6
229.01947	4.4
230.02095	6.2
231.01701	3.5
231.05008	1.7
247.03056	1.8
268.76602	1.5
273.03314	1.4
290.04294	3.2
291.03293	2.1
308.05405	1.7
316.46555	1.4
332.05392	1.6
349.06104	1.5
350.06445	2.2
350.74728	1.6
376.04041	2.2
416.28442	1.5
418.05264	4.3
436.06241	3.1
437.06155	1.5
460.79019	1.5
556.25958	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.348
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05527	1.8
69.92561	10.5
69.92930	3.3
81.07034	3.6
95.08639	2.0
97.02880	2.0
98.20844	3.7
117.03365	18.2
145.02846	51.4
149.05992	6.4
174.67191	1.7
175.80461	1.9
177.05463	100.0
193.84315	1.8
205.24557	1.8
323.61713	2.0
327.25253	6.7
436.89304	2.1
478.23709	2.0
503.29837	11.4
521.31055	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	559.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	23.4
71.58146	1.7
72.97133	1.4
73.12796	1.4
76.82360	1.4
77.63747	1.2
82.61348	1.2
83.97636	3.1
91.45353	1.5
94.92987	2.1
109.99158	27.3
110.97565	3.6
122.06034	2.0
128.00195	63.0
128.98589	6.3
128.99701	3.6
129.98105	6.8
143.01335	1.4
146.01242	62.1
146.99615	5.1
147.99161	4.1
151.01822	1.5
152.18047	1.3
154.01741	3.5
155.00163	3.4
155.01262	36.9
155.99684	2.6
156.98064	3.9
157.02800	2.1
158.01263	3.2
164.02322	13.3
166.00316	1.4
166.01820	2.3
170.01384	1.3
172.02773	5.7
173.02356	100.0
174.00760	3.5
174.99155	2.9
181.01640	1.8
183.00761	7.5
184.02817	3.9
191.03389	24.9
191.05045	2.1
193.00195	1.3
196.04028	1.8
198.04350	2.7
199.02771	1.7
200.02293	1.5
201.01826	25.9
202.00241	1.9
207.04424	1.6
208.02872	5.0
210.04314	3.0
211.04048	1.6
212.03516	1.7
219.02861	52.8
224.02385	1.9
225.05501	2.1
226.03799	8.1
228.01787	2.9
228.05408	1.5
235.03964	2.2
236.02367	3.5
237.03842	29.1
252.95059	1.7
253.04961	10.4
254.03418	1.7
255.02867	5.1
256.02402	3.3
263.03394	4.8
269.04706	3.2
271.06097	2.1
274.03528	6.1
281.04434	25.3
283.02386	5.6
298.06979	1.8
299.05484	36.4
299.10526	1.6
300.05063	1.6
317.06552	74.1
318.06396	1.4
327.06082	22.2
328.04364	3.3
335.07642	16.4
340.08136	1.6
345.07181	32.4
346.05707	5.7
379.08099	1.6
389.07565	1.7
396.10892	1.6
407.08603	5.3
414.11536	3.2
425.09793	16.5
426.08124	7.2
443.10840	48.3
444.09079	8.8
505.12167	1.8
523.13324	3.7
541.14508	26.2
559.15442	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	556.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24798	0.4
55.01854	1.4
55.05503	0.4
57.07059	1.2
58.32144	0.3
67.01823	0.8
67.05499	0.8
68.99788	0.6
69.03420	1.6
69.07037	1.5
70.02945	0.7
70.06588	1.9
70.89732	1.0
71.04955	0.6
72.04515	4.8
72.08143	0.6
73.02914	2.0
74.02420	0.3
81.03424	2.9
81.07028	0.6
83.04960	1.6
83.08602	0.4
84.04483	0.6
84.08128	1.0
85.02898	1.7
85.06534	1.7
86.09702	2.8
87.08073	0.4
90.05550	8.0
95.04936	1.6
96.08122	0.6
97.02869	1.9
98.02415	3.1
99.04442	1.0
100.03963	1.4
102.05556	0.4
102.14779	0.3
103.07562	0.6
108.24987	0.3
109.02876	5.1
112.07613	0.4
113.06010	1.1
116.03451	4.2
124.07580	4.3
125.05957	1.4
127.03931	2.7
129.10229	0.4
130.08627	0.4
131.07025	0.6
132.06561	2.6
132.10170	0.3
137.05896	0.7
138.05481	0.6
139.03793	0.3
142.08649	3.9
145.04948	3.8
147.04390	0.9
151.03874	0.9
153.01851	0.6
156.10085	0.4
160.09689	1.0
166.08632	1.2
169.04927	0.9
172.09645	1.0
174.11252	0.9
175.03946	0.4
181.04906	0.5
184.09666	6.6
187.06036	0.4
193.04948	100.0
194.05350	0.8
198.07610	2.1
199.05908	0.4
202.10735	18.4
203.11467	0.4
211.09601	2.2
216.08647	3.4
217.07021	0.9
220.11810	3.1
227.05275	0.5
230.10266	2.1
233.01416	0.3
234.09715	6.6
234.11955	0.5
235.06036	0.8
244.11702	0.7
262.12894	3.5
271.04193	1.6
308.02905	0.6
309.03720	0.5
310.12900	1.4
328.13837	8.0
346.15097	2.3
364.16006	2.7
426.13928	9.3
433.94061	0.4
474.83978	0.4
513.09888	1.0
528.00024	0.5
538.18982	3.1
556.19940	0.6
557.08990	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	554.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30922	2.4
54.30845	2.5
55.05505	2.7
57.07067	38.3
69.07065	5.4
71.08627	31.8
73.06551	6.6
83.08602	3.0
85.10172	19.2
87.04475	3.6
89.05472	4.9
89.06024	100.0
97.10175	6.3
107.07069	4.6
111.11703	3.7
117.09116	4.4
125.00605	2.3
130.08644	4.1
133.08589	49.6
162.47208	3.0
177.11240	14.6
221.13805	3.0
229.52791	3.0
239.14946	4.3
283.17477	4.4
299.29388	5.2
327.20074	9.1
343.31830	3.6
399.47089	2.3
470.58969	2.4
486.12708	2.8
537.43750	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	555.2932
Annotation	Acrovestone
Peak:m/z	Relative Intensity
56.96568	4.0
57.07067	2.3
69.07054	2.6
71.60094	2.7
74.18879	2.5
81.07079	3.0
90.20584	2.4
91.05551	2.9
95.08608	3.0
98.97533	4.8
133.08618	3.8
149.01250	6.1
177.00720	4.7
183.35583	2.4
187.90259	2.3
194.93503	4.7
289.77090	2.7
293.05518	5.1
337.20474	7.8
495.18176	6.3
555.29303	100.0
556.29669	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	555.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.0
53.20850	2.3
55.01857	11.2
55.05496	9.6
55.46822	2.5
57.03434	13.2
57.07071	6.3
61.02913	9.5
67.05500	19.8
68.99780	6.1
69.03426	58.1
69.07066	19.3
70.06580	9.2
71.04977	8.8
71.59943	3.8
73.02913	11.4
77.80878	2.6
79.05488	11.8
81.02967	4.2
81.03416	51.0
81.07058	54.5
83.04979	6.4
83.08598	6.7
84.04495	3.3
84.08109	3.1
85.02901	100.0
85.06532	7.5
86.09686	8.4
87.00832	35.1
87.04440	2.8
89.56049	2.3
91.03919	3.9
91.05464	19.9
93.07041	42.9
95.04963	6.0
95.08603	40.6
97.02885	29.1
97.06538	11.7
97.10176	4.1
98.97587	3.0
99.04462	18.1
105.01857	29.0
105.07034	34.3
107.04932	4.2
107.08592	51.4
109.02883	41.6
109.06483	4.7
109.10161	23.8
111.08062	4.6
115.03896	4.0
117.01865	3.1
117.07011	4.5
119.04926	3.7
119.08582	39.6
121.06491	3.0
121.10135	27.8
123.04390	4.3
123.11714	16.0
125.09630	3.5
125.30273	2.6
127.03915	72.4
127.11176	2.6
129.01854	5.5
129.07002	5.7
131.08556	9.0
133.06410	2.8
133.10146	25.1
135.11691	44.7
137.05983	7.3
137.09583	2.8
137.13237	11.6
139.11212	18.5
141.12723	10.5
145.04942	21.2
145.10172	13.4
146.04430	2.7
147.02805	3.4
147.11682	40.5
149.13266	29.9
151.11197	4.6
153.12657	3.7
155.08447	3.0
155.10657	4.4
157.10138	5.8
157.12167	16.1
159.02895	21.5
159.11710	18.2
161.09515	3.1
161.13248	7.6
163.03934	6.6
163.14851	7.1
167.06978	3.0
169.10133	2.7
173.09724	2.7
173.13240	7.5
175.14778	14.3
177.16295	4.4
183.11612	2.6
185.13214	3.1
187.14778	7.6
189.03902	3.4
189.16368	5.8
193.04944	9.3
197.13129	3.2
199.14856	2.9
201.16377	5.9
203.17896	3.8
207.06523	3.3
215.17967	9.3
217.19441	3.5
229.19513	4.2
231.04944	13.1
231.21011	3.5
233.18980	3.0
271.24142	14.4
285.12567	2.6
289.25290	24.1
307.26321	17.6
325.12332	7.8
325.62524	4.0
326.12695	2.8
331.26166	2.6
393.22397	3.5
513.66895	3.1
519.29724	3.3
537.30499	3.2
555.27490	12.6
556.16559	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	554.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01871	1.9
55.05502	4.9
57.03425	1.6
57.59420	0.8
60.04502	2.0
61.02909	1.3
63.87735	0.7
67.05484	3.2
69.03441	5.5
69.07055	9.0
69.93382	4.8
70.06588	12.1
71.04996	2.8
71.08590	0.9
72.08138	3.0
73.02908	1.1
74.06075	1.0
76.02205	1.1
79.05482	5.5
81.03430	4.8
81.07056	11.3
82.06592	0.9
83.04948	1.4
83.08614	6.2
84.04504	1.9
84.08149	5.6
85.02415	1.6
85.02903	20.7
85.06522	1.7
86.09705	5.9
87.04471	1.3
91.03932	0.9
91.05495	4.4
93.07033	8.6
95.04973	1.7
95.08602	22.5
96.04457	1.2
97.02910	6.8
97.06505	2.0
97.10153	3.4
98.06064	1.3
98.97572	1.0
99.04456	1.0
99.08087	12.3
102.05524	2.6
105.07021	2.9
107.04930	0.9
107.08590	27.2
108.08104	1.2
109.02858	3.2
109.10152	6.1
110.07155	2.5
111.08092	3.4
113.09599	1.2
119.04945	0.8
119.08530	1.0
120.08100	2.4
121.10138	44.5
123.11674	1.5
125.09624	3.4
127.03880	6.1
129.10233	2.6
131.04953	1.1
133.10130	1.2
135.11679	8.7
135.24507	0.8
136.07608	1.1
137.05968	1.6
137.13239	3.9
139.11250	1.1
145.04944	7.9
146.06079	1.1
149.13228	3.2
151.03783	1.1
161.06053	1.1
161.09608	0.9
163.03893	2.3
163.06001	3.7
177.16382	100.0
178.16812	1.2
179.03438	5.6
180.03683	2.0
195.17445	21.3
207.02806	5.8
208.03355	3.2
209.04384	5.2
210.04805	3.1
210.07536	1.1
213.12373	1.0
213.18494	38.7
225.08887	0.9
226.12047	1.0
273.77121	0.8
305.10214	12.1
306.10507	18.3
341.03241	0.8
375.23444	1.0
415.82562	0.8
554.26044	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2985
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
53.36505	0.5
67.19830	0.5
70.06579	0.6
71.60219	0.8
81.07057	0.8
84.45439	0.5
88.41786	0.5
88.77917	0.5
95.08557	0.6
107.04983	0.7
107.08581	0.6
119.08546	0.7
133.03513	0.5
142.59048	0.4
164.00644	0.4
195.60284	0.5
203.05147	0.6
253.11249	0.5
317.19757	2.0
335.20709	1.3
535.28259	0.6
553.29834	100.0
554.30542	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.7
57.07072	58.8
64.86238	2.0
69.07071	10.4
70.21143	8.5
71.08627	65.0
71.32778	1.8
72.45169	1.9
73.06539	6.2
81.07056	2.2
83.08601	3.1
85.10177	38.7
85.76347	1.8
87.04469	5.6
89.06028	100.0
94.58386	1.9
97.10180	3.8
99.11721	8.7
105.07018	5.1
107.07063	3.9
111.11716	4.8
117.09097	6.0
125.13222	2.0
127.14806	3.4
130.08621	2.9
133.08604	60.9
141.81339	1.9
148.38646	2.1
177.11194	17.0
221.13841	2.1
337.51413	2.4
395.21005	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
66.13942	0.5
69.20924	0.5
71.59139	1.0
83.01102	0.9
95.01102	0.7
95.01956	0.8
96.01900	0.7
97.80420	0.5
107.04958	0.6
133.03429	0.8
143.01920	0.8
157.04704	0.8
161.02908	0.8
185.04172	1.3
197.95058	0.5
201.03902	0.7
203.05334	2.0
234.92020	0.6
259.07889	1.8
299.18558	1.2
308.66000	0.5
315.18259	0.6
317.19574	3.3
331.10043	2.3
335.20810	3.5
359.13339	0.7
359.20975	0.6
371.38824	0.5
373.14981	0.7
373.22171	0.6
377.21912	0.6
385.54459	0.6
401.17859	0.7
415.19604	1.0
483.21951	1.4
535.28253	1.2
553.29846	100.0
554.30237	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	8.9
56.05033	3.6
60.04528	2.9
65.03935	1.7
67.05502	5.6
69.03416	7.6
69.07071	14.1
70.06598	28.2
71.04994	10.7
71.50750	4.4
72.08143	7.7
73.02869	2.3
74.06062	4.3
79.05471	5.1
81.03417	5.0
81.07057	11.6
83.08604	6.1
84.04501	8.5
84.08144	10.2
85.02899	9.4
86.09695	14.1
91.05484	16.9
93.07036	8.5
95.08603	12.0
97.02884	2.8
97.13167	1.8
97.27421	1.8
98.06057	2.7
99.05566	3.4
101.07150	2.2
102.05547	2.7
105.07037	21.1
107.04947	5.1
107.08592	17.3
109.02863	3.2
109.06538	2.4
109.10143	3.0
110.07157	4.5
115.19152	1.7
117.07023	6.9
119.08581	97.9
120.08120	10.2
121.10101	6.3
123.08041	3.0
127.03915	5.3
129.10217	6.9
130.04970	2.2
131.08611	2.5
133.10133	24.9
135.08046	2.3
136.07552	6.7
141.06560	2.2
145.04938	4.6
145.10110	3.5
146.04477	4.7
147.11679	5.2
149.09656	3.1
155.28056	1.9
159.11694	1.9
161.13213	2.1
163.07179	5.6
166.08636	4.7
173.13014	4.5
175.14827	100.0
183.14932	2.8
190.09824	2.0
201.09062	2.0
207.96602	1.8
215.09091	3.8
233.10216	3.4
346.21603	2.4
454.21744	7.4
455.23126	2.1
552.21667	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	552.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
54.04741	0.3
55.05508	2.1
56.05013	0.4
57.03424	0.4
57.07049	0.4
60.04520	0.3
63.70872	0.2
67.05479	1.2
68.53016	0.2
69.03413	1.0
69.06723	0.4
69.07066	5.6
69.56242	1.1
69.56661	0.9
70.06590	1.8
70.62893	0.3
71.04982	0.3
72.08142	0.9
79.05437	0.7
81.03404	0.9
81.07058	1.9
83.05019	0.3
83.08612	1.4
84.04500	0.6
84.08144	1.7
85.02891	2.4
86.09713	1.5
87.00792	0.3
91.05478	2.9
93.07025	1.2
95.04932	0.6
95.08604	4.4
97.02868	0.7
102.05550	0.3
105.07027	6.9
107.08582	2.2
109.02827	0.4
109.10148	4.3
110.07136	0.4
115.05447	0.3
117.06973	0.7
119.08572	27.6
120.08078	0.9
121.10168	1.3
122.24568	0.3
123.08085	0.4
127.03922	0.7
129.10220	0.4
131.08545	1.0
133.10121	25.0
134.99673	0.3
135.11688	1.8
136.07549	0.6
137.05951	0.5
137.09605	1.3
145.10085	1.3
147.11681	3.7
147.46707	0.3
149.13188	0.6
151.14842	0.7
153.01823	0.5
160.12457	1.1
163.03839	0.4
173.13245	1.2
175.14815	100.0
176.15157	1.0
177.16418	0.5
193.15874	11.8
303.04919	2.3
304.05307	3.4
348.17575	0.3
351.42737	0.3
370.20419	0.3
457.68201	0.4
552.17157	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
54.42189	0.4
55.01869	0.5
55.05507	0.8
56.96565	0.5
57.07068	0.9
60.52666	0.3
61.02916	0.6
64.03888	0.3
65.03938	0.5
67.05501	3.0
68.99780	1.9
69.03429	3.1
69.07064	2.6
70.06584	0.8
71.04988	2.7
71.59795	0.5
73.02914	0.7
74.02171	0.3
79.05491	6.9
81.03423	3.9
81.07052	100.0
82.07386	0.5
84.04469	0.4
84.08128	0.5
85.02900	4.0
85.56400	0.4
86.09709	0.4
87.00820	2.5
87.04462	1.4
91.05473	0.8
93.07052	1.1
95.04977	0.8
95.08601	16.0
97.02883	4.1
99.04455	1.5
99.51184	0.3
104.10737	0.8
105.01860	1.4
105.05523	0.4
105.07026	0.5
107.04942	0.6
107.08592	0.5
109.02877	6.8
109.10144	1.8
115.03934	1.0
119.08568	0.7
121.06582	0.4
121.10188	0.6
127.03917	6.9
127.04810	0.6
129.01770	0.4
131.04904	0.4
133.04965	4.7
133.10176	0.4
135.11696	0.4
137.05948	0.6
137.13249	19.9
143.03415	1.2
145.04948	2.2
145.10106	0.4
147.04305	0.5
154.15916	0.6
155.03337	2.4
159.02902	1.0
161.06082	0.3
163.03905	0.4
167.06989	0.4
173.04478	2.5
183.02892	12.0
184.07312	0.5
201.03931	6.9
213.04013	0.6
215.05612	0.5
219.04924	2.2
223.06033	0.5
231.04884	0.6
243.05052	0.9
251.08102	0.4
273.06177	1.2
303.05048	0.9
304.05399	1.2
309.05997	0.7
327.07040	2.3
345.08133	9.6
363.09134	3.0
381.10309	0.5
398.11221	0.7
552.29022	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
54.21929	2.0
55.01880	5.0
55.05513	32.4
57.03439	10.6
57.07061	8.0
60.08159	5.4
63.05791	2.1
64.09137	1.9
67.05506	72.5
69.07072	38.4
71.04984	9.1
71.07370	2.2
71.08645	3.6
77.66048	2.4
79.05496	27.9
81.07059	100.0
81.65639	2.0
83.05003	2.9
83.08602	25.3
85.06538	7.5
86.09706	12.0
91.05495	24.6
93.07048	30.3
95.05039	2.5
95.08608	82.1
97.06532	17.6
97.10168	13.2
97.21600	2.3
98.20723	7.1
99.08086	4.1
104.10754	29.9
105.07043	22.1
105.11076	5.6
107.08606	16.6
109.06487	3.3
109.10152	20.9
111.08070	4.0
113.09657	2.9
117.06963	3.4
117.63466	2.0
119.08577	19.8
121.10147	16.6
123.08060	3.5
123.11697	7.9
124.99989	9.2
131.08522	4.4
133.10130	19.2
135.11693	8.6
137.13258	5.8
145.10106	5.3
147.11671	7.5
149.13246	6.2
151.14810	4.4
159.11688	2.9
161.13258	24.7
163.14816	4.5
165.12747	2.9
165.16458	3.0
175.14772	4.1
177.63161	2.1
179.14359	19.5
184.07356	25.1
185.07646	6.2
195.13702	3.1
197.15279	2.5
245.22629	7.3
253.17979	24.7
263.23767	11.9
269.17337	4.5
271.19022	30.9
303.05038	5.0
337.27374	35.5
338.72498	2.4
355.28479	2.9
441.37259	3.8
459.38095	6.0
477.39468	3.4
478.32089	2.8
515.40833	8.4
533.42200	37.5
533.49469	4.5
551.30634	3.4
551.42651	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	551.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	27.8
57.03442	7.1
57.07070	6.5
67.05502	76.5
69.07072	30.4
69.26755	15.5
69.27174	44.9
71.04998	8.1
72.12395	5.0
74.50863	4.6
79.05498	25.4
81.07058	100.0
83.08611	19.9
89.13334	4.6
91.05478	21.4
93.07027	34.4
95.08602	83.9
97.06535	17.9
97.10168	13.5
98.21498	12.6
99.08096	7.0
105.07027	14.6
107.08579	14.1
109.10133	27.3
119.08589	22.8
121.10175	10.1
123.11689	6.8
130.37289	5.6
133.10121	13.3
135.11713	15.8
149.13264	6.5
159.11717	5.1
161.13284	28.5
179.14302	22.3
194.44601	5.2
253.18018	17.8
263.23688	10.2
271.19150	15.9
337.27298	63.9
370.88055	6.3
435.88376	5.9
515.40924	9.2
533.42322	31.0
551.42371	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44407	7.8
55.05503	35.0
56.40178	7.8
57.03424	18.9
57.07075	9.5
62.19045	7.9
64.40646	6.7
67.05502	75.8
68.28619	6.6
69.07066	45.8
71.04967	10.8
71.60178	12.7
71.60603	9.1
79.05481	30.0
81.07058	94.1
83.08606	28.7
91.05490	27.7
93.07030	32.2
95.08611	100.0
97.06542	16.2
97.10157	14.3
105.07034	21.7
107.08620	16.0
109.10161	33.0
119.08611	26.5
121.10184	16.3
125.45312	7.6
133.10115	21.7
135.11720	13.9
137.13246	9.9
143.93555	7.4
149.13171	8.7
161.13261	29.4
179.14281	13.1
245.22664	12.2
253.18080	22.5
271.19049	21.4
337.27350	54.2
515.40808	8.3
533.42041	32.1
551.42303	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	551.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.6
55.05511	31.7
57.03433	9.8
57.07067	9.3
67.05505	71.3
69.07074	31.4
70.00330	11.0
70.00743	4.5
71.04999	9.9
79.05490	30.7
81.07060	100.0
83.04986	3.9
83.08614	22.5
83.74213	2.9
85.06536	5.0
91.05491	25.1
93.07038	31.0
95.08607	90.9
95.09225	5.3
97.06532	16.2
97.10180	7.5
99.08106	7.5
105.07021	24.9
107.08583	18.0
109.10162	23.8
111.08104	5.4
111.11732	3.7
117.06992	4.2
119.08593	27.0
121.10141	13.0
123.11697	7.1
133.10124	19.8
135.11703	9.1
137.09532	2.8
137.13222	3.7
147.11700	8.6
149.13237	4.8
159.11682	3.4
159.63400	3.2
161.13251	33.7
171.17799	3.2
175.14835	3.8
179.14362	22.8
245.22672	5.0
253.17960	21.2
263.23730	8.2
271.18970	12.1
303.05014	10.3
337.27383	55.1
355.28616	4.0
515.40704	5.7
533.42041	35.1
551.43103	12.8
551.50916	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2828
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
50.13299	0.5
56.39027	0.5
58.64749	0.5
58.71441	0.5
65.03934	0.5
67.05495	1.0
68.67194	0.6
69.03413	0.7
69.07059	0.6
71.20909	0.7
71.21237	0.5
75.12644	0.6
81.03406	0.9
81.07070	0.7
83.70058	0.6
85.02911	0.8
89.35345	0.5
91.05495	0.8
93.07058	1.1
97.02872	0.7
103.05453	0.5
105.07040	0.7
108.04546	0.6
109.10163	1.3
119.08583	0.7
121.02911	0.7
131.04965	0.9
137.05984	1.3
139.92732	0.5
149.02336	1.7
175.42801	0.7
193.04958	1.2
203.05229	0.5
259.07932	0.8
303.04935	7.0
304.05109	0.7
333.19073	1.2
389.22763	2.0
551.28259	100.0
552.28735	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	551.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10230	2.4
53.03925	9.5
55.01862	7.5
55.05499	11.8
57.03434	7.0
59.99516	2.5
61.02925	3.6
66.56054	3.0
67.05495	23.2
68.99788	6.7
69.03426	29.5
69.07068	25.7
70.06586	14.3
71.04989	6.9
71.11499	6.2
73.02917	3.6
73.97488	2.4
74.12000	3.8
79.05477	18.3
81.03414	61.0
81.07056	94.6
83.04974	5.4
83.08602	4.4
83.31631	2.9
84.08134	5.5
85.02890	32.0
85.06544	7.2
86.09708	8.3
87.00819	12.5
91.05469	27.0
93.07040	38.7
94.90667	2.7
95.04964	13.0
95.08607	33.2
97.02865	13.9
97.06512	9.8
97.10161	8.5
98.20764	3.1
99.04451	10.7
103.05444	3.0
104.72738	2.7
105.01849	8.4
105.07031	65.9
107.04934	4.6
107.08575	29.5
109.02865	22.7
109.06511	7.9
109.10158	24.2
110.07146	3.1
111.04513	3.0
111.08039	3.6
116.61306	2.9
116.98495	2.6
117.01886	3.6
117.07006	5.9
118.98569	3.0
119.04902	3.4
119.08579	63.6
120.08086	3.3
121.06479	4.1
121.10136	24.1
123.08056	12.3
123.11697	13.2
125.09619	10.1
127.03918	28.6
131.04941	5.2
131.08549	12.9
133.10112	24.9
135.08052	10.3
135.11716	14.2
137.05956	15.3
137.09569	3.2
143.08534	8.6
145.02829	4.5
145.04988	6.8
145.06491	3.4
145.10136	27.4
147.04430	3.5
147.11659	24.0
149.09618	5.9
149.13284	4.6
151.03949	3.9
151.07494	5.1
153.01875	5.2
155.08495	3.9
157.10051	15.8
159.02965	7.0
159.08093	3.8
159.11687	40.8
161.09628	8.5
161.13252	100.0
161.14601	5.0
163.03952	5.0
163.11230	3.9
163.14828	5.9
167.07033	11.6
169.10130	14.4
171.11659	8.8
173.13249	8.5
175.11203	5.9
175.14819	7.9
177.05458	10.7
177.12737	7.4
183.11716	8.8
185.13272	8.4
187.14862	8.1
189.12720	6.7
189.16383	48.2
191.07149	3.3
197.13283	7.5
199.14801	8.8
201.16357	15.7
203.14189	4.9
208.03641	5.2
211.14819	16.8
213.03946	4.9
213.16368	9.8
215.14291	3.0
217.15927	11.8
223.06062	10.7
225.16489	4.2
227.17986	9.8
229.04956	4.1
229.15808	6.7
229.19434	3.8
231.04991	7.2
257.22668	11.5
265.19647	3.2
267.21143	26.9
269.22647	3.4
285.22110	63.0
286.22534	3.0
303.04996	70.9
303.23239	13.5
304.05197	3.5
322.68820	3.5
551.28491	9.2
558.69257	3.1
570.87329	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
53.03944	0.8
55.01865	0.3
65.03937	0.4
67.05491	0.5
69.03426	0.5
69.07080	0.3
70.72808	0.6
77.03909	0.4
79.05488	0.8
81.03407	0.4
81.07027	0.6
85.02902	0.5
91.04951	0.4
91.05479	4.4
91.06019	0.4
95.04960	1.9
95.08587	0.4
97.02870	0.3
102.04655	0.3
103.05462	54.9
104.05777	0.3
105.04487	0.4
105.07027	3.8
106.07375	0.2
107.04942	3.3
107.08625	0.3
114.86196	0.2
115.05447	0.9
116.88782	0.2
117.07052	0.4
117.34211	0.2
119.04939	7.9
119.08578	0.6
125.16776	0.2
127.03905	0.3
131.04921	100.0
132.05243	0.9
133.06474	3.3
137.05984	3.3
143.06071	0.3
147.04402	10.4
147.08109	0.2
151.03825	0.3
151.07529	0.9
159.11723	0.2
161.05984	5.4
161.13248	0.3
163.07532	23.9
164.33987	0.2
167.06973	0.3
175.07611	0.6
179.07042	5.8
179.08540	0.5
187.07520	0.5
193.04953	16.7
199.07533	0.8
203.08553	0.4
231.08076	0.6
237.08965	0.2
259.07635	0.4
264.56689	0.2
267.70947	0.2
271.23102	0.2
285.22073	0.2
291.10107	1.5
303.04956	2.8
308.10367	0.3
323.12680	0.7
448.20642	0.2
551.27728	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01855	0.4
57.03408	0.4
61.02918	0.8
66.40717	0.3
68.99773	1.1
69.03423	11.6
70.18222	1.5
71.04972	0.6
73.02908	0.5
78.81029	0.3
81.03413	5.6
85.02895	5.8
87.00817	3.2
91.03921	0.4
92.43946	0.3
93.03407	0.5
97.02288	0.4
97.02888	6.5
99.04433	1.2
100.57527	0.3
105.01850	1.3
109.02864	3.0
110.33527	0.3
111.00798	0.9
121.02831	1.0
123.04469	0.3
127.03895	6.1
137.02345	3.2
145.02856	0.3
145.04971	0.6
149.02338	0.5
153.01830	4.4
159.02885	1.2
163.03909	0.6
165.01848	1.7
183.02884	0.6
187.03893	0.7
195.02782	0.4
201.05482	1.9
202.94789	0.3
214.77525	0.3
219.06540	0.3
228.04192	0.3
229.04951	4.5
231.04984	2.8
247.06050	0.9
257.04373	3.7
274.04724	0.9
275.05359	0.4
285.03876	1.6
303.04965	100.0
304.05298	1.0
315.04871	1.3
341.06232	0.4
381.05917	1.2
444.75684	0.3
572.73688	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1027
Annotation	Quercetin 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
52.26389	0.3
53.03936	1.2
57.03433	0.5
61.02902	0.7
63.16962	0.3
68.99776	1.1
69.03066	0.6
69.03422	6.2
69.53113	0.3
73.02897	0.8
81.02969	0.4
81.03413	5.3
82.04295	0.3
83.01326	0.3
85.02905	5.9
87.00833	4.4
91.03938	0.4
93.03366	0.3
95.04977	0.3
97.02894	2.6
99.04444	1.6
105.01850	2.1
109.02878	3.4
111.00776	0.9
114.29900	0.3
117.01835	1.0
121.02875	0.9
123.04459	0.4
127.03906	3.9
137.02332	3.4
145.04948	1.5
153.01820	4.3
159.02892	4.5
163.03865	0.8
165.01880	2.0
171.02888	0.3
173.05998	0.5
183.02777	1.0
183.04381	0.5
195.02951	0.4
201.05540	1.8
213.03946	0.3
229.04970	3.8
231.04948	1.8
247.06046	0.7
257.04410	2.8
274.04831	0.6
285.03952	1.3
303.04984	100.0
304.05362	0.6
316.64346	0.3
382.59720	0.3
494.41440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.0
53.89481	2.7
55.01868	5.1
55.05510	16.3
57.03440	6.6
65.03923	3.7
67.05502	82.6
69.07060	26.9
71.04971	7.0
71.60586	6.1
79.05492	43.2
80.27773	3.3
81.07059	100.0
83.04980	3.5
83.08617	13.9
83.12728	3.2
85.06538	3.7
91.05483	47.0
93.07043	53.9
94.56203	3.0
95.04973	9.2
95.08601	76.4
97.06532	14.2
97.10184	7.7
105.07031	31.7
107.08598	30.5
109.10156	44.6
110.33646	3.0
111.08082	4.8
117.07014	8.8
119.08595	22.9
121.10162	20.9
123.11726	11.7
131.08559	14.7
133.10121	45.3
135.11694	16.8
137.13214	5.0
143.08572	4.6
145.10144	7.4
147.11687	6.8
149.13271	10.9
151.11208	14.4
159.11678	9.9
161.09631	8.6
161.13269	18.1
163.14816	4.5
173.13278	7.6
179.10696	5.0
179.14330	11.5
187.14748	3.3
195.13861	7.9
197.11861	3.6
202.09859	3.2
215.12791	9.8
243.21135	7.2
253.14401	6.0
253.17966	12.2
261.22134	18.6
269.17386	3.4
271.15634	7.6
271.19040	13.8
317.24670	4.5
335.25797	24.6
337.27185	4.2
353.26730	5.6
364.29755	3.2
383.78302	3.3
386.16992	3.0
429.12299	3.5
439.35300	4.2
531.40631	23.7
549.39783	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	549.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.0
53.89481	2.7
55.01868	5.1
55.05510	16.3
57.03440	6.6
65.03923	3.7
67.05502	82.6
69.07060	26.9
71.04971	7.0
71.60586	6.1
79.05492	43.2
80.27773	3.3
81.07059	100.0
83.04980	3.5
83.08617	13.9
83.12728	3.2
85.06538	3.7
91.05483	47.0
93.07043	53.9
94.56203	3.0
95.04973	9.2
95.08601	76.4
97.06532	14.2
97.10184	7.7
105.07031	31.7
107.08598	30.5
109.10156	44.6
110.33646	3.0
111.08082	4.8
117.07014	8.8
119.08595	22.9
121.10162	20.9
123.11726	11.7
131.08559	14.7
133.10121	45.3
135.11694	16.8
137.13214	5.0
143.08572	4.6
145.10144	7.4
147.11687	6.8
149.13271	10.9
151.11208	14.4
159.11678	9.9
161.09631	8.6
161.13269	18.1
163.14816	4.5
173.13278	7.6
179.10696	5.0
179.14330	11.5
187.14748	3.3
195.13861	7.9
197.11861	3.6
202.09859	3.2
215.12791	9.8
243.21135	7.2
253.14401	6.0
253.17966	12.2
261.22134	18.6
269.17386	3.4
271.15634	7.6
271.19040	13.8
317.24670	4.5
335.25797	24.6
337.27185	4.2
353.26730	5.6
364.29755	3.2
383.78302	3.3
386.16992	3.0
429.12299	3.5
439.35300	4.2
531.40631	23.7
549.39783	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	549.415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35050	1.5
53.03929	4.2
55.01868	4.4
55.05514	27.0
57.03450	10.6
57.07055	3.1
64.06411	1.5
65.03933	3.8
67.05505	82.5
69.03410	1.8
69.07071	21.7
70.18102	1.4
71.05002	10.9
78.58508	1.5
78.58966	1.7
79.05053	2.5
79.05493	37.1
81.07056	100.0
83.04982	2.4
83.08627	13.2
85.06542	7.4
91.05482	34.5
93.07043	53.1
93.94621	1.7
95.04960	4.5
95.08605	91.1
97.06530	23.1
97.10165	5.8
98.04273	1.5
98.21442	3.2
99.08091	3.3
105.07033	24.1
106.51946	1.5
107.08585	26.8
109.06519	4.6
109.10159	28.1
111.08079	3.9
113.09623	2.0
117.07019	5.6
119.08582	28.7
121.10134	22.6
123.08056	1.5
123.11738	12.5
131.08572	12.3
133.10138	19.5
135.11708	19.6
137.09645	4.6
137.13249	7.9
139.73260	1.6
145.10152	8.9
147.11682	9.7
149.13271	11.8
151.14818	2.1
157.10121	3.9
159.11713	8.5
161.13263	27.1
163.14854	4.4
173.13300	8.1
175.14806	2.3
177.12773	2.6
177.16388	1.9
179.14313	13.1
187.14822	5.0
195.13820	6.2
201.16382	2.1
241.19487	1.9
243.21094	6.8
253.18001	18.3
261.22168	33.4
269.17502	4.1
271.19043	24.4
279.23129	4.8
317.24768	4.3
335.25793	27.2
337.27295	7.5
353.26810	9.1
375.28378	2.4
439.35620	5.7
457.36938	7.7
475.37750	2.1
513.39532	8.4
518.26025	1.7
531.40405	31.9
532.41180	1.5
549.41699	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	549.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00363	1.3
53.03944	3.7
53.76031	1.6
55.01865	3.8
55.05507	27.0
57.03435	9.8
57.07069	3.1
63.18994	1.6
65.03934	2.9
67.05499	75.5
69.07063	19.2
70.78268	1.8
70.78600	3.4
71.04997	7.5
79.05488	42.7
81.07052	100.0
83.04984	4.2
83.08614	14.1
85.06545	5.4
91.05475	34.7
93.07038	47.0
95.04991	3.7
95.08603	88.9
97.06526	15.0
97.10159	5.5
99.08083	4.5
105.07030	23.8
107.08595	26.9
108.15057	1.5
109.06517	3.1
109.10149	26.7
111.08080	4.2
114.08247	1.5
116.83014	1.5
117.07034	6.2
119.08575	26.9
121.10134	19.1
123.08033	2.3
123.11736	9.2
125.09622	1.5
129.07022	2.4
131.08574	10.9
133.10123	18.7
135.11673	14.1
137.13239	5.4
145.10144	6.9
147.11684	6.6
149.13254	9.0
151.14842	1.5
159.11716	4.9
161.13254	29.3
163.14792	4.8
173.13257	4.5
175.14821	2.1
179.14299	18.6
187.14824	4.0
195.13814	3.1
211.57619	1.6
243.21077	4.3
253.18004	17.6
261.22141	21.9
269.17493	2.0
271.19025	15.9
277.21475	1.7
279.23178	3.9
317.24747	3.4
335.25793	42.5
337.27402	4.3
353.26743	4.5
406.18774	1.7
439.35660	5.1
457.36795	7.9
513.39111	4.9
531.40326	23.8
549.41498	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	549.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82781	3.2
53.03951	3.8
55.01868	4.9
55.05508	27.4
57.03432	9.2
58.20545	2.6
61.93813	2.9
63.42130	2.7
65.03931	3.0
67.05166	5.7
67.05505	76.6
69.07063	27.0
71.04990	11.5
79.05494	40.1
81.07055	91.6
83.08622	12.9
85.06531	8.6
85.81267	3.7
91.05466	22.9
93.07048	49.0
95.04961	6.7
95.08607	100.0
97.06518	20.1
97.10155	5.9
98.21558	5.0
99.08076	6.1
105.07024	28.9
107.08607	27.0
109.10149	27.7
117.06995	6.8
119.08564	28.2
121.10139	20.2
123.08024	5.1
123.11709	12.3
125.09592	3.6
131.08557	15.0
133.10149	21.8
135.11676	14.7
137.13275	6.2
145.10141	8.6
145.88414	2.9
147.11670	7.6
149.13290	9.8
159.11699	8.8
161.13216	19.7
163.14819	5.3
173.13272	6.3
175.14767	3.9
179.14328	9.4
195.13838	4.5
229.57352	3.6
243.21086	7.5
244.90825	3.5
253.18010	18.0
258.88318	3.4
261.22202	20.7
263.23810	3.3
269.17459	4.8
271.19012	23.3
279.23148	6.5
314.18182	3.4
325.89111	3.0
335.25815	32.2
337.27032	6.2
353.26743	8.8
361.31464	3.1
439.35559	3.9
457.36703	6.1
459.77908	2.7
507.49292	3.0
513.39264	8.7
531.40375	34.2
546.96991	3.4
549.41071	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	549.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
55.01865	4.1
55.05508	25.6
57.03435	9.8
57.07069	3.6
65.03928	2.9
67.05502	76.5
68.05833	1.3
69.07066	19.8
69.07442	1.0
70.78291	2.1
71.04991	9.8
73.06548	1.6
79.05487	40.1
80.05809	1.2
81.07051	100.0
83.04980	3.8
83.08610	12.4
85.06560	5.5
91.05469	26.7
93.07037	45.8
95.04965	5.7
95.08599	91.7
96.08935	1.0
97.06527	19.5
97.10163	6.0
99.08084	5.1
105.07026	25.6
107.08588	26.1
109.06520	2.2
109.10146	25.9
111.08084	3.8
113.09660	2.7
115.05518	0.9
117.07002	5.1
119.03051	0.9
119.08575	27.1
121.10133	22.1
123.08070	2.4
123.11695	11.3
125.09663	2.2
129.05603	1.0
129.06993	1.9
131.08566	13.8
133.10120	20.2
135.11687	17.4
137.09587	2.0
137.13232	6.3
143.08536	1.6
145.10110	7.8
147.11656	7.6
149.13239	8.2
151.11276	1.1
155.08646	0.9
156.16327	0.8
157.10114	1.4
159.11690	8.8
161.13246	31.6
163.14822	3.5
171.11696	1.0
173.13257	5.7
175.14803	3.1
176.57826	1.0
177.12788	1.6
177.16367	1.6
179.14288	22.3
185.13275	1.5
187.14842	3.2
189.16277	1.1
194.81363	0.9
195.13802	4.1
197.15210	1.0
199.14891	1.8
201.16397	1.1
213.16603	1.5
243.21030	6.3
253.17952	14.6
261.22122	25.6
263.23761	1.1
269.17508	4.5
271.19040	14.6
277.21655	1.0
279.23163	4.5
299.23444	1.2
317.24698	4.2
335.25766	32.7
336.26019	1.1
337.27408	4.6
353.26816	5.2
421.34537	1.6
439.35602	7.0
457.36880	7.3
466.51660	1.0
513.39526	4.3
531.40466	26.7
532.40344	1.1
549.41626	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	549.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	25.0
55.01861	14.7
55.05495	11.9
57.03431	13.7
59.17709	5.0
61.02929	13.4
67.05493	21.0
68.99804	9.1
69.03424	74.3
69.07059	15.7
70.06588	11.6
71.04971	9.5
71.59964	8.3
73.02905	16.5
79.05482	23.9
81.03410	74.8
81.07041	49.8
83.04987	5.7
85.02895	100.0
85.03365	9.6
85.06531	7.1
86.09710	6.2
86.80127	5.2
87.00826	36.8
91.03911	6.4
91.05454	37.2
93.07031	51.3
95.04963	20.9
95.08598	53.2
97.02889	41.3
97.06525	11.3
99.04450	20.9
103.05470	8.6
105.01879	31.7
105.07038	49.5
107.04958	22.3
107.08554	29.7
109.02875	58.7
109.10141	17.2
111.04469	12.5
115.03886	10.9
117.01849	5.5
117.07028	6.1
119.08561	53.9
121.06500	12.5
121.10147	19.6
126.83124	4.9
127.03902	94.2
128.06206	7.3
129.01779	7.5
129.06984	6.5
131.08539	36.7
133.06451	13.4
133.10106	19.0
135.08022	11.3
135.11734	7.0
136.69490	6.1
137.05981	30.5
142.07736	11.7
143.08549	15.3
145.05019	28.1
145.06062	6.9
145.10106	45.4
147.08073	10.4
147.11687	24.4
149.13300	6.8
151.03940	6.7
155.08563	14.8
156.09317	7.3
157.10158	30.0
159.02859	30.0
159.11728	44.2
160.12543	7.0
161.09628	7.7
161.13240	15.4
163.03848	10.8
167.07047	7.7
169.10118	15.6
171.11711	15.2
173.09656	7.8
173.13261	24.2
179.07069	6.5
183.11696	16.9
183.13411	5.9
185.09605	7.9
185.13226	17.3
187.14757	13.8
195.11591	7.7
197.13245	9.1
199.14757	8.2
201.09149	8.2
201.16443	13.6
209.13361	9.8
213.04012	8.7
213.12825	7.6
223.14722	6.7
231.05045	16.0
247.07417	5.8
255.21156	9.9
279.21234	8.0
283.20621	19.0
299.20123	9.5
301.21579	70.3
307.09698	10.5
313.21713	15.0
325.21484	11.6
339.12268	5.7
343.22626	7.3
391.22632	12.7
409.23801	9.7
449.21350	6.0
513.24854	6.2
531.25757	7.9
540.07794	6.0
549.26971	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	549.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.4
51.15052	0.2
53.03935	1.4
55.01868	1.1
56.96555	0.4
57.03452	0.6
61.02924	0.5
63.97961	0.2
65.03930	0.3
67.05515	0.5
68.99788	0.5
69.03432	3.8
69.07066	0.5
69.31388	2.9
70.06589	0.3
70.06998	0.3
71.04978	0.6
73.02909	0.8
74.17896	0.3
79.05501	1.3
81.03418	5.3
81.07046	0.7
81.43922	0.3
85.02901	7.8
87.00826	3.0
91.03944	0.6
91.05488	0.7
93.07053	0.7
95.04979	1.8
95.08621	0.4
97.02888	2.3
97.06531	0.5
99.04472	1.6
105.01859	1.8
105.07027	0.6
107.04954	100.0
108.05264	0.6
109.02882	3.9
109.10143	0.5
116.29828	0.3
117.01872	0.6
119.04954	0.3
119.08581	0.9
121.06521	0.4
121.10182	0.3
122.52402	0.3
124.05280	0.3
127.03915	4.5
129.01775	0.5
131.61378	0.2
137.05986	1.2
139.07544	0.9
141.41855	0.3
145.04951	1.3
145.10132	0.4
149.06035	1.5
151.03911	0.3
151.07431	0.3
157.10060	0.4
159.02916	2.5
159.11751	0.3
161.06012	0.3
163.03929	0.5
167.07018	2.8
177.05457	3.5
179.07034	0.3
181.04955	0.7
190.65292	0.3
193.05055	0.4
195.06529	28.5
200.96922	0.3
231.04901	0.4
239.59143	0.3
301.10699	56.4
302.11182	0.3
343.11795	0.3
378.17242	0.3
489.09650	0.3
549.39673	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84480	1.7
55.01857	4.2
56.96553	2.0
66.04730	1.8
69.03399	1.6
69.90694	9.2
72.05412	1.4
73.49755	1.4
79.05499	3.1
81.07045	3.7
88.90718	1.3
91.05469	4.6
94.04182	4.1
95.04968	1.6
95.08588	2.0
98.97599	1.8
103.01983	1.5
103.05466	4.3
105.07012	4.4
107.04951	7.0
109.06525	2.5
115.05462	2.0
117.07069	1.5
118.30148	1.3
119.04971	1.8
119.08610	2.9
122.03654	10.2
123.44411	1.4
125.60095	1.4
127.97809	1.4
131.04907	7.3
133.06470	4.4
135.08009	1.4
137.05968	100.0
141.07031	1.7
145.06534	2.2
146.03545	2.7
147.08093	2.1
149.05923	1.6
155.04869	2.4
157.06619	1.5
161.05980	24.8
161.79556	1.6
163.07552	3.2
165.06953	2.3
167.07019	3.5
173.06053	1.8
177.05545	1.6
179.06979	1.4
179.08595	1.4
184.07335	2.2
187.07536	2.6
189.06985	3.1
190.07742	4.7
191.08588	7.9
200.04738	1.7
202.07706	2.4
203.08578	3.3
205.06419	2.5
206.07169	2.0
207.08061	3.2
208.08749	3.1
215.07018	6.7
218.07283	9.0
219.08031	13.6
220.08870	3.6
221.05850	1.8
229.06586	4.3
231.08073	4.9
233.09540	3.5
234.06670	2.5
235.07567	7.8
236.08305	6.9
246.06723	8.7
247.07504	13.2
248.08313	8.9
249.05473	1.7
250.06306	2.2
250.09834	2.2
251.07048	2.0
251.10664	4.2
257.05927	4.3
258.06705	1.8
259.07596	8.9
260.08286	2.4
261.09113	10.6
263.06998	7.2
263.10648	1.9
264.07797	7.2
265.08392	2.2
267.55899	1.6
269.10419	2.7
274.06277	8.3
275.06998	9.5
275.11673	1.5
276.07834	4.8
277.02020	1.8
277.08536	2.8
277.80557	1.5
278.09302	3.4
279.10129	10.1
287.11508	2.4
289.08591	18.1
290.08975	2.2
291.10098	14.0
292.07382	2.3
292.10757	1.7
292.79196	1.6
293.11588	1.6
295.09497	1.8
301.13193	3.1
306.08875	2.6
307.09628	85.2
308.10217	2.0
311.12308	2.2
321.11194	19.9
323.12839	8.1
339.12277	39.0
463.19934	2.7
485.22095	2.3
549.27106	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.124
Annotation	Pratensein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.10932	0.3
52.86487	0.3
53.03944	2.2
53.72261	0.3
55.01868	1.7
55.05501	0.9
56.78964	0.3
56.96552	0.4
57.03421	0.8
61.02920	0.7
67.05494	1.0
68.99785	0.7
69.03429	5.4
69.07050	0.7
70.06574	1.1
71.04981	0.8
71.35467	0.4
71.35793	0.4
73.02918	1.6
74.09682	0.3
79.05486	0.8
81.03416	7.1
81.07056	1.9
82.66048	0.3
85.02904	9.1
85.06546	0.3
87.00829	4.2
91.03935	0.6
91.05471	1.0
93.07045	1.1
95.04961	0.6
95.08598	1.3
97.02885	4.2
99.04456	2.4
105.01872	2.1
105.07032	1.3
107.04952	1.2
107.08583	1.0
107.20992	0.3
109.02873	4.7
109.06495	0.3
109.10142	1.1
111.02890	0.3
111.04427	0.5
117.01850	1.0
117.07002	0.6
119.08547	1.1
120.08071	0.3
121.02880	1.6
121.06485	0.7
121.10162	0.3
123.04445	0.3
123.08114	0.3
123.11695	0.6
124.01591	0.5
127.03909	6.9
129.01842	0.6
129.10266	0.3
131.08560	1.0
133.06526	0.3
133.10089	0.7
135.04428	0.4
135.08070	0.3
135.11726	0.4
137.05991	1.8
145.04973	1.6
145.10115	0.8
147.04414	0.5
147.11664	0.3
151.03944	0.8
157.10103	0.4
159.02885	3.1
159.11697	0.8
163.03873	0.4
167.03407	2.7
167.07071	0.8
173.09560	0.4
175.11211	0.3
177.00681	0.3
179.03383	0.9
193.04953	1.0
197.04356	0.4
197.13417	0.5
199.07576	0.5
201.09138	0.5
205.41115	0.3
211.22047	0.3
212.04601	0.6
227.07037	0.8
231.05032	0.8
248.08342	0.5
255.06488	0.7
257.04465	0.6
258.05215	4.7
272.06836	0.7
283.20514	0.8
286.04703	3.4
291.10156	0.4
301.07056	100.0
302.07333	1.0
323.12842	0.9
325.14426	0.6
549.21790	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05026	5.7
55.05498	20.9
57.03439	7.1
65.03932	5.8
67.05501	78.3
69.07063	17.2
69.31522	63.6
70.16000	6.3
79.05487	42.6
81.03437	8.0
81.07053	100.0
83.04969	8.2
83.08601	16.1
91.05479	30.7
93.07033	61.1
95.04980	8.4
95.08596	50.4
97.06505	15.0
97.10112	11.1
105.07002	36.6
105.74508	4.9
107.08594	37.0
109.06514	8.6
109.10146	24.3
111.08078	6.8
117.07013	7.9
119.08559	21.0
121.10138	29.4
123.08057	6.7
123.11662	8.7
129.07124	6.2
131.08546	23.1
133.10127	27.0
135.11690	14.8
143.08549	6.8
145.10130	21.8
147.11688	17.2
149.13234	19.5
151.52823	5.8
159.11682	16.7
161.13220	7.2
171.11554	5.9
187.14857	7.8
195.13831	9.9
236.06963	6.6
261.22137	23.2
267.15918	10.4
269.17380	15.8
325.19315	6.9
335.25742	16.7
347.97379	5.7
455.34793	10.7
473.36151	15.4
529.38867	65.5
547.35107	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58417	1.6
53.03943	4.8
54.85327	1.8
55.05512	32.2
55.95053	2.4
57.03431	14.6
57.07074	3.8
65.03941	1.8
67.05504	62.4
69.07068	24.3
71.05013	10.8
71.59824	3.4
79.05490	49.0
81.07055	100.0
83.04973	6.7
83.08621	17.8
85.06537	8.6
91.04901	2.3
91.05477	55.7
93.07040	60.2
95.04974	4.8
95.08604	94.0
97.06521	11.4
97.10164	5.8
99.08084	5.9
105.07029	63.7
107.08582	38.9
109.06535	5.2
109.10138	14.9
111.08089	4.2
113.09646	3.3
114.71891	2.0
117.07047	13.7
119.08582	62.0
121.10146	21.1
123.08075	4.5
123.11689	3.4
129.07016	6.8
131.08566	20.2
133.10123	45.4
135.11691	24.4
137.09605	3.7
137.13228	4.5
140.82738	2.0
143.08551	7.8
145.10141	19.4
147.11685	29.9
149.09660	2.3
149.13283	13.4
157.10170	6.2
159.11681	16.8
161.13251	52.7
163.14789	4.7
169.10104	2.1
171.11697	10.8
172.95274	3.7
173.13303	10.5
175.14812	18.7
179.14322	20.1
185.13251	12.8
187.14844	6.3
190.96140	2.5
192.88211	1.9
195.13794	2.8
197.13228	2.2
199.14848	5.3
217.19432	2.3
223.77884	1.8
231.21057	5.2
241.19530	35.4
253.17975	12.1
257.19070	3.4
259.20584	58.2
261.22141	3.8
269.17575	6.7
271.19022	37.4
275.20026	2.5
277.21631	6.4
291.73157	2.3
315.23322	4.2
333.24188	39.4
335.25742	8.1
337.20627	2.1
351.25177	14.3
357.54214	2.3
437.34100	4.6
455.35242	7.2
473.19666	2.8
511.38071	2.6
529.38818	23.9
547.40271	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	547.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.2
55.05299	2.9
55.05515	30.3
57.03428	4.6
57.07067	6.4
65.03935	5.3
66.64346	2.9
67.05506	100.0
68.69354	2.7
69.07069	27.0
70.31993	5.6
70.32390	5.7
70.47776	2.7
71.04996	34.9
71.08632	5.9
79.05491	53.8
81.03413	15.5
81.07061	66.1
83.04969	10.0
83.08630	18.0
85.06560	2.9
91.05487	52.2
93.07042	57.0
95.04967	22.4
95.08607	52.8
97.06526	13.4
97.10150	10.3
97.96600	3.2
105.04539	2.7
105.07023	29.9
106.37360	2.5
107.04937	3.5
107.08595	31.3
109.10156	45.0
109.31957	3.2
111.08082	7.6
117.06994	7.5
119.08581	29.8
121.06507	4.0
121.10155	22.5
123.11736	6.4
125.09635	6.3
129.06950	4.0
131.08545	14.7
133.10153	13.2
135.08070	3.3
135.11700	21.0
137.09572	16.2
143.08589	3.1
145.10121	13.9
147.11694	8.4
149.09560	3.2
149.13272	5.0
157.10123	4.9
159.11719	8.2
161.13278	6.6
163.11145	6.7
163.14780	3.0
169.12192	3.1
171.11684	3.1
173.11780	4.3
173.13231	3.6
175.14853	6.0
179.14273	2.7
181.12274	2.8
218.91399	2.6
227.12816	9.9
250.77258	2.9
259.20688	3.7
267.15869	10.6
274.57095	2.7
289.08459	3.1
333.15186	3.9
337.27454	10.3
363.25186	3.7
383.46674	3.1
408.90646	3.0
418.77515	2.9
437.34094	3.4
455.34921	11.2
473.36313	5.4
503.37317	15.8
515.37231	7.9
529.38940	23.1
529.72083	3.1
547.36560	50.6
547.39307	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72789	0.2
55.01859	0.3
55.05505	1.5
57.03425	0.4
57.07075	0.5
58.32170	0.2
60.08152	0.4
67.05498	3.1
67.14333	0.2
69.03422	0.3
69.07063	1.2
71.04974	0.6
71.37647	0.4
76.17873	0.2
79.05486	2.2
81.03400	0.8
81.07049	3.1
83.04976	0.3
83.08617	1.2
85.06501	0.2
86.09711	1.0
88.87473	0.2
91.05481	1.7
93.07035	2.2
95.04945	0.9
95.08603	1.8
97.06527	0.8
97.10176	0.7
102.89787	0.2
103.05485	0.2
104.10738	2.0
105.07019	1.2
105.39442	0.2
107.04955	0.4
107.08597	1.3
109.06445	0.3
109.10144	1.4
117.07015	0.4
119.08589	1.0
121.06453	0.3
121.10098	1.0
122.73846	0.2
123.11694	0.3
125.00020	0.4
125.09633	0.4
129.07034	0.4
131.01901	0.2
131.08562	0.7
133.10120	0.8
135.11700	0.7
143.08557	0.3
145.10121	0.6
147.11674	0.3
157.10144	0.3
159.11716	0.3
161.13229	0.4
173.13284	0.2
175.11304	0.2
184.07355	1.5
193.12344	0.4
195.13820	0.3
213.14809	0.2
267.15930	1.1
337.27411	0.8
385.69388	0.2
455.34915	0.4
473.36343	0.3
474.80527	0.2
503.37531	0.2
529.38684	2.1
547.38159	100.0
548.38428	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	547.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.3
53.03944	4.1
55.01872	3.5
55.05506	33.9
57.03434	13.5
57.07064	4.6
65.03924	2.5
67.05496	68.0
67.50584	1.4
69.03405	2.0
69.07061	27.3
70.06569	1.5
71.04987	13.0
71.59622	2.0
71.59985	1.3
73.06585	1.4
77.03905	1.4
79.05487	57.6
81.03405	1.4
81.07050	100.0
83.04977	5.0
83.08621	21.3
85.06534	9.7
91.04882	2.0
91.05473	64.3
93.07034	64.7
95.04948	6.7
95.08598	90.1
97.06533	14.4
97.10178	6.4
99.08083	6.3
103.05438	1.8
105.07022	63.9
107.08582	34.2
107.09282	2.3
109.06504	3.5
109.10152	19.1
111.08067	3.7
113.09592	2.4
117.07007	14.2
119.08567	70.2
121.06499	1.4
121.10130	24.9
123.08044	3.7
123.11720	3.2
125.09688	1.6
129.05496	1.5
129.06984	9.9
131.08556	22.9
133.09093	2.4
133.10120	50.4
135.08066	1.8
135.11676	23.8
137.09624	4.3
137.13245	5.9
143.08548	8.7
145.10118	19.4
147.11667	40.3
149.09596	3.4
149.13251	14.3
151.11110	1.5
157.10117	9.7
159.11688	19.0
161.09593	1.4
161.13240	63.8
163.14833	6.5
169.10178	1.4
171.11656	13.5
173.13251	14.9
175.11162	2.0
175.14784	20.1
177.12727	2.7
179.14302	21.4
183.11699	1.6
185.13248	10.5
187.14864	5.6
189.12769	1.4
195.13777	1.8
197.15497	1.3
199.14819	7.3
201.16338	1.9
203.14247	2.7
209.70914	1.4
213.16394	2.8
215.17937	2.5
217.19456	3.3
231.20964	6.2
241.17232	2.1
241.19527	36.6
243.21104	1.4
253.17882	12.5
259.20557	63.2
261.22128	2.9
269.17508	4.8
271.19003	46.0
275.20102	1.6
277.21640	7.3
315.23135	4.3
331.30377	1.5
333.24167	44.4
335.25641	7.8
351.25250	20.2
437.34174	5.5
455.35226	9.1
486.26813	1.5
511.37823	4.0
529.38922	22.2
547.39984	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	547.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	0.3
66.91850	0.2
69.03422	0.7
70.06578	0.9
70.91573	0.3
72.08157	0.3
74.99439	0.3
79.84622	0.2
81.03398	0.4
84.04477	0.3
84.08127	0.4
85.02906	2.0
86.09689	0.8
93.00246	0.2
97.02881	0.5
110.07178	0.3
127.03921	0.8
134.97824	0.3
136.07603	0.3
145.04961	0.6
146.04477	0.3
161.63026	0.2
177.05469	0.5
191.03419	0.3
208.03654	48.8
209.04028	1.0
223.05997	100.0
224.06340	1.4
385.11200	0.8
515.00122	0.3
518.82391	0.3
547.18616	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3607
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
53.05582	0.5
55.05503	0.9
60.51020	0.4
65.85437	0.4
66.79720	0.4
67.05507	2.7
69.07067	0.8
69.23158	0.4
69.52260	3.4
72.01624	0.4
79.05486	1.7
79.75922	0.5
81.07047	3.4
83.08628	0.9
91.05484	2.1
92.44032	0.4
93.07030	2.2
95.08593	1.9
97.10157	0.5
98.40562	0.4
103.01000	0.4
105.07047	1.6
107.08572	1.7
109.10137	1.0
117.07004	0.8
119.08576	2.9
120.72984	0.4
121.10117	0.9
123.11718	0.8
131.08549	1.1
133.10136	1.4
135.11674	0.8
145.10149	0.9
147.11667	0.7
149.13286	0.7
159.11755	0.5
161.13164	0.5
173.13168	0.5
205.75923	0.4
220.12282	0.4
267.15903	0.5
382.94479	0.5
419.62936	0.5
529.38861	3.1
547.36023	100.0
548.36340	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	546.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
55.05504	5.5
57.03432	3.8
57.07061	1.5
63.93320	0.7
65.04944	0.6
67.05499	7.6
69.03430	1.0
69.07067	5.8
69.45097	0.6
69.45386	6.4
70.18598	0.6
71.04996	1.1
71.08626	3.9
75.40416	0.7
79.05478	5.2
79.63681	0.6
81.03412	0.7
81.07053	12.8
83.04964	1.6
83.08611	3.1
85.06490	0.7
91.05470	4.7
91.80399	0.7
93.07045	8.2
95.04940	1.6
95.08607	9.3
97.06527	2.5
97.10158	2.2
98.98473	3.5
99.08095	2.5
105.07045	6.7
107.08591	9.3
109.06510	7.1
109.10122	2.7
111.08083	1.3
114.46339	0.7
118.21142	0.7
118.82816	0.7
119.08591	9.4
121.06506	0.8
121.10113	4.5
123.08067	14.4
123.11704	1.6
125.09581	1.0
128.00056	0.7
129.07031	0.9
131.08548	2.6
133.10132	8.4
135.08066	7.5
135.11673	2.4
137.09641	1.4
145.10167	3.8
147.11661	4.4
149.09583	2.2
149.13205	2.3
157.10033	1.7
159.11708	2.5
161.09619	0.9
161.13223	1.4
165.12753	0.8
167.14395	1.1
171.11676	0.8
173.13235	1.2
175.14819	7.9
177.12796	4.5
179.14310	21.5
185.13254	0.7
187.14813	0.9
191.14227	1.1
193.15897	1.5
196.70740	0.6
199.14682	0.8
205.15901	4.1
216.06296	1.4
231.15897	0.9
233.18910	0.9
263.19992	1.3
275.20087	1.1
289.21710	6.6
289.24786	1.3
293.21057	3.1
303.26807	2.0
319.22836	0.8
331.26288	13.9
331.30096	1.3
337.24008	1.0
347.25632	1.0
349.23846	0.8
349.27368	5.7
369.28036	1.3
374.30545	2.4
375.29117	2.3
387.28992	6.5
393.49002	0.8
405.29984	100.0
406.30240	1.4
411.60709	0.9
485.26593	1.5
503.27884	4.5
528.37469	1.4
546.31500	1.1
546.38818	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01864	1.4
55.05510	7.2
56.99084	0.8
57.03433	5.0
57.07072	1.5
57.70420	0.8
62.06102	1.0
67.05503	11.9
69.07067	8.7
71.04959	1.1
71.08636	4.2
79.05486	7.5
81.03417	1.6
81.07056	17.2
81.09897	0.8
82.05674	0.7
82.07395	1.1
83.04981	1.4
83.08616	5.0
85.06564	2.1
85.10189	0.9
91.05476	7.4
93.07037	11.3
95.04951	2.9
95.08600	14.5
97.06543	2.5
97.10154	2.0
98.98450	3.6
99.08081	2.4
103.05437	0.8
105.07028	9.3
106.07391	0.9
107.08579	11.0
109.06513	7.5
109.10146	5.2
111.08094	1.3
114.88995	0.8
117.06999	1.9
119.08578	12.3
121.06490	1.6
121.10147	7.0
123.08061	16.1
123.11702	2.4
125.09616	1.9
129.07005	1.1
131.08537	4.3
133.10123	9.0
135.08043	9.0
135.11694	2.6
137.09612	2.1
143.08556	1.6
145.10095	5.5
147.11691	6.3
149.09601	2.6
149.13210	3.3
157.10130	1.8
158.10924	0.8
159.11699	3.9
161.09637	2.2
161.13274	2.1
163.11136	1.4
163.14716	1.0
165.12709	1.3
167.14304	1.7
173.13261	1.9
175.14853	8.7
177.12718	3.9
177.16331	1.7
179.14296	27.1
179.15819	1.7
191.14357	1.2
193.12320	1.1
193.15891	2.1
198.05179	1.0
205.15897	4.0
216.06352	1.4
227.12506	1.0
261.22128	1.5
263.20004	1.9
289.21640	5.0
291.19482	1.0
293.20950	1.9
303.26855	1.7
319.22568	1.0
331.26303	12.9
335.25916	0.9
337.23877	1.2
347.26108	1.4
349.27408	6.1
357.27905	1.0
369.27795	1.3
374.30484	1.9
375.29025	2.0
387.28882	6.9
405.29984	100.0
406.30106	1.7
481.03680	0.9
485.26706	1.3
503.27631	4.6
528.37549	2.8
535.74487	0.8
546.31165	1.3
546.38580	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.0
55.01860	6.5
55.05259	2.4
55.05509	34.2
57.03434	13.3
57.07065	3.9
65.03931	2.1
67.05502	73.0
69.03427	3.9
69.07069	19.7
69.39793	9.3
69.40218	7.6
71.04990	4.8
79.05054	3.0
79.05491	46.0
81.03421	24.5
81.07053	61.4
83.04978	5.2
83.08622	18.3
85.06565	2.4
89.65450	1.6
91.05473	39.4
93.07041	47.2
95.04961	21.9
95.08601	42.7
97.06523	5.9
97.10167	20.9
105.07018	32.0
107.04942	7.4
107.08583	29.7
109.06522	6.0
109.10161	31.2
109.10906	2.3
111.08076	6.9
115.05424	2.2
117.06998	15.4
119.08584	29.2
121.06483	9.0
121.10139	21.0
121.54146	1.6
123.08038	5.1
123.11714	9.4
125.09611	17.4
129.06999	8.4
131.08562	23.3
133.06491	3.9
133.10141	23.1
135.08055	7.8
135.11700	14.5
137.09636	2.7
141.07056	2.5
142.07791	2.4
143.08542	11.2
145.10126	17.3
147.08029	4.4
147.11681	14.9
149.09639	4.5
149.13254	7.6
153.12758	2.0
155.08568	4.4
157.10107	8.7
159.08107	3.0
159.11723	15.3
161.09663	3.6
161.13298	8.4
163.11171	4.5
163.14806	4.3
169.10138	4.4
171.11732	7.9
173.13298	11.5
175.11267	4.4
175.14868	5.5
177.12718	2.7
183.11703	2.9
185.13281	7.2
187.14775	5.7
189.11240	10.2
189.16466	1.8
191.10907	1.9
193.12253	11.5
197.13315	3.6
199.14801	2.2
201.16400	1.9
207.46411	1.8
211.13202	2.0
213.16415	2.0
215.18108	1.9
221.45143	1.7
227.12721	13.1
233.15503	2.6
247.16916	3.9
261.22159	12.1
267.15857	21.2
279.23022	2.0
281.21149	2.9
285.22040	3.4
287.20154	4.2
299.23730	5.0
301.25137	17.4
303.23141	3.1
317.24597	3.6
335.25815	16.4
339.12415	1.9
359.25858	2.7
403.24832	3.6
417.26025	2.3
421.25784	3.2
435.32645	7.5
453.33646	15.3
471.34628	13.5
509.36121	3.3
527.37311	58.0
545.38391	100.0
546.38660	2.9
550.82074	2.1
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
52.67537	1.3
53.03936	5.2
53.73860	1.4
55.01862	5.7
55.05258	2.4
55.05511	36.7
57.03433	10.2
57.07068	2.6
59.04990	1.7
59.39309	1.3
65.03933	2.9
67.05505	76.8
69.03422	5.8
69.07066	21.1
69.92982	8.3
71.04988	4.2
75.12780	1.3
79.05490	44.2
81.03419	24.4
81.07056	62.5
83.04972	6.4
83.08613	25.0
85.06541	2.9
91.05477	39.4
93.07039	44.6
95.04972	22.3
95.08612	47.3
97.06512	6.1
97.10170	24.5
99.08083	1.6
105.07033	35.2
107.04951	10.3
107.08592	29.8
109.06509	5.4
109.10154	27.3
111.08073	6.5
115.05459	2.3
117.07019	14.6
119.08582	26.8
121.06468	9.6
121.10162	20.3
123.08066	5.7
123.11732	12.8
125.09624	17.0
128.06165	1.5
129.07001	9.4
131.08572	25.7
133.06490	3.5
133.10132	22.8
135.08003	7.8
135.11690	12.2
137.09595	3.7
141.06975	2.4
143.08577	13.5
145.06512	2.2
145.10114	19.9
147.08020	2.7
147.11691	15.0
149.09653	4.5
149.13283	5.5
150.25757	1.5
151.11165	2.1
153.09119	1.4
155.08521	5.2
157.10132	9.0
159.08054	3.2
159.11685	14.2
161.09636	4.0
161.13268	8.6
163.11174	5.8
163.14836	2.7
169.10101	4.0
171.10353	2.3
171.11726	7.7
173.09679	1.7
173.13240	12.2
175.11255	4.7
175.14835	5.8
181.12317	2.3
183.11687	3.0
185.13287	6.0
187.11261	1.6
187.13354	2.0
187.14839	6.4
189.11229	11.6
189.12700	2.2
189.16359	2.5
193.12270	8.8
197.13274	2.7
199.14763	3.8
201.12772	1.9
201.16451	3.7
207.13773	1.6
211.13254	1.7
213.12816	1.7
213.16426	2.4
219.17490	2.9
223.14938	1.7
225.16422	2.3
227.12769	22.3
231.17490	1.8
233.15388	3.1
241.19719	1.6
243.21065	2.6
247.82434	1.6
261.18225	1.7
261.22150	15.3
267.15912	22.8
273.22083	2.1
279.23169	3.0
283.24081	2.0
285.22128	3.4
287.20187	2.3
299.23672	3.6
301.21893	2.6
301.25211	20.7
303.23059	2.3
313.25024	1.5
317.24609	2.1
321.20361	1.7
329.21176	2.7
335.25952	17.5
341.24844	1.8
357.28177	2.4
359.25732	2.6
403.24939	2.6
417.31931	2.2
421.25970	3.7
425.34073	2.5
435.27234	2.0
435.32678	8.3
439.31573	1.6
453.33795	12.3
471.34641	15.2
505.82605	1.6
509.36243	1.9
527.37335	55.2
545.38367	100.0
546.38788	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.6
55.01866	5.5
55.05512	30.5
56.15667	1.8
57.03435	9.4
57.07077	3.1
67.05503	63.7
69.03426	4.0
69.07066	18.2
69.63779	3.7
69.64192	8.6
71.04990	4.1
71.93999	1.6
75.15483	1.7
79.05492	43.8
81.03420	24.7
81.07056	51.1
83.04979	7.8
83.08615	18.7
86.99127	1.5
91.04898	2.8
91.05472	33.9
93.07040	38.1
95.04973	20.7
95.08599	38.2
97.06531	5.1
97.10168	17.7
99.08097	3.2
105.04549	1.8
105.07025	35.1
107.04955	6.3
107.08588	28.6
109.06531	7.5
109.10147	26.0
111.08081	6.5
115.05434	1.9
117.07023	12.2
117.43277	1.6
119.08575	30.0
121.06496	10.6
121.10122	17.0
123.08057	7.1
123.11748	8.2
125.09631	13.8
129.07021	7.5
131.08569	26.2
133.06497	2.9
133.10135	19.8
135.08073	7.8
135.11679	13.2
137.09618	3.2
141.06956	3.6
142.07767	2.0
143.08556	5.4
145.10098	16.4
147.08003	4.0
147.11662	11.4
149.09627	3.8
149.13286	5.2
151.11232	2.3
155.08537	4.3
157.10097	8.4
159.08047	4.3
159.11697	13.4
161.09552	2.1
161.13272	6.9
163.11208	2.2
163.14838	3.2
169.10130	3.8
171.11717	7.5
173.09674	1.9
173.13255	8.9
175.11287	4.8
175.14854	4.9
177.12888	1.8
183.11778	3.2
185.13272	5.5
187.13309	2.3
187.14876	6.1
189.11203	12.1
189.16422	2.3
191.14404	2.3
193.12233	8.7
197.13277	2.8
199.14821	3.1
201.12639	2.0
209.13422	4.0
211.13130	2.8
222.05992	1.8
227.12737	16.5
227.14502	1.6
233.15399	3.2
243.21167	2.9
249.18629	1.8
259.20749	1.8
261.18454	2.3
261.22168	8.4
267.15945	20.0
275.20142	2.0
279.23166	2.8
285.22195	4.7
287.20230	2.7
301.25220	19.8
303.23248	3.9
317.24680	3.0
318.59103	1.9
327.23331	2.3
329.33875	1.9
335.25809	14.5
341.24933	3.0
355.25983	2.3
357.28067	2.2
417.26309	2.3
421.25995	3.5
435.32889	8.0
453.33554	17.2
471.34744	12.1
485.26859	1.8
509.36203	4.0
527.37244	58.4
545.38391	100.0
546.38873	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.0
55.01859	5.5
55.05505	32.9
56.96540	1.7
57.03440	9.2
57.07066	2.1
59.04974	1.9
60.80501	1.3
65.03941	1.9
65.26520	1.2
67.05499	66.6
69.03416	4.4
69.07056	18.5
69.74424	5.0
69.74828	2.7
71.04990	4.8
73.02959	1.3
73.43317	1.2
79.05124	1.0
79.05485	44.3
81.03412	21.2
81.07050	60.5
83.04972	7.3
83.08610	21.2
83.73212	1.2
85.06506	3.3
88.26275	1.2
91.05052	1.0
91.05472	33.8
93.07037	39.8
95.04967	19.9
95.08598	42.9
97.02881	1.3
97.06510	5.8
97.10159	24.4
98.20756	1.6
105.07020	32.6
107.04974	7.5
107.08583	30.6
109.06528	6.1
109.10145	26.7
111.08078	3.9
117.06998	17.6
119.08571	24.7
119.09338	2.2
121.06528	9.8
121.10125	22.2
123.08069	5.1
123.11702	10.8
125.09618	15.0
128.06207	2.4
129.07019	8.4
131.08556	26.3
133.06502	4.1
133.10112	19.9
135.08028	6.5
135.11690	13.0
137.09625	3.2
139.11150	1.7
141.06996	3.2
142.07774	2.0
143.08531	9.4
145.06468	1.9
145.10115	19.1
147.08023	2.6
147.11679	15.0
149.09618	4.3
149.13266	6.5
153.09077	2.2
154.94202	1.5
155.08559	4.1
157.10135	10.1
159.08070	2.7
159.11693	14.3
161.09656	2.7
161.13226	8.5
163.11131	2.7
163.14810	4.4
167.08604	2.6
169.10132	5.0
171.11687	7.5
172.95189	9.3
173.09599	1.7
173.11844	2.7
173.13202	12.0
175.11185	4.5
175.14818	4.0
177.12781	2.2
181.10197	1.9
183.11702	3.9
185.13297	5.2
187.13371	1.8
187.14848	5.7
189.11183	10.7
189.12656	1.7
189.16376	1.9
190.96246	6.4
193.12213	9.5
195.11661	2.8
197.13309	3.4
199.14856	3.5
201.16338	3.8
211.14948	1.7
227.12761	13.6
228.98048	2.5
233.15266	1.9
243.21066	3.3
244.42842	1.4
246.98918	2.1
247.16969	4.0
261.19229	2.0
261.22040	12.6
267.15869	20.7
275.20023	2.3
279.23520	1.7
281.21097	1.7
285.22086	3.2
299.23651	2.0
301.25186	20.8
303.23120	1.9
315.23242	2.2
317.17715	3.8
317.25052	2.8
335.19327	2.6
335.25842	16.8
337.15021	1.7
357.27859	2.4
359.25867	1.7
403.25311	2.1
417.31607	2.7
421.25851	3.3
435.27191	3.8
435.32648	5.8
444.76273	1.7
453.17053	2.4
453.33698	18.0
471.18192	6.7
471.34717	14.4
475.30902	1.6
509.36139	3.2
527.37305	63.9
528.37708	2.3
545.38336	100.0
546.38171	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.9
53.03931	3.8
55.01849	3.2
55.05251	1.3
55.05506	14.8
56.75656	0.8
57.03424	2.4
57.07087	1.8
65.03927	2.7
65.37376	0.8
66.31528	0.9
67.05499	40.3
69.03410	2.1
69.06726	0.9
69.07070	11.2
69.48065	7.8
71.04977	1.9
73.02900	1.2
79.05487	47.1
81.03398	2.5
81.07048	39.3
83.04964	3.8
83.08612	9.2
85.06513	1.1
91.05471	23.9
93.07036	57.1
95.04954	10.5
95.08601	44.8
97.02898	4.4
97.06525	3.4
97.10142	1.3
99.04456	4.2
103.05484	1.8
105.04533	1.1
105.07023	16.2
107.04956	7.3
107.08586	35.2
109.06499	2.6
109.10145	8.7
111.04444	0.8
111.08073	1.8
117.07021	14.3
117.49430	0.7
119.08580	13.8
121.06503	4.8
121.10136	21.0
123.08086	1.2
123.11681	2.3
125.05999	1.6
129.07018	2.4
130.07796	2.4
131.08580	7.0
133.10147	8.5
135.08049	2.7
135.11682	42.8
139.07542	1.3
143.08578	2.4
145.06584	1.2
145.10104	27.5
147.11679	3.9
149.13281	3.3
153.12791	1.7
157.10178	1.4
159.11685	4.4
161.13229	1.7
163.11172	52.9
167.08475	0.9
173.09610	1.3
173.13266	1.4
175.14841	1.6
181.12215	11.5
209.11838	1.9
227.12759	100.0
243.21143	1.8
261.22116	8.6
275.20303	1.1
317.24841	2.0
440.72275	0.9
451.32358	1.6
469.33325	1.0
525.35907	2.3
537.73041	1.1
543.36761	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	543.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.3
55.01866	2.7
55.05510	13.9
57.03422	4.6
57.07057	3.1
63.97025	1.7
65.03943	1.8
67.05167	2.9
67.05504	36.4
69.03408	2.4
69.07062	11.1
71.04980	2.0
73.02900	1.8
76.40160	1.4
79.05057	3.2
79.05495	47.3
81.03404	1.8
81.07056	40.2
82.98928	1.4
83.04973	2.5
83.08603	10.5
89.37024	1.5
91.05472	21.9
93.07044	63.4
95.04978	9.9
95.08607	49.6
95.23769	1.4
97.02898	3.4
97.06511	3.0
97.10158	2.7
99.04456	3.0
105.04508	2.0
105.07024	17.3
107.04948	6.3
107.08598	38.0
109.06532	2.2
109.10153	9.0
111.08053	2.0
117.07033	12.6
119.08583	15.2
119.40614	1.5
121.06514	5.4
121.10145	19.1
125.05946	1.9
129.07007	2.2
130.07773	2.6
131.07703	1.4
131.08531	7.4
132.69125	1.4
133.10126	6.6
135.08095	2.4
135.11685	51.0
140.85278	1.6
145.10129	29.5
147.11691	2.7
149.13284	3.0
159.11693	4.5
161.13292	2.6
163.11179	51.5
173.13321	2.5
178.72231	1.5
181.12204	13.5
222.73473	1.6
227.12775	100.0
243.21085	2.5
261.22159	5.2
265.35275	1.5
317.24850	2.6
397.86142	2.2
485.57153	1.6
543.36652	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	0.9
51.81929	0.7
52.63120	0.7
53.03919	2.6
54.52368	0.7
55.01865	4.5
55.05510	12.2
57.03415	2.7
57.07048	2.5
62.81472	0.7
64.17060	0.9
65.03931	1.8
67.05505	37.6
69.03431	1.7
69.07074	9.1
69.30759	0.8
70.66383	2.8
71.04971	2.6
79.05491	45.6
81.03397	1.1
81.07056	36.5
83.04988	3.8
83.08620	7.2
85.50412	0.7
91.05481	25.9
93.07043	60.1
95.04967	10.2
95.08607	45.7
97.02866	2.7
97.06532	5.2
97.10149	1.9
99.04460	3.8
103.05423	1.3
105.04466	1.1
105.07033	17.7
107.04948	7.6
107.07870	1.8
107.08594	35.5
108.16882	0.8
109.06492	2.6
109.10151	7.5
109.66053	0.7
111.04483	1.7
111.08061	2.2
113.06001	1.1
115.05399	1.4
117.07008	12.8
119.07783	1.4
119.08571	16.8
121.06519	5.6
121.10139	22.0
123.08029	1.6
123.11678	2.2
125.05927	2.1
129.06956	0.9
130.07751	1.5
131.08557	6.5
133.08537	0.9
133.10127	5.4
135.08055	2.8
135.11693	46.5
137.13165	0.8
139.07495	1.4
143.08531	1.7
145.10120	30.7
147.11674	3.1
149.09570	0.7
149.13232	2.6
159.11678	3.5
161.13217	1.9
163.11176	58.8
173.09622	1.3
173.13275	2.5
175.14751	0.8
181.12222	11.2
187.14781	1.1
202.13799	0.8
209.11745	1.9
227.12781	100.0
243.21140	1.3
261.22153	6.8
283.15405	1.0
317.24756	2.6
525.35504	0.8
543.36798	59.5
544.36865	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37578	0.7
55.05489	1.1
56.05013	0.7
64.99780	0.9
67.05492	0.9
67.60262	0.7
69.03421	1.9
69.07043	0.8
70.06583	3.4
71.59174	0.8
72.08160	1.4
76.68310	0.8
79.05469	1.3
81.07056	1.8
84.08139	2.4
85.02888	1.7
86.09698	3.3
91.05486	2.7
92.78505	0.7
93.07041	1.5
95.08596	1.0
95.37843	0.8
95.91708	0.8
97.02917	1.2
98.97600	1.1
100.59525	0.8
105.23737	0.7
107.04915	0.8
107.08612	1.5
110.07188	1.1
115.61933	0.7
116.98580	1.0
119.05026	0.8
119.08572	1.3
120.08086	1.1
121.10152	1.4
127.03870	1.1
131.08585	1.3
134.99730	0.8
135.04449	0.9
137.05943	1.8
147.04413	0.9
163.03914	3.0
175.03847	0.8
177.05466	1.3
180.57602	0.8
193.04926	6.6
207.06612	2.1
219.01855	0.8
237.10754	0.7
277.16617	1.7
289.05280	1.1
291.10025	1.1
295.18906	4.5
338.86200	0.8
439.22305	3.7
457.24072	14.6
481.24063	2.7
499.25131	38.6
525.23547	3.6
543.24048	100.0
544.24084	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	7.3
65.59312	2.2
69.03439	3.6
69.53596	13.5
69.54018	6.7
76.10521	2.6
78.87423	2.1
81.03413	3.7
94.01497	2.2
98.97591	5.4
108.69122	2.3
109.99177	3.2
112.02453	9.0
116.98613	3.0
128.00218	6.7
128.98625	2.5
130.03506	37.6
139.03587	6.1
142.01744	4.6
146.01262	7.3
146.99670	2.8
148.04556	5.8
154.03525	2.5
155.01353	2.5
156.05014	3.0
157.03442	4.5
157.04572	70.8
158.01297	2.5
160.02827	6.2
163.03839	2.8
167.02980	5.6
168.05031	3.7
169.04581	2.6
171.05945	2.3
173.02388	11.8
175.05634	47.3
175.07059	4.6
184.05771	3.5
185.04178	6.3
187.02003	14.9
189.00818	3.5
191.06645	5.4
194.02974	6.1
194.06563	5.1
198.06152	4.3
201.00642	5.4
201.75803	2.5
203.03383	3.3
205.03053	15.3
207.06210	2.7
209.07713	6.8
210.05969	4.2
212.05446	26.8
214.06767	5.4
219.03128	3.7
219.06187	5.8
221.04349	4.4
225.07219	3.1
228.08286	5.0
230.06274	33.5
237.00760	2.9
237.07159	54.6
240.04642	2.9
243.02983	3.3
247.05580	5.7
253.06818	4.3
255.08376	5.5
258.05688	36.3
261.02899	10.0
265.06677	31.9
276.06723	18.5
279.03854	5.3
282.09549	2.5
283.08789	100.0
285.05807	3.4
301.06668	3.3
301.09232	4.1
311.08350	53.5
317.06619	5.1
321.04999	5.1
329.09451	62.0
330.07852	5.4
338.08408	3.6
363.10486	10.4
373.10168	4.7
380.13083	4.0
381.07809	9.6
391.11041	19.7
409.12057	26.4
410.10547	5.5
416.12921	3.1
427.12170	8.2
489.14420	4.1
507.15369	7.6
525.15863	4.3
543.13171	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	2.8
69.03424	2.6
70.78376	4.1
80.05023	2.2
81.03407	4.0
98.21386	1.3
98.97585	4.7
99.04436	1.7
104.01958	1.7
106.06546	1.7
110.97608	1.6
112.02435	9.4
116.98617	3.6
118.03573	1.4
122.06061	1.9
128.00214	1.9
128.98640	2.3
130.03499	35.6
134.99643	1.5
139.03470	6.5
141.05109	1.4
142.01746	2.4
146.01205	2.9
146.99658	1.8
148.04547	7.7
156.05060	2.7
157.04587	72.3
158.99646	2.2
159.06146	2.5
160.02888	2.9
160.04570	1.9
166.04675	1.4
167.03036	6.8
167.04289	2.7
168.05092	3.9
169.00954	1.7
170.03049	1.7
170.99667	1.3
173.02412	3.9
174.06134	3.1
175.05647	45.8
176.04089	1.2
182.06607	4.1
182.99561	1.5
184.04390	2.5
184.05690	3.8
185.04021	7.0
186.02504	2.4
186.06052	1.4
187.01990	13.8
189.00658	3.3
191.06653	5.3
192.05051	2.4
193.08318	1.7
194.02832	5.6
194.06657	4.8
195.06174	1.5
198.06096	3.8
200.07710	2.1
201.00504	5.7
203.03447	1.6
203.05156	4.5
204.03552	1.5
205.03075	17.4
207.06180	3.4
209.07759	4.4
210.06039	7.9
211.05630	3.7
212.03722	5.5
212.05486	27.6
214.06750	5.2
219.01564	2.8
219.06204	4.7
221.07704	3.8
223.05545	1.5
225.07253	4.3
228.08542	6.2
230.06300	35.2
235.05696	2.7
236.08797	2.4
237.03461	2.5
237.07140	50.6
238.06941	3.1
239.05179	1.4
239.08838	1.5
240.04730	4.3
241.06752	1.3
243.02809	4.3
247.05661	2.6
253.06676	2.5
255.08249	8.4
258.05713	34.7
261.02646	9.8
264.08374	1.5
265.06656	33.6
267.04709	2.0
273.03046	1.3
276.06732	19.6
279.03824	8.1
282.09412	3.3
283.08823	100.0
285.05731	3.1
290.09674	1.6
291.03842	2.3
301.09210	8.9
303.05069	2.0
311.08331	48.5
320.07208	2.4
321.04886	7.3
329.09430	62.5
330.07874	3.6
338.08350	3.4
345.10107	3.6
351.06119	2.0
363.06671	2.5
363.10818	9.0
373.09979	3.6
378.13043	1.2
380.12939	2.0
381.07419	7.6
381.11655	2.8
391.10971	20.0
399.08072	2.8
409.12030	28.8
410.10327	8.2
427.13116	6.8
471.14178	1.3
489.14511	3.3
507.15430	6.9
525.16492	4.2
540.06219	1.2
543.13159	42.5
553.06134	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	4.4
69.03394	1.7
69.53503	12.9
69.53908	3.7
81.03406	3.9
95.41153	1.8
99.04459	2.6
106.06557	2.4
110.72464	2.3
112.02463	9.4
128.00186	4.5
130.03506	33.2
139.03572	4.8
142.01729	3.3
146.01181	3.5
148.04507	6.0
156.05093	2.7
157.04579	84.7
159.06195	3.5
160.02792	3.6
167.03035	6.0
167.04289	2.5
168.02626	2.7
168.05051	3.4
172.04463	2.6
173.02368	5.1
175.05653	37.1
175.36473	1.7
176.04048	2.0
180.04959	2.4
182.06566	2.4
184.05783	3.4
185.04132	4.9
185.86780	1.9
187.01973	12.9
191.06709	6.0
194.02817	4.0
194.06586	4.9
198.06178	4.6
200.07643	2.2
203.03456	3.9
203.05199	4.1
205.03047	13.4
207.06116	4.5
209.07771	4.0
210.06067	8.8
211.05666	4.3
212.03714	7.7
212.05165	29.5
214.06697	7.0
219.02917	3.5
219.06105	4.7
221.07767	3.9
228.08276	6.4
230.06285	37.6
237.07117	48.5
238.06894	4.1
240.04626	5.0
241.06818	2.1
247.05739	2.3
253.06795	2.7
255.08296	7.5
257.06113	2.2
258.05685	41.7
264.08459	2.4
265.06693	36.6
276.06711	16.2
282.09363	3.3
283.08801	100.0
285.05609	4.0
301.07010	1.7
301.09009	7.1
311.08276	49.2
317.06522	2.6
329.09384	60.6
330.07895	5.8
338.08331	2.9
345.10141	3.3
363.06598	3.0
363.10718	10.8
373.09683	3.0
381.07745	19.9
391.10880	18.6
409.12009	26.9
410.10504	6.4
427.12643	7.2
489.14127	2.8
507.15527	6.5
525.16211	5.8
543.13129	91.3
543.21558	4.4
544.14160	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	543.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	31.0
67.37563	2.4
70.15792	8.5
72.70292	2.1
81.03426	2.4
83.97639	6.2
84.95998	3.0
102.15449	2.3
104.01965	2.1
109.99169	31.5
110.97578	3.7
112.02503	3.5
128.00200	67.7
128.55545	2.4
128.98590	5.6
129.98129	6.6
130.01779	3.0
130.03471	15.0
139.92090	2.1
140.00244	2.5
142.01781	8.2
146.01242	64.2
146.99609	5.3
147.99231	4.6
148.02809	2.2
148.04524	4.5
154.01772	3.6
154.62878	2.4
155.01254	33.4
155.99667	4.0
156.98090	5.3
157.04584	33.1
158.01265	7.4
160.02788	6.8
164.02289	12.9
168.04959	2.5
169.02875	2.3
172.02846	4.6
172.04504	3.1
173.01166	3.1
173.02351	78.8
174.00708	5.7
174.99240	3.2
175.05655	17.4
176.02272	4.0
183.00777	4.1
184.02846	6.2
185.04094	2.8
186.02495	2.8
187.02013	4.6
191.03424	21.1
191.06638	2.8
192.03410	3.2
198.04449	4.1
201.01799	17.9
203.03403	4.4
205.03043	6.9
207.06133	4.5
208.02785	4.8
210.00891	2.1
210.04332	2.4
210.06030	4.8
212.03708	3.8
212.05296	8.7
219.02870	43.0
219.06192	5.3
221.04193	3.7
221.06027	6.8
225.05406	2.2
225.60349	2.8
226.03755	5.0
230.06274	18.3
235.03850	3.3
236.02286	4.2
237.03569	24.9
237.06000	3.7
237.07370	24.4
239.07014	13.6
253.04878	14.6
255.06303	5.1
255.08539	4.2
258.05792	18.3
263.03366	3.4
265.06802	22.0
269.04456	7.9
276.06696	11.7
281.04456	25.1
282.09357	3.7
283.02292	5.2
283.06073	9.5
283.08929	48.6
287.05682	3.8
297.03952	4.0
299.05521	48.7
301.06848	31.1
311.08328	33.1
317.06555	100.0
318.07516	2.9
328.04477	3.3
329.09433	40.6
330.07977	2.7
335.07712	18.7
336.08496	10.3
345.07227	5.4
346.05350	5.1
347.09995	2.5
352.04129	2.7
363.10507	10.8
366.09912	5.4
391.09277	29.5
392.08154	3.5
393.10822	4.6
409.11102	29.7
410.10376	5.0
427.11902	13.1
444.09290	8.2
489.12939	17.2
507.14236	24.2
525.15100	31.9
543.12610	11.4
554.71783	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.132
Annotation	Unknow
Peak:m/z	Relative Intensity
64.78635	0.7
66.13901	0.8
69.72775	2.7
69.73183	2.1
72.85649	0.7
74.86304	0.6
124.94963	0.7
127.59563	0.7
145.37039	0.7
152.86986	0.8
185.62108	0.7
363.06998	3.4
381.07925	25.8
543.13220	100.0
544.13293	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55494	1.6
53.03941	7.7
55.01862	3.0
55.05510	24.0
57.03432	3.4
57.07074	4.6
65.03926	5.2
66.87805	1.7
67.05502	79.2
69.07064	20.6
70.05670	2.0
70.06599	2.4
71.04969	2.0
71.60751	2.0
72.59420	1.8
77.03895	1.9
79.05490	100.0
81.03390	8.5
81.07056	73.4
83.04976	11.3
83.08593	9.5
85.06534	3.4
88.07658	2.0
88.22905	1.6
91.05477	70.0
93.07039	86.6
95.04967	24.8
95.08607	49.9
96.64581	1.7
97.06535	5.6
97.10183	5.0
105.04491	2.6
105.07032	44.7
107.04941	3.3
107.08593	29.5
109.06519	5.8
109.10161	13.8
111.08082	2.1
117.07003	15.4
119.08575	31.0
121.06536	3.1
121.10130	18.6
123.08074	6.3
123.11728	3.0
128.06213	3.6
129.07019	13.2
131.08534	10.5
133.10149	13.2
135.11691	12.1
143.08568	10.5
145.10120	15.7
147.08020	2.2
147.11693	25.8
149.13177	3.6
157.10257	3.2
159.11691	6.8
161.09625	3.4
161.13252	14.0
167.08513	3.3
169.10103	1.9
171.11682	21.0
173.13289	3.0
183.11736	3.1
187.14850	3.0
189.12683	10.6
199.44386	1.6
202.87656	1.6
207.13806	25.0
225.14857	2.7
256.26334	2.0
257.26590	2.0
261.22034	4.4
312.29953	2.5
317.24814	2.9
372.50565	2.1
382.88611	1.9
410.42990	2.1
446.47437	1.9
449.34140	3.3
523.37476	2.3
540.53516	3.8
541.32727	20.3
541.39941	67.6
541.53638	8.9
542.33374	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	541.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.1
53.03942	9.6
55.01879	2.9
55.05254	2.2
55.05506	27.4
55.58157	1.0
57.03423	2.5
57.07067	3.9
65.03935	5.0
67.05501	83.6
69.03424	2.4
69.07069	18.3
69.25753	12.6
71.04987	3.2
71.08620	1.9
72.63496	1.2
73.06555	2.6
77.03906	2.5
79.05486	100.0
81.03413	9.2
81.07052	76.3
83.04962	10.6
83.08607	9.0
85.06535	2.4
88.07623	1.5
91.05473	77.1
93.07036	95.6
95.04967	24.1
95.08596	51.1
97.02872	1.6
97.06512	7.1
97.10155	5.0
99.08121	1.6
103.05453	1.6
105.04532	2.0
105.07023	51.8
107.04944	8.0
107.08588	33.1
107.09293	2.3
109.06528	5.0
109.10139	14.1
111.08076	2.7
115.05437	1.3
117.07014	12.9
119.08572	29.3
121.06522	3.0
121.10136	21.4
123.08073	6.8
123.11723	2.3
127.07532	1.9
128.06242	1.8
129.07007	16.6
131.08562	12.2
133.06476	1.5
133.10127	17.7
135.11682	12.8
141.09148	1.4
143.08553	10.9
145.10112	17.6
147.08076	2.0
147.11682	36.4
149.13272	4.8
157.10162	3.9
159.11725	5.8
161.09619	4.3
161.13240	15.0
163.14864	1.7
169.10196	2.2
171.11674	29.7
173.13268	3.9
175.14833	2.9
183.11699	2.1
185.13281	2.9
187.14903	2.0
189.12686	11.2
195.11710	1.5
197.13313	1.5
207.13780	26.2
211.14832	1.6
225.14873	3.2
243.21124	2.2
256.26410	2.7
257.26727	2.2
261.22131	7.0
300.11893	1.5
311.29565	3.5
317.24719	2.5
375.77994	1.4
449.34009	2.7
467.35516	2.1
468.69107	1.5
523.37549	1.6
533.36536	1.4
540.53522	4.0
541.38904	98.2
541.53687	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	541.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87409	1.9
53.03928	7.3
55.01854	3.5
55.05513	24.0
57.07061	4.8
65.03917	2.6
67.05502	70.9
69.03402	3.9
69.07063	19.4
69.34186	19.3
70.06566	3.2
71.04975	5.2
73.55162	2.2
79.05490	91.1
81.03407	7.2
81.07055	77.1
81.94275	2.0
83.04980	10.2
83.08603	10.6
85.06548	3.9
88.07635	3.9
91.04930	2.2
91.05474	66.6
93.07043	92.7
95.04958	18.9
95.08601	50.4
97.06537	4.9
97.10139	3.5
102.09174	5.3
105.07029	51.1
107.04955	8.1
107.08586	31.8
109.06531	5.9
109.10143	16.8
117.07024	11.0
119.08584	28.3
121.06570	4.1
121.10122	27.3
123.08062	4.6
123.11706	4.7
128.06317	2.2
128.07687	2.1
129.06990	16.5
131.08551	14.8
133.10123	17.8
135.11694	15.6
143.08522	10.5
145.10112	18.4
147.08055	3.2
147.11679	40.2
149.13271	3.8
159.11700	7.6
161.09613	4.9
161.13266	17.2
166.49474	2.7
171.11685	30.1
173.13284	5.3
183.11717	2.4
189.12704	11.8
207.13808	32.6
256.26239	10.5
257.26785	3.5
261.21982	3.4
281.17529	4.2
311.29340	12.0
312.29816	6.0
315.73050	2.1
449.34253	3.3
466.70758	2.3
540.53589	8.0
541.38892	100.0
541.53448	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	541.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07060	0.7
67.05486	0.4
69.51242	0.7
69.51660	2.0
81.07076	0.4
88.07629	0.4
91.05488	0.5
94.68153	0.3
95.08614	0.4
98.20795	0.6
107.08657	0.4
134.49962	0.3
140.95912	0.3
185.04152	0.5
203.05324	1.2
209.93604	0.3
217.31297	0.3
256.26245	0.5
259.07858	0.6
307.10605	0.4
307.50522	0.3
311.29373	0.7
312.29623	0.4
331.57852	0.4
341.25342	0.4
540.53772	0.4
541.33466	100.0
542.33795	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	539.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16062	0.8
52.88235	0.8
55.05498	2.8
57.03426	1.2
67.05506	3.2
67.17616	0.8
69.03446	0.7
69.07072	1.9
69.41821	5.1
69.42251	2.7
69.80776	0.7
70.47805	1.0
81.07054	4.3
83.08602	2.0
89.03920	7.2
91.05478	2.5
93.07008	1.5
95.08596	2.1
97.10258	0.9
105.07020	1.2
107.08620	1.6
109.10152	1.8
117.03374	20.2
119.08607	1.8
121.10194	1.9
133.10127	2.1
134.03593	1.9
135.04407	2.1
135.11740	1.0
145.02837	51.7
149.05980	7.3
177.05457	100.0
178.08786	0.8
183.70441	0.8
186.05469	2.0
251.97444	0.9
289.31189	0.9
327.25336	9.4
503.29980	5.6
521.31171	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3214
Annotation	Integristerone A 25-acetate
Peak:m/z	Relative Intensity
67.05498	3.4
69.07063	2.4
71.59951	2.0
73.47668	1.2
79.05474	1.4
81.07037	3.9
89.03888	4.7
91.05435	1.2
95.08588	2.9
99.68811	1.2
107.08585	2.0
109.10126	1.5
117.03374	15.7
134.03580	1.6
145.02832	40.8
147.11659	1.5
149.05960	5.3
169.69974	1.3
177.05455	100.0
186.05338	1.6
195.06549	1.3
251.09117	1.9
316.94675	1.3
327.25360	6.6
335.74304	1.2
503.29947	5.0
521.30994	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	16.1
57.07077	55.6
67.05508	79.5
69.07076	13.8
71.04994	51.4
71.08627	32.3
78.53237	4.4
79.05486	22.2
81.07062	88.6
83.04982	13.5
83.08617	19.8
85.06549	6.5
85.10194	18.6
86.85230	4.4
89.06071	8.6
91.05478	32.0
93.07027	22.0
95.08600	40.2
97.06517	6.1
97.10169	8.0
105.07043	14.2
107.08593	13.6
109.10162	17.2
111.08068	5.6
121.10184	6.2
123.11707	22.7
131.20253	4.5
133.10164	19.0
135.11684	4.6
149.13232	7.0
151.11194	11.1
159.11676	11.9
183.13795	23.4
239.23677	13.4
283.19043	7.3
285.17001	6.5
318.05170	4.9
341.26791	8.2
495.40527	37.6
539.43097	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2054
Annotation	Methyl aloesinyl cinnamate
Peak:m/z	Relative Intensity
52.65001	0.8
53.03929	1.2
55.05495	2.1
56.96565	6.7
57.03424	0.8
67.05499	1.3
69.03408	2.4
69.07062	1.5
70.06581	2.3
71.59837	1.2
71.60270	1.8
72.67616	0.9
79.05476	2.2
81.03400	1.7
81.07042	2.1
83.08604	1.0
84.08141	1.4
84.96014	3.3
85.02896	2.7
86.09684	1.2
91.05466	2.5
91.64287	0.9
93.07030	2.5
95.04924	1.1
95.08604	2.2
97.06532	1.1
98.97574	4.1
100.07580	1.1
105.07003	2.5
107.08590	2.4
109.02884	1.0
109.51070	0.9
111.04418	0.9
116.98605	4.7
117.07021	1.1
119.08560	1.5
126.15550	0.9
127.03902	1.8
128.98569	2.7
133.10161	1.2
134.99658	2.8
135.04462	1.2
137.05949	1.5
145.01814	1.3
146.99640	3.8
149.01259	1.6
158.99619	1.2
159.03259	1.3
170.99681	1.3
177.00682	2.2
189.00719	2.0
201.00713	1.0
207.06906	1.2
208.30197	0.9
219.01707	3.0
223.10075	5.3
237.02776	8.5
241.11066	2.2
243.08994	1.0
265.11011	2.2
267.09158	1.0
267.12592	1.2
270.86374	0.9
275.16125	1.1
293.17313	1.4
311.15219	1.3
359.23184	6.0
359.73428	1.7
367.14301	11.2
379.82080	1.1
409.15115	1.8
416.46219	1.1
453.15189	2.7
455.19424	19.8
479.20651	1.8
485.38556	1.2
497.21249	26.4
505.18365	3.0
523.19391	14.5
541.20453	100.0
541.28723	6.2
542.20416	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3188
Annotation	Dysinosin D
Peak:m/z	Relative Intensity
52.51525	0.3
57.07070	0.5
63.90773	0.3
67.05515	0.3
69.07057	0.3
70.43451	0.6
70.43813	0.6
71.08601	0.3
81.07050	0.5
95.08625	0.4
104.10733	0.3
109.02860	0.3
170.41428	0.2
184.54538	0.2
185.04152	0.4
244.94878	0.3
321.22812	0.4
367.83618	0.3
539.31885	100.0
540.32288	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	8.5
55.01857	8.4
55.05508	34.5
56.05025	37.7
57.65763	5.7
61.01135	16.2
61.02897	8.3
62.06073	8.2
67.05495	24.6
69.03423	44.3
69.07047	20.2
70.06583	100.0
71.05000	42.5
71.33533	15.7
72.08164	38.1
79.05494	37.5
81.03394	28.5
81.06641	8.6
81.07048	94.0
83.04947	9.6
84.04497	44.1
84.08146	36.8
85.02908	41.6
85.06537	14.9
86.09699	67.7
87.00829	10.4
91.05469	36.3
91.21336	6.0
93.07035	43.6
94.06530	10.5
95.04932	26.2
95.08578	45.0
97.02878	22.9
97.06533	16.3
97.10176	11.5
98.06036	10.9
99.04475	9.6
99.08068	27.1
100.11268	34.0
101.07149	7.9
103.05431	8.9
104.05312	90.0
105.01807	8.6
105.07027	88.9
107.04979	9.0
107.08567	44.5
109.02902	16.3
109.06487	17.1
109.10160	36.0
110.07106	12.4
116.07036	8.6
116.98611	13.0
119.08554	40.1
120.08109	68.6
121.10115	34.4
123.11681	20.5
125.09623	41.3
126.05492	13.6
127.03892	28.9
127.07505	13.5
127.11185	44.6
129.10220	40.5
131.08537	25.8
133.10107	92.6
135.11694	10.3
136.07542	10.8
137.05988	69.2
138.09093	8.8
139.11168	8.3
143.10678	46.7
145.04872	7.1
145.10068	33.1
147.11679	20.4
149.07413	33.2
149.13205	7.2
151.11176	42.3
155.10634	23.2
159.02853	7.3
159.11653	21.0
161.13229	11.0
166.08621	23.9
167.06953	7.1
171.14043	6.3
177.16312	8.4
178.05101	7.3
182.15375	7.6
191.64403	7.1
201.16353	24.3
203.10648	9.7
219.17403	36.7
237.18445	60.8
243.08089	11.2
260.10587	52.9
272.14725	8.7
290.08636	15.5
300.80588	7.0
354.81219	7.6
373.19080	12.2
410.17218	10.3
506.18671	11.5
537.40552	7.3
538.27380	12.0
538.40186	34.4
539.20648	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	538.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.01862	3.4
55.05514	5.2
56.05026	2.4
57.03430	4.0
57.21401	0.9
58.62751	1.0
59.04992	1.0
60.04505	1.7
61.02930	6.3
61.03227	1.0
67.05488	3.7
68.99789	4.0
69.03425	21.5
69.07067	2.9
70.06609	2.2
71.04990	4.0
73.02918	3.9
79.05474	2.0
81.03419	22.1
81.07034	6.3
82.06587	1.7
83.01308	1.3
83.04977	2.0
83.08614	3.0
84.04500	100.0
84.08141	1.7
85.02899	45.0
85.06537	1.6
86.09686	1.3
87.00833	15.9
91.05472	1.5
93.07040	5.3
95.04972	1.1
95.08609	2.6
96.04498	3.6
97.02886	12.7
97.06536	3.1
98.06049	3.2
99.04457	7.5
100.07619	1.5
100.11250	5.0
101.43060	1.1
103.03944	8.2
105.01868	7.6
105.07012	2.3
107.08595	3.8
108.04472	1.9
109.02875	20.1
110.06021	2.3
111.04449	3.5
117.01872	1.5
119.08564	1.4
121.10137	2.3
126.05511	47.2
127.03918	26.4
128.07095	2.0
129.01823	6.9
133.10107	1.4
134.05923	1.7
136.24364	1.0
137.05994	1.4
144.06543	2.2
145.04948	6.8
147.02892	5.3
147.11716	1.3
149.13242	6.4
150.05470	3.0
156.06453	1.5
159.02856	6.8
159.11752	1.0
168.06540	11.8
169.04933	1.2
171.02884	1.4
182.15411	7.6
184.16957	4.9
186.07616	9.1
187.06001	1.3
189.03912	3.6
204.08606	2.2
210.14821	7.8
213.03865	1.4
215.04398	1.0
224.09177	2.2
228.08681	4.0
228.16000	1.8
229.38593	1.1
230.06703	2.7
231.04994	4.1
232.66550	1.2
245.18637	2.0
246.09721	6.0
255.19794	1.1
264.44534	1.0
266.21246	3.4
272.07623	16.7
290.08679	57.6
294.20538	5.8
302.17380	1.1
337.21323	1.7
353.26630	1.1
355.22208	2.1
364.20987	3.3
374.16544	1.1
452.13956	2.0
466.14737	2.0
495.67065	1.5
513.64148	1.0
520.30591	1.1
520.37531	7.2
538.13904	12.3
538.31580	0.9
538.38416	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	538.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13760	0.3
53.03944	0.5
56.05034	34.5
58.06588	0.5
61.01149	20.4
61.02888	0.4
67.05486	0.5
69.03436	2.2
69.07062	3.0
70.06595	4.2
71.12206	0.9
72.08125	0.8
73.04047	0.5
74.06081	1.3
78.07143	0.4
79.05500	0.9
81.03401	0.6
81.07040	1.0
82.06573	0.4
83.06088	2.4
84.04500	10.9
84.08130	1.5
85.02895	1.7
86.09705	25.6
89.04259	0.6
91.05466	1.3
93.07042	1.0
94.06566	1.0
95.04955	0.6
96.08119	1.1
97.02859	0.5
98.97565	0.4
99.08122	0.5
101.07139	7.8
103.05446	0.4
104.05325	100.0
105.07002	1.3
107.04996	0.6
107.08598	0.7
108.08096	0.6
109.06497	0.5
109.10136	0.5
109.91463	0.5
110.07170	1.2
110.09674	1.5
111.50083	0.4
115.02145	0.7
117.03710	3.5
119.08541	0.7
120.04491	0.4
120.08102	11.7
122.06003	2.2
124.07563	0.5
126.05501	0.4
127.03870	1.0
129.06584	3.0
129.10202	0.6
130.04987	1.0
131.04919	0.7
133.10150	0.6
134.06003	0.5
136.07590	0.8
137.05975	4.3
138.09140	1.7
139.08672	0.6
147.04387	0.6
148.03935	0.4
149.07439	25.2
150.05443	0.7
151.11215	0.5
152.10657	0.7
161.05983	0.6
161.25253	0.5
163.03975	0.5
165.10188	0.4
166.07359	0.7
166.08643	8.0
167.06947	0.7
167.08179	0.9
169.13356	0.7
170.06306	1.3
172.03922	1.7
175.07541	1.7
177.05444	0.5
178.04979	2.2
190.05037	0.6
191.08557	0.6
193.04941	1.0
195.07690	1.2
196.14497	3.2
197.12886	2.3
204.06482	1.3
212.10323	0.6
214.15498	2.0
224.13823	0.4
226.05357	2.0
232.11096	2.2
237.10345	0.4
242.14955	0.9
243.07991	10.7
251.10651	0.4
260.10635	65.2
265.09662	1.0
266.10254	0.6
276.13644	0.6
279.10257	0.8
279.17035	10.6
288.05713	1.0
290.06210	0.5
293.09183	0.8
311.12845	1.3
328.16885	0.9
341.11169	0.5
343.12729	0.5
345.19476	0.7
353.11230	1.4
356.16571	1.1
373.14078	0.5
373.19019	11.0
389.21786	1.5
390.20291	0.6
407.22952	0.9
465.18463	0.5
488.18161	0.5
506.19022	1.7
521.24274	1.0
538.20709	0.8
538.28027	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.6
55.01870	3.1
55.05507	7.3
56.05014	0.8
56.96557	1.7
57.03439	1.5
57.07064	1.3
60.33256	1.0
64.95785	0.8
65.03931	1.9
67.05501	16.9
68.57245	1.0
69.03069	1.9
69.03428	28.1
69.07064	6.9
70.06590	8.0
71.04981	1.4
71.11909	2.3
71.12048	0.7
72.04502	3.3
72.08154	2.4
73.02914	2.2
74.02444	14.0
79.05483	18.4
81.03412	21.8
81.07048	18.5
82.02937	3.8
82.06581	1.7
83.01314	1.1
83.04973	3.0
83.08623	3.8
84.04501	2.5
84.08135	2.1
85.02908	5.6
85.06544	3.2
86.09726	5.1
91.05473	36.7
93.07038	17.2
95.04972	5.9
95.08601	12.4
97.02879	2.2
97.06534	3.5
97.10175	2.2
98.06035	2.4
98.97567	2.1
99.04465	20.5
99.05559	17.8
100.03992	6.0
103.05488	2.3
103.55525	0.9
105.01847	1.7
105.07021	33.6
106.06570	1.4
107.04964	4.4
107.08598	12.0
107.51757	1.0
109.06484	4.9
109.10151	7.1
110.07187	2.0
111.08096	1.1
115.05450	4.5
116.06273	1.9
116.07098	2.1
116.98643	2.0
117.07040	25.3
118.05010	7.0
119.04975	3.1
119.08582	12.3
120.08086	2.6
121.06493	4.9
121.10140	8.0
123.04425	0.9
123.08041	1.6
123.11712	2.1
125.09586	1.7
127.03926	2.1
128.06215	3.2
129.07014	15.5
129.10220	1.2
130.07825	1.0
131.04926	1.2
131.08557	53.5
133.06488	2.9
133.10147	5.9
134.06033	1.4
134.99661	1.7
135.04404	2.0
135.08037	7.2
135.11697	4.4
136.07558	1.6
137.05992	4.9
137.09619	1.5
141.06958	2.4
142.07672	1.2
143.08546	10.6
145.06078	8.0
145.10107	16.9
146.03310	2.0
146.04472	39.7
147.04482	1.2
147.08032	5.6
147.11682	5.0
149.06041	1.1
149.09596	2.4
149.13213	1.5
151.07538	1.5
153.05432	1.4
155.08560	4.4
157.06519	1.7
157.10120	8.7
158.99619	1.2
159.08063	2.9
159.11725	4.9
161.09627	3.6
161.13277	2.6
163.03955	2.7
163.07129	45.0
163.14775	1.1
167.07066	1.2
167.08557	1.6
169.10135	2.9
171.08014	1.7
171.11725	3.8
173.09648	2.2
173.13158	1.9
175.04027	1.5
175.11147	1.2
177.00722	1.8
177.05385	1.2
177.09135	1.7
177.12711	2.6
179.10666	1.1
181.10170	3.5
181.55824	1.2
185.09721	1.2
185.13301	1.5
189.09077	2.0
193.04955	2.6
195.11684	2.4
197.13322	1.4
199.14825	1.5
207.06558	2.0
213.16373	5.3
219.01759	1.8
223.14766	5.8
235.16866	2.2
241.15794	5.8
243.14822	2.8
253.17984	3.6
259.16943	20.3
271.14444	5.4
276.16061	1.1
276.19489	2.3
277.18002	6.6
294.20697	2.7
301.11841	1.8
303.23349	1.4
310.11725	1.1
321.24258	1.4
357.20255	3.5
375.22745	5.5
393.23822	1.6
410.07779	1.1
421.23370	7.6
438.72931	1.0
439.24377	100.0
440.24667	1.9
537.26990	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	537.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00257	0.8
53.03946	1.4
54.03465	1.4
55.01863	1.7
55.05508	6.0
55.21351	1.0
63.94856	0.8
65.03925	1.9
67.05508	15.9
69.03433	23.5
69.03803	1.7
69.07069	5.0
70.06591	3.7
71.04993	1.5
71.59323	1.4
72.04497	2.3
72.08125	1.2
72.58356	0.9
74.02447	14.5
79.05488	18.3
81.03422	14.5
81.06589	1.0
81.07059	19.5
82.02943	4.2
83.08622	3.4
84.04536	1.2
84.08132	1.5
85.02898	3.2
85.06557	1.6
91.05483	34.5
93.07050	14.3
95.04972	6.7
95.08608	10.3
97.06534	2.9
98.06073	1.3
99.04472	13.0
99.05577	16.5
99.08112	1.1
100.03993	7.3
102.05553	1.3
103.05490	2.4
105.07033	33.1
107.04964	3.8
107.08603	10.3
109.02867	1.6
109.06525	5.2
109.10162	4.1
115.05463	4.3
116.06313	2.1
116.07138	3.4
117.07044	22.8
118.05008	10.4
119.04949	1.6
119.08585	8.8
120.08025	1.2
121.06526	3.2
121.10131	5.1
123.08080	2.0
123.11697	1.4
127.03903	2.7
128.06233	4.0
129.06999	14.0
131.05014	1.3
131.08566	55.0
133.06493	2.2
133.10168	5.2
135.04413	1.0
135.08044	6.9
135.11691	3.9
137.06023	3.8
138.09032	1.0
141.06990	2.1
143.08559	11.4
145.06056	7.5
145.10115	17.5
146.04489	40.9
147.08044	5.6
147.11693	3.0
149.09651	4.0
151.11188	1.6
155.08582	3.6
157.10135	8.0
159.08093	3.1
159.11743	4.0
161.09612	2.0
163.07143	49.8
167.07162	1.4
167.08501	2.3
169.10048	1.7
171.08076	1.7
171.11719	3.2
173.09682	1.4
175.11166	1.5
177.12778	2.9
181.10098	3.7
182.11047	1.2
185.13356	1.5
193.05080	1.2
195.11662	2.2
197.13309	2.0
199.11188	1.1
213.16365	5.2
223.14833	7.6
231.17444	1.6
241.15849	6.9
249.65329	1.0
259.16946	23.2
276.16248	1.0
276.19458	1.6
277.17984	9.2
280.88120	1.1
289.15402	1.9
294.20508	1.6
357.15445	1.1
357.20264	4.1
375.22781	6.6
393.23981	1.5
394.22318	1.2
421.23395	9.3
439.24399	100.0
440.24429	1.4
460.08749	1.0
484.13031	1.1
519.27448	2.7
530.83960	1.2
537.15533	1.8
537.26880	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	537.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75101	2.8
53.03935	9.3
55.01848	4.0
55.05509	6.5
56.05022	4.3
56.96562	4.0
65.03928	2.9
67.05486	7.8
69.03429	10.3
69.07064	6.4
69.25637	35.7
70.06583	42.1
71.04984	8.8
72.08150	15.8
79.05495	7.5
81.03410	10.1
81.07056	11.7
82.39559	3.1
83.04965	8.0
84.04507	13.9
84.08134	16.4
84.69632	2.9
85.02886	17.7
85.06545	4.7
86.09698	31.8
91.05460	9.5
92.05797	3.4
93.07038	9.5
94.04192	2.9
95.04977	4.7
95.08606	6.1
95.16241	3.4
97.02890	6.1
97.06532	3.0
102.05560	4.2
103.05465	4.3
105.07022	9.7
105.63327	3.7
107.04972	5.4
107.08586	6.2
108.08152	4.9
109.02891	4.0
109.10158	6.0
116.07114	3.2
116.98656	3.8
117.37242	2.8
119.01952	6.3
119.08572	5.0
120.08087	15.0
121.06496	4.3
122.03600	3.0
127.03906	9.6
129.10231	8.4
131.04919	9.9
133.10078	4.4
135.11702	3.0
136.07561	12.4
137.05952	22.1
138.09126	3.4
146.04491	4.2
147.04362	5.7
147.11670	3.4
148.03908	5.2
161.02991	7.4
161.06038	6.2
163.03882	9.9
163.07553	7.6
166.05037	5.2
166.08643	5.5
177.05534	7.3
177.76942	3.4
187.07515	7.1
189.09052	5.8
193.05101	3.8
197.07109	8.0
197.10716	4.4
199.08743	5.4
204.02869	6.2
205.08595	5.0
211.08661	13.2
212.28087	3.1
213.10321	5.3
222.03999	6.4
225.06665	21.3
225.10179	15.5
227.08195	4.7
227.11671	5.8
229.01823	3.2
239.08147	27.6
241.09772	6.7
243.07692	13.1
253.06079	5.2
253.09691	29.8
255.07544	3.7
255.11298	5.7
257.09399	6.7
263.08209	4.1
265.09592	3.4
267.07629	33.7
269.09146	5.7
271.07248	3.7
271.10663	3.8
273.08734	7.0
273.12573	3.5
281.09152	31.6
283.10599	9.2
285.08783	16.4
286.09549	3.6
295.07037	5.1
299.06845	6.9
299.10196	35.6
301.11835	9.0
309.08621	36.4
313.08319	8.1
327.09702	73.3
329.11276	9.3
337.08044	11.5
343.12997	9.4
345.10809	41.8
355.09219	28.0
373.10291	50.3
385.14087	5.7
387.11942	10.4
399.11746	5.1
405.12756	9.0
413.13480	8.8
415.15216	5.0
431.14526	50.1
433.15924	8.0
441.12762	16.6
459.13974	70.0
461.15723	3.9
469.12231	4.6
473.15491	6.7
477.15091	15.8
487.13336	21.3
491.16531	18.8
501.14481	4.3
505.14490	100.0
519.15863	21.5
537.17218	24.8
537.27380	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36315	1.2
53.81188	1.2
55.01858	3.6
55.05513	8.9
57.03435	1.4
58.99586	13.1
60.04522	1.8
67.05506	6.6
69.03411	5.2
69.07056	2.8
70.06587	10.9
71.04980	1.5
71.59806	1.8
71.60204	1.2
72.08141	5.9
76.02222	100.0
76.04006	6.1
79.05498	9.3
80.05015	1.7
81.02916	1.6
81.03408	29.2
81.07046	11.6
83.04977	10.1
83.08620	8.1
84.04495	24.2
84.08126	5.9
85.02883	7.1
85.04020	3.1
86.09708	5.3
86.99041	3.9
88.02252	1.6
91.05465	13.2
92.01684	2.3
93.07025	6.9
95.04970	11.4
95.08604	3.7
97.01107	1.6
97.02903	2.1
97.10128	2.0
98.00603	1.3
98.97543	1.3
99.05579	1.8
105.01837	2.0
105.07035	10.8
107.04940	3.7
107.08585	5.9
108.04517	1.2
109.06540	3.1
109.10136	1.8
110.07174	1.6
111.04356	1.3
111.08054	4.8
112.03971	1.3
114.03733	1.5
116.01665	22.9
116.98653	1.7
117.06969	1.6
119.04975	1.8
119.08592	7.6
120.08100	5.0
121.10123	5.1
125.09617	1.6
127.03919	2.3
129.06943	5.1
129.10252	3.5
130.05002	18.1
131.04607	2.4
131.08572	4.5
133.06470	2.1
133.10123	3.0
136.07541	1.8
137.05984	2.2
137.49300	1.5
142.03195	11.9
144.01129	15.3
145.10179	1.3
147.04372	1.7
147.08073	1.4
147.11674	5.7
148.03883	4.2
148.04970	1.2
149.09610	3.1
157.10098	4.8
161.05997	2.1
162.02191	47.3
163.03850	2.1
170.02734	4.6
172.03876	1.7
175.03983	1.6
175.11197	4.6
177.03311	12.2
179.04849	97.6
181.06140	1.8
187.05362	2.4
193.12253	16.4
204.06598	3.0
207.06488	4.4
211.13266	34.6
215.04761	1.6
233.03523	1.6
233.05881	25.2
237.02805	2.3
245.05901	4.8
250.12509	1.5
268.13583	1.8
286.14777	1.9
290.08127	2.1
291.06409	2.8
301.11871	1.8
308.09076	89.0
536.24463	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	32.5
57.03447	11.5
57.07072	18.9
59.96444	7.0
60.08153	9.0
67.05505	30.7
68.87265	5.8
69.00718	7.1
69.07067	57.5
69.93136	7.0
71.08622	14.5
71.60741	10.0
79.05480	16.9
80.02879	8.4
81.07053	42.2
83.08622	40.5
84.97188	6.5
85.16176	6.7
86.09710	23.9
93.07037	26.9
95.08614	46.8
97.06497	9.3
97.10175	26.4
104.10766	50.2
107.08598	15.3
109.10150	28.1
111.11697	10.4
116.68561	7.3
121.10135	47.0
125.00024	15.3
135.11650	35.5
149.13281	15.6
151.14783	8.5
161.20085	6.9
163.14859	12.7
184.07327	52.5
247.24187	45.2
265.25244	87.0
283.26404	12.6
299.06195	7.2
339.28854	100.0
340.44064	8.3
357.29977	27.2
422.59680	6.8
501.34012	8.2
518.36206	8.0
536.37128	19.9
536.45905	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	535.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
55.39920	0.3
62.51394	0.3
67.05531	0.3
69.03423	0.5
70.10620	1.1
81.03432	0.5
81.07043	0.8
85.02911	0.7
86.09691	0.5
91.05487	1.0
93.07029	0.6
95.08599	0.7
97.02924	0.3
98.20841	0.5
104.75880	0.3
105.07019	0.9
107.04942	0.9
107.08579	0.4
109.02876	0.4
109.10148	0.6
119.08619	0.9
127.03910	0.7
133.06496	0.5
137.05975	1.5
138.06325	0.7
138.97839	0.3
140.32504	0.3
140.87645	0.3
143.08614	0.4
161.05984	0.6
184.07520	0.4
191.07146	0.4
201.16443	0.3
203.05312	1.1
259.07904	1.0
269.22684	1.2
287.05664	0.6
317.16068	0.3
324.12909	0.4
325.13684	0.5
373.19809	1.5
505.24451	0.7
507.26050	0.5
535.25153	100.0
536.25354	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
56.05044	0.2
57.03428	0.3
60.04498	0.3
61.02933	0.3
65.03930	0.9
67.05474	0.2
69.03430	1.2
70.06590	2.0
71.17109	0.3
72.08147	0.4
72.48428	0.2
77.03906	0.4
79.05457	0.3
81.03404	0.6
84.04499	0.5
84.08144	1.0
85.02422	0.3
85.02901	3.4
86.09720	1.4
87.57200	0.2
89.03915	0.5
91.05481	12.9
94.70370	0.2
95.04970	0.5
97.02898	1.0
99.04443	0.3
103.05431	0.4
105.03375	0.2
105.07052	0.3
107.04958	0.2
115.03957	0.2
118.04133	0.4
118.26620	0.2
119.04945	22.6
120.08126	0.5
121.06499	0.3
122.03615	0.2
127.03876	0.6
127.08599	0.2
128.93623	0.2
129.03378	0.4
129.10251	0.7
132.02080	0.9
133.02812	0.3
133.06088	0.4
135.04440	0.4
136.05193	0.3
136.07590	0.4
145.02834	0.5
145.04958	0.5
146.03583	0.4
147.04411	20.3
148.04837	0.3
149.02328	0.9
154.25424	0.2
157.03955	1.9
162.03102	0.2
163.03883	0.4
164.04678	0.9
174.03085	0.4
175.03908	36.9
176.04385	0.4
177.05414	0.4
179.07066	1.6
180.08644	0.4
182.74005	0.2
192.04167	1.0
207.06528	100.0
208.06818	0.9
225.07571	0.3
244.99178	0.2
288.05817	0.4
306.11346	0.2
314.78992	0.3
495.62439	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30866	1.4
56.96564	21.0
60.95853	1.2
70.06592	1.5
71.58856	1.6
74.97612	2.8
81.03418	1.6
84.04504	1.6
84.08138	1.6
86.09688	2.2
93.12689	1.2
94.48510	1.2
98.05956	1.3
98.97583	6.6
100.03963	1.4
109.99172	4.8
113.98654	2.1
116.98614	4.3
118.04966	1.4
128.00203	15.7
128.98621	2.0
130.05077	1.3
131.99661	3.6
133.01659	1.9
134.99692	2.8
140.00224	6.3
142.01758	17.6
146.01244	22.2
146.04492	3.7
146.99658	3.5
147.03311	1.9
148.02859	1.7
150.00716	3.1
156.98094	1.4
158.01242	20.4
158.04597	1.7
158.99684	4.3
160.02823	47.6
161.01289	2.3
161.03029	1.3
162.00693	3.8
163.03937	2.4
163.07166	3.0
164.02296	10.4
165.04375	2.4
169.02849	2.5
174.00705	1.9
176.02299	8.5
176.03598	1.7
177.00659	5.0
178.03880	16.6
186.00732	2.8
187.03949	1.7
188.05891	2.7
196.04973	1.3
196.06390	6.2
203.03468	2.1
204.01793	12.8
205.08243	1.6
205.99976	1.2
206.07034	1.5
212.06018	2.6
214.07492	69.2
216.05435	5.0
218.06783	3.0
222.02849	5.4
223.07652	1.9
225.08968	2.0
232.08572	100.0
234.06445	1.5
236.07837	2.5
237.02847	5.6
237.09109	1.9
241.08592	14.0
243.10181	1.9
250.09572	6.8
255.10025	2.3
258.06400	1.3
259.09653	7.6
269.07941	10.2
287.09119	41.1
291.07739	3.2
305.10202	55.8
309.08591	16.4
309.15259	1.3
323.11325	3.3
328.11948	2.3
341.10181	1.7
342.09677	3.8
351.08478	4.1
369.09811	6.5
372.18454	1.4
414.11841	2.9
432.12820	2.3
435.13379	2.6
435.19028	5.5
463.18280	4.8
481.13013	2.5
481.19714	51.2
486.65021	1.5
499.20865	64.8
517.22174	48.2
535.23041	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	535.1085
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.00302	0.1
53.03952	0.5
55.01862	0.3
57.03436	0.5
57.07066	0.1
61.02921	0.8
65.03923	0.1
68.99789	0.8
69.03429	6.3
69.73994	0.3
69.74406	0.3
70.06580	0.4
71.01360	0.2
71.05001	0.5
72.08125	0.1
73.02924	0.7
79.05479	0.3
79.87988	0.1
81.03420	4.5
83.01334	0.1
84.08098	0.1
85.02907	4.2
85.06520	0.1
86.09683	0.2
87.00832	4.3
87.04454	0.1
91.03960	0.5
91.05496	0.2
93.03417	0.1
93.07023	0.2
95.04960	0.3
97.02892	3.1
98.20844	0.2
99.04457	1.2
103.05486	0.1
103.40685	0.1
105.01866	1.9
105.03380	0.3
105.07044	0.2
107.04964	0.5
109.02877	2.5
109.06522	0.1
111.00816	0.8
115.03944	0.1
117.01844	1.1
119.04910	0.1
121.02870	2.8
121.06474	0.1
127.03918	3.6
131.04887	0.1
133.02876	0.6
133.06479	0.1
135.04405	0.3
137.02328	0.8
137.06038	0.1
145.04942	0.9
145.06506	0.2
145.10103	0.1
147.04401	0.7
147.08038	0.1
151.03836	0.1
153.01834	4.1
157.06485	0.5
159.02901	3.5
161.05994	0.2
165.00539	0.1
165.01854	1.9
171.04395	0.3
175.03853	0.1
177.05460	0.1
183.02927	1.0
185.05945	0.6
189.03941	0.1
189.05481	0.2
197.05963	0.3
199.55293	0.1
203.07048	0.2
213.04008	0.2
213.05536	1.4
217.04874	0.2
229.04999	0.2
231.04779	1.8
231.06555	0.4
235.09679	0.2
241.05017	0.9
243.06534	0.1
245.04439	0.2
247.09698	0.1
258.05261	1.2
259.06082	0.5
265.10852	0.2
269.04468	0.3
287.05493	100.0
288.05762	0.7
289.10699	0.2
299.05560	0.2
301.10709	0.4
329.06354	0.2
343.11642	0.2
353.06659	0.2
355.11639	0.3
361.12790	0.1
367.13770	0.3
385.12866	0.1
397.12296	0.1
433.14944	0.2
516.43933	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	533.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29336	0.7
53.03941	4.1
55.01859	2.3
55.05508	32.1
57.03441	4.4
57.07062	3.7
65.03942	3.6
67.05502	79.2
68.05842	0.8
69.03412	1.3
69.07064	31.7
69.41933	4.1
69.42364	3.2
71.04993	5.8
71.08614	1.9
79.05488	31.8
81.03376	0.7
81.07053	100.0
82.07406	0.9
83.04985	3.9
83.08132	1.2
83.08614	18.1
85.06538	6.1
89.42442	0.8
91.05481	26.0
93.07039	33.9
95.04955	4.2
95.08601	80.3
96.08939	0.8
97.06516	10.7
97.10175	8.4
99.08102	3.8
105.06374	1.4
105.07029	19.2
107.08585	14.5
109.06496	2.5
109.10151	20.3
111.08089	3.2
111.11709	1.5
113.09605	1.3
115.07568	0.8
117.07010	2.2
119.08568	20.7
121.10135	13.7
123.08076	3.7
123.11705	6.8
125.09621	1.7
127.07541	1.1
129.06970	1.3
131.08571	3.5
133.10132	15.6
135.11711	9.2
137.09589	2.7
137.13225	6.8
143.08574	1.5
144.45433	0.8
145.10132	3.3
147.11688	4.2
149.13275	3.5
151.14787	2.2
153.12813	1.1
159.11702	2.8
161.13240	20.9
163.14754	2.0
163.74033	0.8
165.14145	0.8
171.11678	1.3
173.13295	1.5
175.14842	2.5
177.16412	1.1
179.12872	1.2
179.14294	7.4
185.13397	0.8
187.14719	1.0
188.70395	0.8
189.16382	1.0
192.07616	0.7
201.16418	0.8
245.22620	1.6
253.18010	18.9
263.23654	5.3
337.27368	9.5
423.36230	1.4
441.37311	3.6
459.38327	3.3
515.40900	6.7
533.25543	1.5
533.34979	2.2
533.41968	42.0
534.42188	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.05507	21.1
57.03429	7.7
57.07068	11.5
58.77556	2.6
61.02915	10.2
67.05500	100.0
69.07064	30.3
69.85327	17.7
71.08618	5.7
73.92186	2.6
79.05485	29.0
81.07054	96.0
83.08604	22.5
85.02914	7.7
85.06587	3.1
89.05438	2.8
91.05485	20.1
93.07043	31.1
94.49983	2.9
95.04953	4.1
95.08599	93.5
97.02879	5.9
97.06527	10.2
97.10171	16.0
99.08070	6.4
105.07014	14.4
107.08586	18.1
109.10152	45.8
111.08074	5.9
119.08593	15.7
121.10143	26.9
122.52066	2.7
123.11723	26.4
127.11174	3.8
133.10120	21.0
135.11673	12.9
137.13246	10.4
146.86102	2.7
147.11678	11.0
149.13261	11.8
151.14807	7.9
153.12650	3.9
155.14261	5.4
161.13202	17.7
163.14813	10.4
165.16386	9.1
167.43715	2.7
174.04567	3.4
175.14839	13.2
179.17960	5.0
189.16367	5.8
227.19876	4.5
227.44725	3.7
245.22635	73.2
263.23679	82.7
337.27371	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1086
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03946	1.7
53.25520	0.1
55.01874	1.9
57.03432	0.9
61.02917	1.0
63.65248	0.2
67.01849	0.2
67.05521	0.2
68.99787	1.7
69.03431	6.3
69.78126	0.6
69.78544	0.5
70.06586	0.6
71.04983	0.9
73.02912	1.3
79.05484	0.3
81.03423	7.7
81.07059	0.2
83.01341	0.4
84.08141	0.2
85.02908	10.6
86.09706	0.4
87.00830	4.7
91.03960	0.6
91.05466	0.2
93.07039	0.2
97.02896	4.0
99.04462	2.1
103.05525	0.2
105.01864	2.7
105.03366	0.2
107.04966	0.5
109.02882	6.4
109.36534	0.2
110.07201	0.2
111.00812	0.7
111.04460	0.3
116.51719	0.1
117.01852	1.1
119.08537	0.2
121.02870	2.7
125.34791	0.2
127.03918	9.2
129.01871	1.0
133.02837	0.3
135.11700	0.2
137.02345	0.6
145.04958	2.5
145.06059	0.2
145.06584	0.2
147.02873	0.5
147.04422	0.5
153.01830	4.0
157.06456	0.4
159.01550	0.2
159.02878	3.8
159.04092	0.3
163.03935	0.3
165.01840	1.7
175.03983	0.2
183.02895	0.8
185.05978	0.4
189.05463	0.3
197.11116	0.2
210.67944	0.2
213.03780	0.3
213.05495	1.4
231.04701	1.0
231.06911	0.3
241.04962	0.7
243.06422	0.2
258.05215	1.0
259.05969	0.5
287.05499	100.0
288.05841	0.6
329.06519	0.4
535.21478	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.42
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01857	1.8
55.05508	29.6
55.31570	1.0
57.03439	5.0
57.07052	2.7
65.03935	4.1
67.05500	83.5
69.07064	27.3
69.54311	6.6
71.05000	6.0
71.08640	1.7
77.03925	1.2
79.05489	33.9
81.07051	100.0
83.04974	2.9
83.08620	16.3
85.06524	6.9
91.05473	27.4
93.07039	29.0
93.07627	1.7
95.04958	3.8
95.08601	86.0
97.06516	10.2
97.10182	7.5
99.08089	4.1
105.04535	0.9
105.07030	18.0
107.08587	16.4
109.06504	2.6
109.10148	19.7
111.08086	3.3
111.11686	1.3
113.09634	1.6
117.06995	1.7
119.08570	22.0
121.10143	13.0
123.08073	3.7
123.11694	6.0
125.09592	1.7
127.11192	1.1
131.08554	3.6
133.10126	12.8
135.11691	8.4
137.09610	3.4
137.13248	7.7
145.10126	3.4
147.11694	4.3
149.13229	4.2
151.14807	2.0
157.10153	1.2
159.11726	2.4
161.13243	25.9
163.14850	1.7
171.11708	1.7
175.14847	2.3
179.14310	9.1
187.14915	2.0
189.16443	1.0
197.15385	1.1
199.14838	1.4
245.22662	2.9
253.17958	22.5
263.23810	5.0
293.35938	1.1
337.27368	10.8
423.36240	1.4
441.37390	3.2
459.38159	1.9
515.41608	5.1
533.34320	4.7
533.41962	40.7
549.29553	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67653	0.4
55.01863	0.5
65.03947	0.4
66.04735	0.5
67.61059	0.4
69.87097	2.1
77.43014	0.4
79.05489	2.1
81.07048	1.2
91.05462	1.8
94.04182	4.3
95.04938	0.7
95.69073	0.4
103.05444	1.3
105.07028	4.8
107.04944	5.2
107.91634	0.4
109.06510	1.4
115.05428	2.5
118.04122	0.5
119.08585	0.6
121.06532	0.9
122.03650	10.0
128.06226	2.2
129.07004	0.9
130.88327	0.4
131.04924	1.1
133.06490	4.9
135.04443	0.5
137.05975	100.0
138.06322	0.8
139.05357	0.5
141.06996	1.1
143.04941	0.6
143.06071	0.5
143.08536	0.5
143.41824	0.5
144.05626	0.5
145.06464	1.6
146.03650	2.5
147.08055	1.4
149.05978	2.2
151.07500	0.7
156.05661	1.2
157.06496	0.8
159.08102	0.9
161.05981	28.5
168.05692	0.7
171.08025	3.0
175.07544	1.5
179.08537	0.6
184.05196	2.0
185.05911	0.8
187.07564	1.7
189.07011	0.9
191.08531	1.4
192.09245	0.7
199.07545	11.0
201.09137	1.2
202.07755	8.8
203.08560	12.7
203.10397	0.9
204.09282	0.9
205.06487	1.5
205.10150	0.6
215.08522	1.0
217.06516	0.5
218.07253	0.6
219.08075	4.2
220.08824	4.0
229.07333	0.4
230.07303	1.3
231.08049	19.1
232.08835	5.0
233.06026	0.5
233.09602	1.1
235.07550	0.6
235.11270	1.2
237.09038	1.0
243.07936	0.4
245.09639	1.0
247.07495	2.9
248.08336	11.1
248.10753	0.8
249.09167	1.3
258.06778	1.0
259.07535	14.1
260.08322	9.6
261.05316	0.4
261.09064	1.4
262.09970	1.0
263.10690	9.9
265.08597	2.3
273.09079	0.6
275.07083	1.5
276.07813	8.0
277.08698	3.5
279.10287	0.6
280.11008	0.9
290.09409	0.6
291.10144	44.0
292.10880	4.1
293.08084	2.3
295.09949	1.0
295.13309	3.4
308.10321	2.2
311.12866	0.6
323.12781	36.0
324.13300	1.3
325.14282	0.7
421.78152	0.5
456.25293	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53072	0.6
53.03935	1.2
54.26198	0.6
55.01856	0.9
67.05486	1.4
69.03426	2.4
70.06580	1.6
70.25647	0.8
70.25988	2.6
78.29682	0.7
78.66635	0.7
79.05487	3.5
81.03395	2.1
81.07043	2.7
85.02898	2.1
86.09696	1.1
87.00835	0.6
91.05479	5.2
93.07056	1.8
94.04189	4.0
95.04959	2.9
95.08610	1.5
96.22905	0.6
97.02922	1.1
97.10211	0.6
99.04424	1.2
103.05449	1.7
105.01849	1.0
105.07025	6.0
107.04952	53.9
107.08596	1.6
109.06499	2.5
109.10197	0.9
115.05437	1.2
117.06979	1.0
119.04946	2.5
119.08605	3.3
121.06487	1.8
122.03643	8.5
123.04469	0.7
124.58610	0.6
127.03935	1.3
128.06218	2.4
129.06995	1.7
131.04907	1.8
131.08594	1.2
133.06483	14.1
133.10089	0.8
135.11612	0.9
137.05974	100.0
138.06366	0.9
141.07008	1.1
141.15221	0.7
143.04889	0.8
143.08545	1.9
145.06464	0.9
145.10179	0.7
147.08023	4.4
149.06023	4.5
151.07532	13.0
151.08659	1.2
157.06448	1.8
157.10086	0.8
158.07292	2.3
159.11629	1.0
160.05182	0.8
161.05986	1.9
161.09653	0.8
163.07541	1.2
165.05496	0.7
169.06479	2.0
169.10152	0.7
171.07999	1.3
172.05225	0.9
173.13240	0.7
174.06729	1.6
175.07555	2.8
183.11772	0.7
186.06754	3.4
187.07521	7.5
189.07018	0.9
189.09103	2.6
190.07758	1.0
191.08542	1.5
192.09337	1.1
194.07219	0.7
197.13251	1.0
199.07552	2.3
199.14864	0.8
201.09108	31.8
202.07784	3.3
202.09610	0.8
203.08543	12.1
205.06531	2.1
205.10201	1.4
206.07402	0.8
217.08533	1.7
218.07265	1.6
219.08089	4.9
220.08817	5.8
221.09538	1.2
225.09103	1.4
231.08035	12.5
231.49420	0.7
232.08893	3.6
233.05968	1.9
233.09531	2.4
234.06816	1.1
235.07703	1.0
235.11157	0.8
237.09229	1.1
247.07558	5.2
248.08347	16.3
249.09070	2.8
250.06244	1.6
251.10608	0.8
259.07538	5.4
260.08344	3.7
261.06085	0.7
261.09039	4.2
262.06201	0.7
262.09973	1.9
263.10648	15.0
263.13260	1.2
264.07834	1.4
265.08606	5.2
265.12231	1.4
267.21085	1.8
270.08685	1.0
275.07034	1.2
276.07806	9.3
277.08536	6.5
278.05746	1.7
278.09351	0.8
279.10199	2.9
280.10928	1.6
281.08179	0.8
283.09723	1.4
290.09387	1.9
291.10135	33.7
292.07742	0.9
292.10724	4.6
293.08170	12.2
293.11649	2.2
295.09698	1.2
296.10544	1.7
297.11288	1.1
305.11694	0.8
307.09579	1.7
308.10468	5.4
310.11984	1.3
311.12811	1.6
323.12778	71.5
324.13254	1.1
325.14340	23.1
341.13992	2.8
344.64389	0.7
365.49951	0.7
439.85397	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59383	0.7
58.79841	0.7
61.49328	0.7
66.04725	0.9
69.97048	2.6
69.97463	1.7
70.06560	0.8
79.05493	2.6
81.07066	0.8
85.79329	0.8
91.05494	2.6
94.04175	3.8
95.08569	1.0
103.05486	1.7
105.07039	6.8
107.04960	13.9
109.06541	2.5
115.05447	2.0
119.08569	1.2
121.06500	1.7
122.03639	7.2
128.06247	2.0
131.04932	1.0
133.06497	7.7
137.05971	100.0
141.06953	1.1
145.06487	1.3
145.76044	0.8
146.03645	2.4
147.04416	1.2
147.08067	2.5
149.05997	2.5
151.07591	2.1
156.05771	1.3
159.08127	0.9
161.05968	25.4
163.07594	1.0
168.05666	1.1
171.08064	2.5
175.07509	1.5
184.05125	0.9
186.06718	0.8
187.07571	3.4
191.08534	2.4
193.05075	1.0
199.07533	11.4
201.09131	5.1
202.07767	8.6
203.08551	13.8
204.09320	1.3
205.04953	4.2
205.06596	1.4
215.08669	1.0
219.08070	5.2
220.08815	4.2
220.99562	0.9
230.07306	1.8
231.08052	21.5
231.09843	0.8
232.08769	4.2
233.06178	1.1
233.09633	1.7
235.11166	1.7
237.09099	1.7
245.09743	1.4
247.07491	4.1
248.08307	14.1
249.09103	1.9
258.06741	1.6
259.07547	15.2
260.08270	9.2
261.09143	2.1
262.09921	1.1
263.10681	11.8
265.08627	2.8
273.11359	1.3
275.06985	2.2
276.07788	8.8
277.08670	4.7
279.10107	1.2
280.11041	1.3
291.10132	50.8
292.10837	5.0
293.08096	3.5
295.09995	1.4
295.13284	3.5
308.10403	4.0
311.12781	1.4
323.12759	57.5
324.13312	1.1
325.14221	3.9
371.18564	1.9
442.80258	0.8
459.18213	0.8
551.32697	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99355	0.6
54.87201	0.5
57.03419	1.8
61.02913	2.3
69.03423	7.0
69.95932	2.9
73.02901	1.6
73.03490	0.5
73.20089	0.5
81.03419	3.1
83.01321	0.6
85.02901	16.6
87.04476	0.9
97.02893	2.8
99.04459	1.4
101.02367	0.7
103.03931	0.8
109.02882	1.7
120.88096	0.5
127.03922	2.6
129.10330	0.5
135.04398	0.7
145.04974	1.9
149.02347	0.8
153.05423	1.0
163.03902	16.4
191.03375	1.2
192.04160	8.4
193.05025	0.7
197.88690	0.5
205.04921	0.9
205.94786	0.6
209.04443	100.0
210.04808	0.9
217.74515	0.6
233.04480	0.7
315.70319	0.5
371.09720	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	533.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.01861	1.1
57.03422	1.3
61.02917	1.3
65.03930	0.8
67.05476	1.3
68.99771	1.9
69.03423	2.9
69.07062	1.2
70.06591	9.8
70.27294	1.8
70.27682	1.6
71.04962	1.2
72.08153	1.9
78.04712	2.6
79.05492	8.9
81.03413	3.8
81.07041	3.0
83.04980	1.3
84.04491	1.9
84.08131	4.0
85.02901	6.9
86.09708	4.1
87.00823	1.1
88.21440	0.9
91.05466	5.6
93.07036	2.4
95.04947	4.8
97.02921	1.9
103.05466	3.9
105.07027	9.7
106.04175	1.4
107.04947	13.6
107.08574	1.6
109.02876	1.9
109.06545	1.6
110.07156	0.9
115.05473	3.4
116.07107	1.3
117.07018	1.7
118.04181	1.5
118.05030	0.7
119.04903	1.3
119.08584	2.6
120.08071	1.9
121.06541	1.7
121.10120	1.2
123.04428	8.4
123.08049	0.7
124.05208	3.7
125.05988	3.3
127.03893	2.4
128.06207	3.0
129.01910	1.1
129.06995	8.0
129.10222	2.0
130.04195	1.0
131.04916	3.8
131.08559	2.5
132.05733	1.9
133.06471	6.0
135.04457	1.7
136.07547	1.4
137.02309	4.7
137.05956	3.8
141.07013	1.0
144.05721	1.3
145.05016	1.0
145.06415	2.7
147.04372	1.7
147.08029	2.6
148.07581	1.0
149.02315	0.9
149.06064	1.3
151.03938	1.3
152.04681	2.3
153.01813	1.6
153.05475	1.9
156.05753	0.9
157.06438	0.9
157.09840	0.8
159.08015	5.8
160.05200	1.9
161.05992	8.7
163.03902	2.2
163.07352	0.9
165.01872	1.4
167.07025	100.0
169.06493	1.7
171.08054	1.1
172.05186	2.1
173.05930	1.0
173.09592	1.2
175.07545	25.1
176.04704	1.0
177.05472	2.0
184.05206	1.2
187.07520	23.7
187.09166	1.7
187.11122	1.4
189.09067	2.7
190.07822	1.2
191.07042	8.6
191.08568	1.6
193.04950	0.9
199.07521	12.0
199.51497	1.0
201.05460	2.7
201.25507	1.0
202.07755	2.3
203.08507	2.5
204.09378	1.1
205.06596	1.4
206.07277	1.2
207.08072	1.4
209.08112	1.9
215.08771	1.6
215.10608	1.6
217.08546	1.8
218.07249	3.1
219.08034	3.6
220.08932	1.0
221.09622	3.3
231.08095	2.3
232.08905	1.6
233.09592	3.0
233.11740	1.6
234.06868	1.3
235.07503	1.4
246.06644	1.5
247.07584	1.5
248.08249	1.4
249.09096	3.9
251.06898	1.4
260.08450	2.1
261.09000	5.2
263.06912	1.8
274.06265	1.0
275.07297	0.9
276.07596	0.9
277.08554	1.7
278.09296	1.9
281.11639	7.2
287.05508	1.7
289.08585	4.7
290.09225	1.0
291.10013	1.9
293.08255	1.3
293.11673	2.4
294.08939	1.5
295.05988	0.9
299.05472	1.3
303.04953	14.6
306.08911	1.9
307.09695	1.6
309.11203	6.4
311.09006	1.1
315.04956	6.8
321.11209	9.4
322.11856	1.3
325.14407	0.9
326.11490	2.2
327.04987	9.2
339.05090	1.2
341.06949	5.1
341.13754	18.6
353.13794	11.3
355.08139	2.2
369.05981	9.5
377.02286	1.3
392.98746	1.1
393.05939	2.2
411.07040	6.4
429.08209	1.6
447.08716	1.1
533.09271	3.9
533.20447	1.3
542.45667	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
53.22408	0.1
57.03416	0.2
58.90270	0.1
61.02900	0.5
61.03174	0.1
63.80301	0.1
64.69009	0.1
68.99812	0.1
69.03421	0.7
69.39375	0.2
69.39779	0.9
70.06562	0.2
72.08147	0.2
73.02899	0.1
76.96062	0.1
77.58228	0.1
81.03406	0.5
84.08126	0.1
85.02897	2.4
86.09689	0.2
91.03948	0.2
97.02874	0.8
97.21604	0.1
107.04897	0.1
109.02858	0.3
123.00786	1.7
127.03903	0.6
135.04385	0.1
141.01825	0.5
145.04912	0.5
163.03928	1.0
191.03386	1.9
209.04430	100.0
210.04756	1.0
371.09729	2.3
533.22223	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.8
55.01871	1.8
55.05513	36.9
55.05784	2.3
57.03438	7.4
57.07066	4.1
58.58589	0.9
65.03944	4.3
67.05505	80.6
69.03415	1.5
69.06712	2.1
69.07070	27.4
69.36418	11.2
71.04995	7.4
77.03933	1.1
79.05495	60.6
81.07056	99.6
81.23354	1.1
83.04996	5.3
83.08618	18.2
85.06560	7.4
88.06041	1.0
91.04891	1.3
91.05482	39.3
93.07048	60.0
95.04980	8.1
95.08608	96.0
97.06537	12.3
97.10148	6.0
99.08120	5.6
104.55717	0.9
105.04522	1.0
105.07029	33.6
107.08592	27.7
107.09287	2.3
109.06525	3.5
109.10162	21.8
111.08081	3.7
113.09682	1.4
115.05507	1.4
117.07021	8.2
119.08582	31.8
121.10149	28.1
123.08057	5.2
123.11716	7.4
125.09645	1.5
129.07040	2.0
131.08575	15.7
133.10139	26.6
133.11084	2.0
135.11691	18.9
137.09673	3.5
137.13269	7.0
138.95389	1.0
142.59656	1.1
143.08582	2.9
145.10129	9.4
147.11690	10.0
149.13261	9.4
151.14845	1.5
157.10175	4.0
159.11684	8.7
161.13261	31.2
163.14848	4.1
171.11702	2.1
173.13251	9.2
175.14876	4.5
177.12779	1.8
177.16344	1.5
179.14322	12.9
181.10202	1.2
185.13286	2.1
187.14845	5.4
189.16330	1.7
195.13814	1.8
199.14972	1.7
201.16411	1.9
243.21204	2.6
253.17993	31.9
259.20557	1.4
261.22079	9.9
270.81720	1.1
317.24890	2.4
335.25851	12.1
338.56015	1.3
421.34686	1.5
439.35669	8.1
457.36676	4.3
505.16992	1.1
509.80704	1.2
513.39429	13.1
531.40448	100.0
532.40564	2.2
552.17456	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.3
53.20185	1.2
55.01862	1.6
55.05261	2.2
55.05507	34.5
57.03428	6.1
57.07063	3.0
63.67376	1.4
65.03928	5.0
67.05501	85.1
69.03432	1.5
69.07063	26.0
69.70853	4.9
69.71267	3.7
71.04988	7.7
74.98074	1.2
79.05488	52.8
79.49673	1.5
81.07052	100.0
83.04967	4.7
83.08612	19.6
85.06527	5.4
91.05476	40.3
93.07040	59.3
95.04965	6.6
95.08602	81.6
97.06528	9.4
97.10162	6.4
99.08101	3.7
105.04476	1.6
105.07022	34.3
107.08591	26.9
109.06515	2.9
109.10151	23.1
111.08053	4.0
117.07023	9.8
119.08574	30.6
121.10147	22.3
123.08047	4.6
123.11703	5.5
125.09602	1.7
129.06996	2.5
131.08546	12.1
133.09125	1.6
133.10126	22.9
135.11679	19.9
136.78236	1.3
137.09634	3.9
137.13260	5.1
143.08537	3.5
145.10095	11.2
147.11684	8.3
149.13214	7.1
155.08560	1.6
157.10144	3.2
159.11652	9.2
161.13254	23.6
163.14799	2.5
171.11678	1.7
173.13252	7.6
175.14847	2.7
177.12775	1.8
179.14317	9.6
185.13225	1.5
187.14804	4.6
189.16498	1.4
201.16354	1.5
243.21097	1.8
245.19225	1.8
248.45760	1.4
253.17958	21.5
259.20645	2.4
261.22147	10.0
263.23712	2.1
317.24689	1.9
335.25702	10.0
381.06619	1.4
439.36035	7.0
457.37015	4.4
494.95651	1.4
513.39392	11.5
531.40405	76.0
532.41571	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2933
Annotation	Asn Ile Glu Arg
Peak:m/z	Relative Intensity
68.30275	0.6
69.71909	2.9
69.72320	1.6
81.07051	1.1
83.35332	0.6
93.75192	0.6
98.21524	1.3
119.69369	0.6
147.04399	0.7
311.20859	0.8
530.71429	0.7
531.29279	100.0
532.29608	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	531.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50897	1.5
53.03937	4.7
55.01860	4.1
55.05259	2.4
55.05511	36.4
57.03424	5.5
57.07079	3.1
65.03923	5.8
67.05501	85.2
69.07063	26.7
71.04986	5.7
75.89390	1.6
77.03912	1.7
79.05492	58.6
81.07051	100.0
82.23530	1.4
83.04970	4.3
83.08611	20.8
85.06541	4.9
91.05470	40.5
93.07039	55.0
93.07625	2.8
95.04972	8.2
95.08600	91.6
97.06499	12.1
97.10170	6.0
99.08069	5.5
100.12769	1.5
105.06371	3.0
105.07028	29.5
105.07672	1.2
107.08588	22.2
109.06532	2.0
109.10154	19.9
111.08078	2.6
117.07006	8.1
119.08579	28.7
121.10136	24.3
123.08094	5.1
123.11711	5.6
129.06987	2.1
131.08549	13.8
133.10130	24.3
135.11676	15.1
137.09676	1.5
137.13301	4.8
143.08559	2.4
145.10150	9.0
147.11702	7.9
149.13219	6.0
157.10103	2.2
159.11687	8.8
161.13252	22.9
163.14828	3.9
166.08714	1.6
168.45345	1.6
173.13287	7.2
175.14729	3.2
179.14268	9.7
185.13304	2.1
187.14815	1.5
201.16432	2.0
229.74329	2.1
243.21204	1.8
253.17979	22.0
261.22168	9.8
263.23700	2.5
272.92603	1.5
278.35117	1.7
335.25885	9.3
370.08606	1.5
393.88589	2.0
439.35587	4.2
445.67908	1.6
457.36761	1.9
477.56677	1.9
513.39392	9.6
531.40424	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79239	0.2
53.03944	0.2
55.05513	0.5
63.02385	0.4
63.04182	0.2
65.03944	0.2
67.01880	0.8
67.05509	0.5
68.99814	0.5
69.03435	1.3
69.07074	0.3
70.06605	0.7
71.04990	0.5
71.59214	0.4
74.31331	0.2
75.15185	0.2
79.05493	0.6
81.03412	2.8
81.07066	0.7
82.06584	0.2
83.04987	0.3
84.08177	0.3
85.02912	2.2
86.09740	0.6
87.03024	0.2
89.03904	2.9
91.05482	1.3
93.07042	1.2
95.04998	0.4
95.08609	0.6
97.02885	0.8
98.52628	0.2
99.04478	0.5
103.05470	0.3
105.07050	0.8
105.55334	0.2
107.04932	0.4
107.08592	0.7
109.02872	1.7
109.10146	0.5
111.04436	0.3
117.03373	8.4
117.07009	0.7
119.04945	0.2
119.08588	0.8
120.08151	0.3
121.10168	0.7
123.08073	0.3
123.11668	0.3
125.05995	1.5
127.03903	1.5
131.08563	0.3
134.03641	0.8
135.04395	1.2
137.05997	0.6
137.13286	0.2
142.03194	0.2
145.02844	21.9
145.10115	0.5
147.04405	1.2
147.11642	0.3
149.05980	3.0
151.03906	0.9
151.07574	0.3
153.01813	0.9
159.11754	0.4
163.03902	0.9
167.07039	0.3
169.04938	0.6
171.11653	0.3
175.03900	0.5
175.11119	0.3
177.05469	56.0
178.05797	0.7
186.05499	0.7
188.10680	0.4
190.12207	0.3
193.04959	100.0
194.05305	1.5
195.06517	0.6
207.06496	0.7
227.14439	0.3
235.05998	0.3
244.99435	0.3
272.78989	0.2
280.93152	0.2
321.09714	3.7
327.08517	0.4
339.10715	1.8
499.16867	0.4
531.19244	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04578	1.6
56.96288	2.5
56.96556	32.5
58.61982	1.2
60.95842	3.4
68.99908	1.3
69.42638	8.0
69.43044	3.5
72.96046	1.2
74.97602	2.9
81.60185	1.2
82.06548	3.4
83.04972	4.5
83.97652	1.7
86.09693	1.4
97.99142	3.2
100.07632	1.3
106.52576	1.4
109.99143	8.9
113.98447	1.5
116.00165	3.8
119.99533	1.7
124.00691	2.7
128.00186	20.4
128.98546	2.9
131.99467	4.1
133.01726	3.0
134.01219	2.0
138.02206	1.6
140.00171	15.4
142.01740	30.3
143.99545	3.8
146.01227	23.3
146.99580	2.5
148.02850	1.6
150.00511	3.9
151.02623	1.6
154.01738	4.5
155.01262	1.5
156.03313	4.5
156.98048	2.3
158.01239	43.8
160.02808	78.9
161.02937	2.6
162.00563	4.7
164.02321	5.2
168.01622	1.3
168.03281	2.6
171.04355	2.0
172.02803	18.5
173.02316	6.0
174.00706	2.2
174.99100	1.7
176.02254	16.0
177.01593	4.3
178.03880	24.4
178.05392	2.8
180.01669	1.6
183.00839	1.7
183.04482	1.8
184.02699	2.2
186.00716	4.4
186.04366	9.8
190.03816	12.0
191.03369	2.4
192.01746	1.8
194.03152	2.6
196.06458	10.1
198.04408	2.4
201.01860	5.4
204.01788	16.1
204.05371	2.3
205.01099	1.5
210.04366	7.8
212.05829	1.7
214.07484	74.4
215.03503	2.3
216.05414	1.8
219.02817	6.9
221.05869	3.1
222.02663	7.0
223.02031	2.9
223.07523	1.9
225.09148	3.1
228.05444	12.1
232.04787	2.8
232.08540	85.7
234.29419	1.4
237.05443	4.5
238.03868	1.9
239.07098	9.6
240.05412	5.4
241.08540	15.7
243.06310	3.9
243.10063	3.3
250.09560	6.7
255.06480	3.6
258.06378	1.6
259.09644	6.0
265.04953	5.9
269.04572	2.1
269.08029	9.7
274.03461	1.8
283.02640	2.2
283.05890	12.9
287.05820	2.8
287.09103	52.5
301.07025	25.7
305.06403	13.1
305.10126	100.0
307.72916	1.6
310.10544	2.5
319.08011	6.6
323.07925	1.9
323.11307	13.4
324.08755	4.0
328.11960	3.1
331.05426	3.0
341.10193	2.9
342.09552	3.5
346.05588	2.2
351.08438	1.8
360.10648	2.4
367.13010	3.3
369.09720	7.5
395.12433	9.6
396.10962	1.8
398.12512	2.0
413.13519	38.2
414.11884	2.0
422.15860	2.8
428.09921	2.4
431.14825	41.9
432.13272	3.0
449.16373	2.6
459.15311	3.9
477.16599	25.7
495.17657	59.1
513.18774	64.1
531.19568	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	531.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29615	0.8
59.60842	0.8
64.69463	0.8
67.05511	1.0
69.03398	0.9
71.60003	1.3
71.89201	0.8
81.07069	1.1
91.05487	1.0
95.08559	1.0
97.02876	0.8
107.04935	1.0
107.08680	1.1
181.84001	0.9
293.19754	1.0
342.10577	1.1
360.56787	0.9
361.76968	1.0
457.24356	1.2
531.29291	100.0
532.29657	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	530.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.3
55.01857	1.2
55.05503	3.7
56.04998	1.7
57.03407	2.5
61.02925	10.0
65.03905	0.8
67.05177	0.9
67.05496	9.9
69.03426	3.9
69.07070	3.4
70.06581	6.1
70.25532	2.2
71.04954	0.8
72.08133	1.5
73.02914	4.4
73.43170	0.6
74.06049	0.7
79.05492	9.5
80.04969	0.9
81.03374	2.5
81.07057	10.5
82.06573	0.7
83.04961	1.2
83.08581	2.7
84.04455	1.3
84.08108	2.0
85.02903	9.7
85.06498	1.1
86.09705	3.3
91.03959	4.5
91.05476	24.3
93.06485	0.6
93.07034	7.7
94.06530	0.6
95.04913	2.2
95.08597	6.3
97.02885	7.1
97.06521	1.1
99.04444	0.9
102.16870	0.7
103.05433	1.1
105.07027	27.8
106.06563	1.2
107.04918	1.9
107.08612	4.4
109.02836	1.5
109.06486	1.7
109.10094	1.9
111.04463	0.7
111.07991	1.0
115.05450	2.1
117.03447	0.6
117.06226	1.2
117.07010	18.9
119.04953	2.9
119.08563	6.8
120.08066	1.2
121.06456	1.5
121.10104	2.5
123.08031	0.7
127.03862	1.8
128.06212	3.1
129.06151	0.9
129.07011	12.3
129.10197	0.7
130.07771	0.9
131.08562	50.8
133.06416	2.5
133.10098	3.3
135.04356	1.1
135.08018	2.2
135.11649	2.2
136.07532	0.7
136.48940	0.7
137.09575	0.7
141.06961	2.1
142.07732	1.2
143.08554	11.2
145.02762	1.0
145.04958	1.0
145.06401	1.0
145.09047	1.1
145.10127	14.8
147.04398	0.9
147.08073	3.4
147.11676	1.2
149.05991	0.9
149.09593	1.4
151.11160	1.2
155.08528	3.4
157.10130	7.0
159.07948	2.1
159.11656	1.8
161.09572	1.8
163.03801	1.2
167.08524	1.1
169.10117	1.9
171.11636	2.6
173.09579	1.1
173.13043	0.7
175.03928	1.7
175.11122	0.9
177.05412	1.2
181.10077	4.6
183.11540	0.7
185.13232	0.9
191.08151	0.8
193.04913	2.0
194.15366	2.8
195.11670	1.6
197.13173	1.3
207.06554	4.5
208.03687	3.4
213.16360	2.6
223.06001	6.9
223.14758	4.6
231.17389	1.7
239.05612	1.1
241.15863	3.9
243.17439	0.9
258.18491	3.8
259.16946	11.3
268.19052	1.5
276.19586	5.2
277.17947	1.4
286.19968	3.7
333.20630	19.0
333.24680	1.0
350.23279	14.5
368.24295	100.0
369.24518	1.3
377.01730	2.1
395.02853	1.5
512.28516	1.7
513.18994	0.8
517.40192	0.6
530.29596	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	529.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.7
55.01868	2.3
55.05259	1.5
55.05510	21.4
57.03431	3.1
57.07068	3.4
65.03933	3.7
67.05504	68.0
69.03407	1.3
69.07066	21.2
69.07446	1.0
69.32318	3.2
69.32738	7.7
71.04987	4.0
73.02914	1.0
79.05490	51.0
81.07056	71.4
83.04978	4.2
83.08627	10.9
85.06551	2.9
87.80785	1.0
91.04922	0.8
91.05475	30.7
93.07043	68.0
94.07390	1.0
95.04961	9.7
95.08606	32.4
97.06536	6.7
97.10170	2.8
99.08094	2.1
105.04520	1.9
105.07031	20.2
105.07747	1.1
105.42913	1.1
107.04996	1.0
107.08591	31.5
109.06525	2.9
109.10153	11.1
111.08031	5.4
113.09618	1.1
117.07015	10.5
119.08573	13.4
121.06413	1.3
121.10139	27.8
123.08089	1.1
123.11682	2.1
129.07005	2.1
131.08580	15.4
133.10130	13.7
134.95300	1.0
135.08070	1.9
135.11693	18.0
139.11180	2.1
141.68932	1.3
143.08568	4.5
145.10101	10.8
147.10669	1.2
147.11630	6.6
149.13248	27.8
155.08522	1.6
157.10182	3.0
159.11702	15.9
161.13278	4.0
163.14819	1.3
169.10205	1.8
171.11723	3.8
173.13289	4.1
175.14865	1.5
177.12753	5.5
185.13229	2.2
187.14862	2.2
189.16344	1.1
195.13879	5.8
201.16432	1.7
243.21014	1.4
250.38419	1.0
261.22052	5.3
298.86072	1.1
299.23685	1.4
317.24814	1.4
419.33087	2.0
437.34351	5.0
455.35263	2.1
511.37549	2.4
529.38867	100.0
530.39526	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	527.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	29.0
56.36323	5.6
57.03431	14.3
57.07076	76.5
63.98048	5.9
67.05503	51.6
69.07066	30.3
71.04965	6.5
71.08622	45.7
79.05499	45.4
81.03396	8.1
81.07063	83.1
83.08623	29.2
85.10195	30.9
89.06035	57.4
90.06403	5.7
90.62430	6.7
91.05497	36.1
93.07031	27.6
95.08600	100.0
97.06516	12.7
97.10146	10.3
98.20695	12.8
105.07044	28.7
107.08562	12.0
109.10163	26.5
119.08573	35.4
121.10143	13.4
123.11742	8.8
131.08524	12.4
133.08597	43.0
133.10101	16.1
135.11713	8.3
137.13217	10.2
143.08591	6.3
145.10056	10.3
157.10199	7.5
159.11658	7.1
161.13257	21.2
161.15352	6.6
169.10088	6.4
177.11238	9.3
179.14259	20.9
198.40532	6.4
221.53654	6.2
229.70621	6.3
239.23744	12.0
253.17957	33.9
267.36783	8.4
271.19177	42.5
300.45569	7.2
313.27310	89.7
327.20200	7.5
328.20480	12.3
335.68756	7.2
435.32700	7.7
440.29297	6.7
509.42084	48.4
527.37085	55.6
528.37372	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	529.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.05507	11.5
56.81307	1.5
57.07064	3.3
64.54945	1.7
65.03919	2.9
67.05501	51.7
69.07062	17.8
69.56443	3.7
69.56856	10.1
71.05000	2.5
79.05002	2.1
79.05487	39.3
80.23883	1.6
81.03394	1.9
81.07053	51.6
83.08629	10.7
85.06538	2.8
91.04957	2.5
91.05479	26.2
93.07035	44.6
93.07618	2.4
93.13092	1.7
95.04946	5.1
95.08603	32.9
97.06496	4.1
97.10146	2.2
98.20605	1.6
105.07010	15.8
107.08581	21.3
109.06484	2.6
109.10137	9.5
111.08074	3.0
117.07015	7.7
119.08570	12.6
121.10135	19.9
123.08078	1.7
123.11703	2.2
129.07010	5.2
131.08548	18.3
133.10103	11.5
135.11708	12.8
143.08549	4.1
145.10109	11.9
147.11679	5.6
149.13225	13.7
157.10147	4.5
159.11674	13.0
161.13216	2.8
169.10098	3.2
171.11732	4.5
173.13303	4.5
185.13181	2.2
187.14880	3.6
195.13832	9.0
201.16377	1.8
261.22083	3.9
285.21927	2.2
437.34106	8.4
455.35220	3.0
471.51617	1.7
473.36734	2.5
511.37979	5.4
529.38892	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.4
53.03935	4.0
55.05507	15.6
57.03440	4.5
57.07068	2.6
58.35081	0.9
65.03925	3.7
67.05499	64.4
69.07064	21.8
71.04975	5.3
79.05488	57.3
81.03423	1.9
81.07051	69.0
83.04973	3.6
83.08611	11.0
85.06542	3.4
91.05470	29.9
93.07035	64.5
95.04972	8.4
95.08601	35.9
97.06521	7.9
97.10172	2.3
99.08093	1.7
105.04514	1.3
105.07020	17.6
107.08588	30.2
109.06520	3.5
109.10151	11.1
111.08091	3.6
117.07007	11.2
117.44476	1.0
119.08576	12.1
121.06564	1.3
121.10139	24.1
121.11019	1.3
123.08091	1.5
123.11692	3.4
129.07005	2.9
131.08556	15.9
133.10114	12.9
135.11674	15.5
139.11206	1.6
143.08545	3.8
145.10118	10.0
147.11700	4.9
149.13249	25.0
155.08601	1.4
157.10150	4.0
159.11684	15.4
161.13232	2.7
163.14726	1.1
167.08583	1.5
167.14330	1.0
169.10133	1.7
171.11719	3.0
173.13266	6.3
175.14819	2.8
177.12784	2.7
183.11644	2.1
185.13286	1.8
187.14812	3.1
195.12132	1.0
195.13754	5.9
197.13274	1.1
199.14862	1.5
213.14662	1.4
243.21254	1.1
261.22150	5.2
317.24643	1.2
345.23868	1.0
437.34103	4.5
455.35260	2.0
511.37555	2.4
529.38867	100.0
530.39185	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
53.75101	0.8
55.01862	1.9
55.05508	17.3
57.03418	4.0
57.07058	1.8
65.03925	2.5
67.05499	43.9
69.03425	1.4
69.06713	1.5
69.07060	17.5
70.73780	2.0
70.74146	1.9
71.05008	1.7
76.82106	1.0
79.05484	36.0
79.88356	1.0
81.03398	1.3
81.07052	53.1
83.04974	2.1
83.08601	8.5
85.06520	3.9
89.06078	1.1
91.04906	1.0
91.05474	29.3
93.07035	46.2
95.04964	6.0
95.08599	29.7
97.06528	5.1
97.10153	2.2
105.06374	1.8
105.07029	21.7
105.07757	1.2
107.08581	23.1
109.06483	2.0
109.10150	10.2
111.08064	2.6
113.09683	1.1
117.07014	13.9
119.08567	12.6
121.10141	18.0
123.08083	1.7
123.11703	2.9
125.09640	0.8
129.07007	5.6
131.08560	18.9
133.10132	14.1
134.56712	1.1
135.08049	1.4
135.11685	8.8
139.11223	1.4
141.06981	1.7
142.07816	1.7
143.08551	7.1
145.10109	16.0
147.11693	6.9
149.13255	14.2
155.08600	2.5
157.10110	7.1
159.11682	14.9
161.13251	4.0
167.08546	1.2
169.10117	3.3
171.11655	7.7
173.13232	7.8
175.14842	1.4
177.12787	3.0
179.14365	1.0
181.10115	1.8
183.11682	2.8
185.13258	5.5
187.14819	3.6
195.11990	1.4
195.13858	4.9
197.13257	1.9
199.14819	3.3
201.16457	1.4
209.13260	1.3
211.14743	2.1
215.18069	1.0
223.14719	1.5
234.15440	0.8
261.22070	2.3
285.22308	1.1
297.21988	1.1
325.25372	1.1
419.33060	3.2
437.34149	11.3
455.35007	4.7
473.36200	1.5
493.37091	1.4
511.37802	5.5
529.38831	100.0
530.39392	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	2.4
52.55129	1.4
53.03939	8.8
55.01873	3.3
55.05511	26.9
57.03415	3.7
57.07063	4.2
58.94262	1.3
65.03912	4.7
67.05504	77.4
67.39422	1.6
69.03413	1.7
69.07074	18.2
70.06593	1.8
71.04977	3.2
73.06547	1.5
79.05491	84.1
81.03407	13.1
81.07056	69.2
83.04558	1.7
83.04984	22.6
83.08617	11.1
85.06519	3.9
87.08136	1.7
88.07603	3.4
91.05480	88.1
93.07039	77.2
95.04972	20.4
95.08607	45.1
97.02878	2.8
97.06505	6.6
97.10117	4.2
99.08070	3.1
105.04509	3.1
105.07027	49.5
107.04952	12.3
107.08591	26.6
109.06488	4.6
109.10150	12.7
111.08083	3.0
115.05450	3.3
117.06988	11.4
119.07793	2.1
119.08578	31.9
119.11864	1.7
121.10133	24.2
123.08068	3.4
123.11705	2.5
127.07494	2.1
128.06207	2.1
129.06993	15.2
131.08560	26.6
133.06419	2.0
133.10129	38.8
135.11710	12.4
137.09528	1.5
138.11317	1.4
141.06944	2.4
142.07753	4.8
143.08572	8.0
145.10121	14.7
147.08005	4.6
147.10861	1.4
147.11673	16.7
149.09543	4.7
149.13216	5.7
155.08496	6.5
157.10126	19.0
159.11638	8.7
161.13197	4.6
163.11073	3.2
165.12727	1.8
169.08569	6.0
169.10074	5.3
171.11664	4.1
171.63647	1.6
173.13223	4.3
175.11171	10.3
181.10068	2.2
183.11649	3.7
185.13274	4.1
187.14859	2.5
191.08780	1.7
193.12216	20.1
195.11684	3.9
197.13231	3.8
199.14832	3.0
207.11482	1.6
211.13254	4.8
213.16379	2.0
237.16283	2.2
256.26285	8.1
257.26575	7.7
261.22046	6.8
317.24744	2.5
335.25769	3.0
371.44125	1.6
417.31464	2.1
435.32443	6.6
453.33493	3.4
491.34860	1.9
509.35983	2.7
527.36993	100.0
528.37415	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	527.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01180	3.6
53.03952	5.1
55.01852	3.6
55.05507	24.6
55.67435	3.1
55.78359	3.3
56.96548	4.0
57.03434	10.0
61.02915	15.4
63.93362	3.5
67.05499	33.3
69.03421	13.4
69.07060	13.8
70.08704	15.8
71.05003	4.9
73.02917	7.0
79.05492	32.1
81.07049	46.3
83.04982	7.6
83.08635	9.3
85.02916	19.1
85.06522	6.1
85.38134	3.4
86.09710	4.4
87.04441	3.9
91.03947	9.3
91.05478	46.9
93.07028	39.2
95.04932	5.6
95.08585	25.8
97.02885	11.9
97.06512	12.3
97.10152	5.1
103.05470	5.4
105.07024	35.2
107.04935	6.6
107.08576	19.8
109.06519	12.6
109.10141	6.5
111.08077	4.8
117.07017	23.5
119.08576	29.5
120.62179	3.7
121.06518	7.2
123.08039	8.2
127.03906	8.1
128.06219	13.3
129.07014	19.2
130.07756	9.2
131.08562	43.7
133.06474	9.9
133.10143	15.3
135.08098	6.7
135.11687	5.5
137.05942	8.1
139.11220	5.2
141.07013	5.8
142.07831	3.8
143.08540	55.7
144.03716	3.6
145.04985	3.6
145.10114	47.7
147.08051	11.0
147.11647	6.2
149.05905	3.8
155.08572	8.6
157.10165	18.0
159.11691	13.0
161.09642	10.2
161.13379	5.0
163.03883	4.0
167.07028	12.3
167.08467	4.2
169.10162	8.5
171.11649	10.3
173.09628	5.5
173.13132	7.1
175.11168	6.3
177.00594	3.9
177.05424	7.3
177.12743	4.9
181.10143	5.9
183.11687	6.4
185.13245	4.6
187.11172	6.0
195.11697	11.3
209.08116	5.1
227.17889	5.4
237.16365	15.9
255.17438	18.5
271.11966	4.4
273.18472	49.5
301.07111	9.6
347.22134	100.0
483.25476	10.7
527.24744	37.9
527.31500	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	527.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37631	1.3
53.03938	3.7
55.01857	3.6
55.05511	20.7
57.03425	3.8
57.07073	1.8
57.48823	1.3
67.05508	45.2
69.03410	2.2
69.07076	8.9
69.47634	6.0
69.48055	4.9
71.04977	1.5
77.03915	1.4
79.05492	34.0
81.03417	26.4
81.06580	1.8
81.07059	32.5
83.04977	3.6
83.08616	12.1
85.06551	2.1
91.05479	26.4
93.07041	27.3
95.04966	12.2
95.08614	19.7
97.02901	1.4
97.06543	1.9
97.10173	10.3
98.21530	2.9
103.87796	1.2
105.04565	1.3
105.07025	20.1
107.04958	2.8
107.08605	16.3
109.06536	2.5
109.10152	11.9
111.08093	3.8
115.05474	1.4
117.03392	5.5
117.07035	9.6
119.08572	18.0
121.06538	1.6
121.10146	14.4
123.08125	1.7
123.11729	2.2
125.09612	7.5
128.06247	2.1
129.06970	8.3
131.08566	15.8
133.10153	10.0
135.04449	1.7
135.08038	3.7
135.11693	6.4
141.07008	2.2
143.08595	6.2
145.02829	16.4
145.10114	11.2
147.07986	1.8
147.11658	9.2
149.05945	2.6
149.09613	1.5
149.13242	3.8
155.08559	3.9
157.10149	9.3
159.11713	7.2
161.13252	3.9
163.14845	2.0
169.10117	5.3
171.10274	1.6
171.11676	6.4
173.11775	2.1
173.13307	4.1
175.11160	3.6
175.14821	2.0
177.05475	39.4
181.10031	1.4
183.11661	4.1
185.13277	3.4
187.14854	2.1
189.11237	4.5
190.96284	1.4
193.12254	13.7
195.11749	1.9
197.13309	4.3
198.97426	8.5
199.14763	2.5
221.13269	1.4
257.19110	1.9
259.20734	1.3
261.22128	5.1
279.95697	1.4
289.91824	1.4
299.23718	1.8
301.25287	3.2
309.22144	1.4
323.23947	2.1
327.23376	1.5
342.43350	1.2
379.25891	1.6
417.31448	3.4
435.32431	9.3
453.33743	9.7
471.34680	7.4
509.36472	2.9
527.23767	4.2
527.37354	100.0
528.37769	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	527.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11347	0.5
51.50026	0.4
53.03942	0.5
53.82720	0.4
55.05510	0.9
59.62939	0.4
61.14302	0.4
62.32274	0.4
67.05504	1.6
68.67789	0.4
69.03426	2.0
69.07071	1.2
70.06602	1.3
70.80388	1.0
71.04968	0.5
71.58668	0.4
73.02908	0.6
79.01580	0.5
79.05496	1.2
81.03410	1.7
81.07058	3.7
85.02898	2.8
86.09708	0.7
87.00850	0.5
87.33221	0.5
91.05452	1.1
93.07043	2.3
94.06548	0.9
95.08617	2.8
97.02924	0.8
97.06532	0.5
99.04468	1.0
105.07030	1.3
105.81955	0.5
107.08585	2.5
109.02882	0.9
109.10175	1.2
119.01936	0.4
119.08560	0.7
121.10143	1.1
122.06112	0.5
123.06818	1.7
123.11728	0.7
125.09621	0.6
127.03938	1.7
131.61269	0.4
133.10118	0.6
135.11722	1.1
143.08537	0.6
145.05043	0.4
145.10126	0.4
149.13266	2.3
159.68382	0.4
161.22977	0.4
167.07106	0.7
180.29253	0.6
185.04274	0.8
187.06004	1.0
192.31129	0.5
203.05289	1.3
227.05305	0.9
244.51700	0.5
245.06354	5.1
261.18372	2.3
271.04330	0.5
279.19342	4.5
289.05280	6.5
293.31198	0.5
305.24829	0.5
321.19199	2.2
357.37567	0.5
423.23691	1.9
441.24646	7.1
465.24603	5.5
483.25632	22.6
509.23569	21.3
510.24341	0.6
527.24646	100.0
527.84229	0.6
528.24939	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	527.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11347	0.5
51.50026	0.4
53.03942	0.5
53.82720	0.4
55.05510	0.9
59.62939	0.4
61.14302	0.4
62.32274	0.4
67.05504	1.6
68.67789	0.4
69.03426	2.0
69.07071	1.2
70.06602	1.3
70.80388	1.0
71.04968	0.5
71.58668	0.4
73.02908	0.6
79.01580	0.5
79.05496	1.2
81.03410	1.7
81.07058	3.7
85.02898	2.8
86.09708	0.7
87.00850	0.5
87.33221	0.5
91.05452	1.1
93.07043	2.3
94.06548	0.9
95.08617	2.8
97.02924	0.8
97.06532	0.5
99.04468	1.0
105.07030	1.3
105.81955	0.5
107.08585	2.5
109.02882	0.9
109.10175	1.2
119.01936	0.4
119.08560	0.7
121.10143	1.1
122.06112	0.5
123.06818	1.7
123.11728	0.7
125.09621	0.6
127.03938	1.7
131.61269	0.4
133.10118	0.6
135.11722	1.1
143.08537	0.6
145.05043	0.4
145.10126	0.4
149.13266	2.3
159.68382	0.4
161.22977	0.4
167.07106	0.7
180.29253	0.6
185.04274	0.8
187.06004	1.0
192.31129	0.5
203.05289	1.3
227.05305	0.9
244.51700	0.5
245.06354	5.1
261.18372	2.3
271.04330	0.5
279.19342	4.5
289.05280	6.5
293.31198	0.5
305.24829	0.5
321.19199	2.2
357.37567	0.5
423.23691	1.9
441.24646	7.1
465.24603	5.5
483.25632	22.6
509.23569	21.3
510.24341	0.6
527.24646	100.0
527.84229	0.6
528.24939	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	527.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	1.3
55.05514	1.8
57.03423	0.8
67.05493	3.9
69.03437	3.9
69.07048	2.8
70.06584	2.4
71.37350	2.1
73.02917	1.0
75.00810	0.8
79.05489	1.7
81.03406	3.7
81.07056	6.4
83.04978	1.0
84.08134	1.2
85.02896	3.6
85.06540	1.6
86.09711	1.3
87.00821	0.9
91.05464	2.6
93.07033	3.4
95.04967	1.4
95.08594	3.8
97.02887	2.2
97.06535	1.2
98.97568	1.0
99.04441	1.5
105.07040	4.1
107.04906	0.9
107.08583	2.6
109.02890	1.4
109.06509	1.0
109.10144	3.0
119.08592	3.0
120.08020	0.9
121.10132	2.6
125.09592	1.6
127.03915	2.2
131.08548	1.2
133.10138	1.7
135.11702	1.2
137.09590	1.2
139.11159	0.8
145.02861	1.3
145.04907	1.2
145.10063	1.3
147.11678	1.9
148.95758	0.9
159.11600	0.9
161.02814	0.8
163.04005	1.5
163.11238	1.0
177.00633	0.8
179.24692	0.7
190.10826	0.8
191.64586	0.7
203.05331	1.7
204.51965	0.8
207.06505	1.1
213.03986	2.0
243.04660	1.5
245.06302	5.0
261.18500	2.0
261.21362	1.1
263.19806	1.9
272.20108	2.4
273.20514	2.9
279.19263	5.9
284.84555	0.9
287.03745	9.4
289.05304	27.0
321.19128	3.5
364.24643	1.1
365.25348	3.9
441.24567	2.0
483.25717	15.1
488.71057	0.9
527.24579	100.0
527.30615	5.1
528.24597	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18831	0.5
55.05486	0.8
65.96015	0.5
70.06598	1.3
79.60325	0.5
81.03419	0.7
81.07048	1.9
85.02935	0.7
91.05463	0.7
93.07017	1.3
95.08587	0.8
98.21494	1.6
105.07019	1.0
107.08575	1.5
108.37521	0.5
117.71786	0.5
119.01896	0.7
125.66613	0.5
135.11662	0.6
137.25854	0.5
141.47955	0.5
185.04236	0.7
193.05003	0.6
201.03693	0.9
203.05315	1.2
229.03267	0.7
229.75513	0.6
232.33388	0.5
243.04750	4.6
245.06282	5.6
261.18127	2.4
263.19937	3.2
271.04227	1.3
279.19376	12.1
287.03726	33.1
289.05286	50.0
321.19122	3.3
334.29187	0.7
339.20267	1.1
350.79135	0.6
441.24622	2.6
459.48010	0.6
483.25656	16.4
509.23596	1.1
527.24634	100.0
528.25061	3.8
528.35010	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16473	0.9
58.46611	0.9
70.06380	4.8
74.69925	1.0
80.05108	1.1
80.08206	1.2
82.06586	3.5
83.04987	1.5
107.95709	1.0
112.02486	4.4
116.49586	1.0
118.03520	1.9
126.09580	1.1
128.00237	1.8
130.03502	12.8
131.01898	1.5
136.07632	1.2
139.03500	1.9
141.05055	3.0
142.01717	1.0
148.04613	3.4
156.05070	1.2
157.04565	24.7
159.06184	3.7
160.04633	2.3
161.03030	1.4
161.07706	2.1
166.04666	1.3
167.03049	3.7
173.02846	1.4
174.02484	2.9
175.05664	10.2
175.07025	1.6
181.04605	1.6
184.05765	1.1
185.02809	1.9
185.04240	16.5
186.02510	1.5
187.02019	6.2
187.05655	6.8
194.06613	1.6
199.05721	1.8
203.05228	19.7
205.03070	6.2
205.06697	7.1
208.71631	1.1
209.07800	1.9
210.06082	2.4
212.05278	10.4
213.03679	1.2
219.06236	1.5
221.07799	2.4
227.05124	2.0
228.08284	1.9
230.06253	12.9
237.07106	5.3
239.06847	2.7
239.08907	3.9
240.04599	1.8
242.06242	4.3
245.04832	9.1
247.05876	1.5
249.07343	2.3
251.05141	2.1
255.08249	1.9
256.07608	1.2
258.05728	12.1
260.07166	1.4
265.06720	9.9
266.06512	2.4
267.08484	3.3
276.06580	6.8
283.08871	25.5
285.09329	5.9
287.07449	1.5
294.09195	2.0
301.06879	2.4
305.07190	1.3
311.08347	12.7
313.10077	5.4
319.08139	1.3
322.08954	4.2
329.09396	17.0
330.07950	1.5
340.10052	1.8
347.09271	6.4
347.12204	9.8
365.10464	48.4
366.11060	1.2
375.11484	7.4
391.11035	6.4
393.12527	27.3
409.11993	6.6
411.13556	13.5
427.12155	2.2
473.15323	2.1
491.16055	3.7
509.17032	4.1
527.15887	100.0
528.16351	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	527.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53120	2.7
56.96557	34.7
67.04225	2.6
69.03459	3.2
70.80312	5.6
70.80684	5.8
73.54906	2.6
81.03391	7.8
82.06584	19.9
94.01456	2.8
97.99166	5.7
99.05492	2.7
100.02457	3.0
102.04044	3.6
104.01999	3.4
106.06480	3.0
109.99149	29.2
110.97594	2.5
112.02454	18.7
116.00202	4.1
118.03513	4.4
124.00774	2.7
128.00197	40.0
128.98602	2.7
130.03494	55.2
131.01860	2.8
132.03236	3.7
136.04559	8.5
139.03531	5.0
140.00179	8.6
141.05069	10.1
142.01770	16.3
142.03456	3.1
143.06641	3.2
146.01234	25.0
147.09183	3.8
148.04536	16.0
150.02438	3.1
154.01755	3.2
154.03545	2.8
155.01266	3.2
155.99631	5.5
156.03223	3.6
156.05025	5.0
156.98061	5.3
157.01645	2.7
157.03371	7.0
157.04581	74.5
158.01202	20.9
158.03001	3.2
158.04794	4.2
159.04308	6.7
159.06114	17.3
160.02808	12.9
160.04660	3.1
161.07710	12.2
166.01640	4.1
167.03001	11.9
167.06757	3.1
168.03403	3.5
168.05054	9.9
170.02937	4.2
173.02376	6.6
174.00790	8.8
174.06310	3.4
174.99135	5.3
175.05692	35.6
175.07080	5.8
176.04027	3.1
177.05499	4.3
180.05066	8.1
182.06674	7.5
183.06244	3.2
184.02788	11.3
184.04398	5.0
185.02696	3.2
185.04166	14.6
186.00813	3.1
186.02539	4.4
186.06099	10.6
187.02017	9.3
187.05650	21.2
191.06535	6.0
192.01723	5.3
193.08124	6.3
194.02954	4.4
194.04895	3.6
194.06602	4.7
195.02608	3.7
195.06139	6.5
196.02901	2.8
196.04526	3.9
198.06059	4.0
202.03833	9.7
203.03362	13.9
203.05168	11.6
205.01346	3.8
205.03079	9.9
205.06638	25.8
205.08270	4.3
207.06096	7.3
209.07658	5.5
210.04346	4.4
210.06036	6.6
211.03864	6.3
212.03789	5.8
212.05305	11.4
213.05487	3.9
213.07265	4.1
214.01913	5.7
215.05045	4.4
219.02695	4.2
219.04417	4.3
219.06165	7.3
221.04312	10.9
221.06026	7.1
221.07784	18.4
223.05640	6.0
223.09300	18.3
225.07225	6.0
228.08455	6.4
230.06259	18.0
231.06311	3.8
232.44522	3.0
233.07716	3.1
237.05273	32.0
237.07565	16.1
238.03697	4.6
239.06573	13.4
239.09097	18.7
241.06575	9.2
241.10295	6.2
242.06224	13.7
245.05025	4.7
247.05794	3.4
249.07240	9.3
251.05045	18.9
253.06610	6.9
255.06381	15.8
257.08377	3.6
258.05679	14.3
265.04507	5.7
265.07129	16.7
266.06204	6.5
267.04663	3.3
267.08270	18.6
269.06155	10.1
274.10385	6.9
276.08606	18.6
278.09781	3.6
283.06009	33.9
283.09009	27.7
283.74670	3.4
284.07230	9.6
285.05588	10.3
285.09100	17.4
292.11322	4.6
294.09308	8.9
297.06989	3.6
301.06949	82.8
301.10126	5.4
302.10013	3.4
304.07706	10.2
311.08243	13.4
312.06778	8.2
313.10150	13.1
319.08047	3.0
319.12195	4.0
320.10861	21.5
321.09229	3.6
322.08835	51.8
329.09497	12.9
330.07693	14.8
340.09827	12.7
346.12695	4.5
347.05338	6.5
347.12106	54.5
365.10159	22.1
375.11490	62.1
382.10999	3.0
391.09821	4.4
392.08527	3.6
393.12540	100.0
409.11627	4.4
410.09918	8.6
411.13635	24.5
455.13495	10.4
473.13913	43.3
491.14948	15.7
509.16217	8.1
513.79486	3.5
527.15802	27.4
528.28625	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	527.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96284	1.4
56.96560	20.2
58.77909	0.8
64.04668	0.6
70.98217	0.6
71.58968	0.9
74.97622	0.9
78.28278	0.6
82.06571	4.7
83.04985	4.6
83.97643	1.3
84.96011	1.2
97.99187	6.4
107.78356	0.6
108.08131	0.6
109.99164	14.9
109.99873	1.1
110.97577	2.4
116.00204	3.8
121.99152	1.2
128.00201	32.9
128.98616	4.1
128.99492	0.6
129.98138	2.5
130.01785	0.8
134.01245	1.3
136.00706	1.1
138.02280	4.8
140.00194	13.5
142.01755	2.3
143.01324	0.8
146.01245	28.2
146.99632	3.0
147.99197	1.6
154.01759	10.5
155.01256	10.4
155.99663	1.7
156.03304	4.7
156.98103	2.6
157.02867	0.9
158.01256	25.1
160.02832	2.6
164.02310	5.5
166.00238	0.9
168.03357	7.3
172.02812	31.5
173.02347	22.2
174.00737	2.6
174.04373	1.0
174.99112	4.3
176.02316	6.4
183.00764	3.5
183.99158	1.0
184.02832	2.9
186.00739	2.4
186.04372	13.9
190.03860	11.8
191.03423	4.0
191.04881	0.8
192.01768	1.7
192.03294	1.5
194.04916	1.6
198.04401	0.8
201.01833	15.9
202.00299	0.8
204.01788	6.6
204.03371	0.9
204.05502	1.9
209.06049	0.7
210.04366	14.8
212.03590	1.4
212.05919	1.5
219.02831	17.0
221.06017	8.6
222.02576	1.2
222.04578	5.0
226.03906	0.9
228.05414	15.0
229.01263	0.8
229.04825	0.8
230.04587	1.1
237.03777	3.6
237.05490	5.9
238.03896	2.2
239.07022	20.1
240.05495	7.4
255.02913	2.9
255.06418	3.9
256.02341	1.8
256.04944	2.0
257.08099	2.8
265.04941	9.6
273.03995	1.5
274.03522	5.1
283.02448	6.2
283.06015	31.8
292.04440	1.2
299.06683	4.7
300.04977	1.5
301.07059	100.0
309.04959	0.9
319.08115	23.5
324.08676	2.7
327.06082	16.3
328.04556	5.6
330.06131	2.1
336.08566	1.1
338.06873	0.8
345.07211	18.1
346.05383	3.2
363.09006	2.4
364.08035	1.6
365.10391	1.5
381.10727	1.9
391.09100	4.0
409.10327	24.7
410.08945	1.1
427.11368	77.4
428.09689	6.1
445.12567	1.7
491.14597	10.0
509.15616	20.5
527.16730	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	527.158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30830	1.0
58.53853	1.0
68.01305	1.1
77.34629	1.0
80.05001	1.1
81.03424	2.4
83.21223	1.0
85.57981	1.0
96.92722	1.2
98.21513	2.0
98.68483	1.0
99.04488	1.2
102.04053	3.6
112.02486	2.9
114.02222	1.6
118.03563	3.0
119.01911	3.3
120.05122	1.9
130.03520	6.6
131.01904	2.5
132.03278	2.5
136.04593	3.4
141.05113	3.6
142.01799	2.5
143.01920	3.0
143.06654	2.3
145.03477	1.8
148.04549	1.4
155.01872	1.7
156.01431	2.1
157.04570	13.9
159.04282	5.5
159.06189	8.4
160.02803	1.7
160.04655	1.2
161.02995	4.5
161.07687	5.5
163.03941	2.4
167.03081	1.2
168.05045	1.4
173.02992	4.4
174.02483	9.7
175.05676	5.7
176.05801	1.8
177.05402	2.3
181.04567	1.8
185.02896	5.4
185.04266	17.9
186.02548	3.3
187.02142	1.0
187.05693	11.4
192.03560	2.3
194.06604	1.1
197.02943	2.9
198.06010	1.3
199.05730	4.5
203.03708	1.6
203.05281	28.6
203.85271	1.2
204.03642	1.3
205.03185	1.3
205.06703	12.9
205.08430	1.8
210.06009	1.3
212.05338	2.6
214.03706	1.3
215.03943	1.3
221.07825	2.3
227.05356	6.9
230.06163	5.4
237.07254	2.1
239.06871	2.7
239.08925	2.3
242.06349	5.6
245.05316	20.7
249.07201	1.4
257.05966	1.4
258.05777	3.6
259.06320	1.2
260.07410	2.1
263.06168	2.8
265.06833	3.1
267.06177	1.7
267.08612	2.1
275.06708	3.3
276.06876	1.6
279.03964	1.3
283.08981	8.6
284.07614	1.2
285.09430	9.4
287.07318	8.0
301.07016	1.4
305.07465	4.6
311.08151	3.2
313.10138	8.1
317.08621	1.4
329.09375	5.6
331.09549	2.2
347.09186	16.9
365.10507	69.0
375.11343	2.4
391.11041	1.8
393.12524	8.8
409.12173	2.1
411.13651	14.8
473.15228	1.3
491.16650	1.2
509.16974	3.6
527.15857	100.0
528.16101	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	527.1579
Annotation	(-)-Indocarbazostatin B
Peak:m/z	Relative Intensity
57.03368	0.5
69.60989	3.4
85.02842	1.7
94.92978	1.0
96.92759	1.5
98.20801	0.5
118.03492	0.5
119.01865	2.0
127.03862	0.7
131.01817	0.6
136.04501	0.9
137.02873	0.4
141.04982	0.5
143.01897	0.9
145.03433	0.9
145.04878	1.2
155.01895	0.8
156.01390	0.9
157.04587	1.0
159.06120	0.9
159.07344	0.4
161.02864	1.4
161.07703	0.6
163.03253	0.5
173.02924	1.7
174.02451	1.5
175.02579	0.4
185.02884	2.0
185.04256	13.5
186.02429	0.7
187.05621	1.7
193.90280	0.4
197.02901	0.8
199.05667	0.6
203.05286	18.9
205.06696	1.5
227.05148	0.9
242.06233	0.9
245.04901	8.7
246.04800	0.6
263.06079	1.2
264.69769	0.4
274.08240	0.8
274.58362	0.6
275.06174	1.3
278.96423	0.4
285.08823	0.9
287.07224	1.6
305.07153	2.3
313.09860	0.6
319.00964	0.5
321.00848	0.7
331.09076	0.5
335.07773	0.5
337.01962	1.6
339.01743	1.7
347.09482	12.5
365.10519	60.1
411.13788	1.6
527.15790	100.0
528.16138	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33514	1.0
55.05508	2.3
57.07072	62.6
58.40035	1.0
69.07068	9.2
69.32584	11.5
71.08627	57.7
73.06557	4.0
81.07050	1.0
82.17460	1.0
83.08610	3.4
85.10177	36.0
87.04465	4.3
89.06024	100.0
95.08588	1.3
97.10163	3.9
99.11749	7.6
107.07068	3.1
111.11710	4.1
113.13271	6.9
117.09129	4.0
125.13211	1.7
127.14831	3.7
130.08699	2.2
131.07082	1.6
133.08594	70.1
169.26688	1.1
177.11211	28.4
183.20992	1.7
193.74933	1.1
221.13878	3.4
223.10152	1.2
239.14897	3.1
271.26279	3.7
283.17520	4.1
315.28964	4.9
327.20102	20.4
339.75674	1.2
465.37735	2.0
509.40442	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	527.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21546	0.8
59.98555	0.8
69.03422	1.6
70.06583	1.6
70.99069	2.5
74.80730	0.8
81.03426	0.9
84.08150	1.2
85.02916	1.8
104.93507	0.9
107.05034	0.8
108.08703	0.8
120.08056	0.8
163.03893	2.2
187.04570	0.8
203.05312	2.5
229.05609	1.2
259.07962	1.0
332.65445	0.9
347.09485	48.2
365.06143	3.2
527.13708	100.0
528.14044	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78696	0.6
55.05504	2.6
57.07072	37.4
58.53910	0.6
59.04995	0.7
61.86251	0.5
67.05486	0.7
69.07082	1.4
69.43575	0.6
69.59734	3.3
69.60167	2.0
71.08625	27.2
73.06551	7.2
76.55576	0.5
83.08622	2.2
85.10179	24.0
87.04471	5.5
89.06026	100.0
90.23869	0.7
91.07587	1.3
97.10161	3.2
99.11711	3.8
107.07050	4.4
107.08601	0.8
111.11749	0.9
113.13291	1.3
117.09136	4.5
130.08626	3.3
131.07053	1.2
133.08595	44.3
155.17932	4.0
177.11212	10.0
199.20607	1.2
221.13774	1.0
243.23175	2.9
285.99570	0.6
300.70618	0.6
310.58292	0.7
327.20047	1.0
371.22696	1.0
445.05298	0.6
445.12766	0.6
525.35754	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.01865	6.0
55.05501	14.4
56.96556	9.0
57.03440	6.7
57.07057	5.4
58.89826	2.5
60.03276	2.3
65.03917	3.3
67.05500	23.4
69.03423	37.3
69.07050	10.0
69.98222	12.9
70.06577	6.2
70.80275	2.7
71.04974	6.8
71.08606	2.4
73.02905	4.4
79.05497	11.1
81.03423	22.3
81.07048	27.5
83.04969	8.0
83.08624	4.0
85.02902	37.1
85.06540	62.7
86.09685	3.3
87.00826	11.3
91.03985	3.2
91.05470	15.2
93.07027	14.9
95.04935	7.2
95.08607	26.6
97.02876	15.4
97.10148	4.8
98.97576	7.7
99.04447	8.4
99.08086	72.7
105.01855	9.2
105.07030	29.3
107.04978	3.8
107.08584	20.6
109.02897	24.0
109.06519	13.2
109.10181	16.1
111.08073	3.9
114.26073	3.1
116.98629	8.8
117.07032	3.7
119.08559	25.3
119.37522	2.6
121.06477	3.0
121.10124	34.0
123.08080	6.6
123.11724	13.1
125.09632	12.0
127.03909	29.3
131.08571	7.8
133.10143	16.8
134.99597	3.2
135.08090	3.2
135.11684	6.6
137.09616	6.5
137.13210	3.0
139.11195	5.8
142.07782	4.1
143.08568	7.8
145.04953	6.0
145.10112	10.8
147.10608	3.7
147.11693	32.4
149.09637	3.3
151.11110	6.4
151.86662	2.8
157.10144	8.7
159.02866	8.0
159.11720	8.7
161.09676	4.5
161.13232	8.3
163.11151	3.5
165.12743	16.0
167.07010	2.6
171.11662	9.8
173.13249	5.3
175.11177	3.8
175.14838	6.6
177.00882	4.3
179.14322	15.1
184.12439	3.9
185.13245	10.2
189.12711	5.3
193.04944	33.6
199.14845	11.0
201.16382	15.2
203.14313	6.1
217.15855	3.1
219.54778	2.6
236.11319	2.8
237.02759	3.3
241.19501	5.8
259.20569	100.0
277.21695	10.2
289.05350	3.8
411.19604	4.8
439.23172	5.2
448.14252	3.2
455.18692	7.2
457.19983	4.7
481.24283	28.8
507.21719	4.0
525.22430	83.8
525.29242	18.4
526.23450	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	525.2308
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
55.05500	0.5
60.67285	0.4
69.03436	0.5
69.43748	3.5
69.51787	0.3
70.06580	0.5
79.41996	0.4
81.07051	0.8
93.07021	0.6
98.20769	0.9
105.07031	0.9
107.08561	0.5
109.10170	0.4
112.04708	0.4
125.26534	0.4
138.00531	0.4
141.05154	0.4
165.91298	0.3
186.57605	0.4
193.05011	0.8
210.83386	0.4
227.05380	0.7
243.04816	0.9
245.06300	0.6
249.14496	0.4
259.16809	0.6
271.04324	0.5
276.66354	0.5
277.17789	4.8
287.03912	0.5
289.05438	1.6
319.18134	0.5
349.16660	0.5
367.17352	1.5
380.17328	0.5
385.83035	0.4
409.18164	2.2
421.21768	1.8
439.22998	7.9
463.22791	3.0
481.24097	44.1
482.24036	0.7
507.22076	3.6
525.23065	100.0
526.23407	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2308
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
52.35425	0.4
55.05490	0.5
56.96567	0.5
62.03373	0.5
67.05496	0.8
69.03425	0.7
69.07059	1.3
69.70616	1.0
69.71030	2.2
71.04990	1.1
78.54103	0.4
79.05501	1.4
81.07043	1.8
84.08093	0.5
85.02909	0.8
86.09650	0.4
91.05484	0.8
93.07032	2.1
95.04999	0.6
95.08598	1.2
97.02870	0.5
98.21389	0.8
98.97590	1.8
104.32738	0.6
105.07000	1.2
107.08587	1.6
109.10164	0.6
114.68683	0.5
116.98644	1.1
119.08562	1.1
121.10124	0.8
124.63750	0.6
127.00022	0.6
127.03928	0.7
131.08524	0.6
133.10161	0.8
134.99672	0.7
145.10132	1.4
153.01656	0.6
158.99690	0.7
159.11752	0.6
174.22380	0.4
177.00793	0.6
186.52342	0.5
227.05357	1.8
243.04793	1.7
245.06387	1.2
259.16714	1.7
271.04291	1.7
277.17728	3.7
287.03714	1.9
289.05261	3.6
337.17065	0.5
351.17175	0.5
353.15781	0.9
366.15106	0.5
393.18802	2.3
395.16891	2.2
403.20596	1.0
421.21878	2.8
437.17880	7.5
439.15775	2.0
439.22906	6.1
445.22070	3.8
463.23050	10.2
481.24103	41.7
489.20990	18.5
489.28189	0.8
507.22009	32.5
525.23071	100.0
525.29327	4.5
526.23352	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2304
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
56.05293	0.3
60.04546	0.3
63.70595	0.3
67.05506	0.5
70.06594	1.5
71.14603	0.6
71.14924	0.4
72.08159	0.3
76.17207	0.3
79.05475	0.3
81.03424	0.4
81.07040	0.7
84.08141	0.6
85.02877	0.3
85.06535	0.4
86.09740	0.5
93.07032	0.5
95.08593	0.4
105.07027	0.5
107.04942	0.4
107.08599	0.4
120.08073	0.6
127.03742	0.3
129.10286	0.3
156.05800	0.3
193.04935	1.5
207.06488	0.4
275.07428	0.6
333.07874	0.6
335.09470	2.2
393.18616	1.2
525.23059	100.0
526.23535	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2309
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
53.86991	0.4
55.05503	0.5
67.05496	1.4
67.65961	0.4
69.03425	1.1
69.07052	1.6
70.06571	0.5
71.04983	0.9
71.59193	0.5
71.59574	0.4
74.06021	0.4
79.05496	0.7
81.03400	1.0
81.07053	3.6
91.05466	1.0
93.03148	0.7
93.07034	1.1
95.04963	0.5
95.08598	1.9
98.97597	2.0
99.04456	0.5
99.32301	0.4
105.07005	1.4
107.08584	1.1
109.06506	0.7
109.10149	0.8
116.98632	1.4
119.01949	0.9
121.10131	1.0
123.11694	1.0
125.76934	0.4
131.00165	0.8
134.99669	0.9
135.11696	0.5
145.10133	0.9
147.11667	0.5
149.01233	0.9
158.99675	0.9
159.11697	0.5
167.06842	0.4
167.78455	0.4
171.05095	0.7
173.01244	0.6
177.00682	1.1
185.04219	0.9
191.90430	0.4
195.01866	0.4
201.16470	0.4
203.03642	0.5
203.05338	1.7
227.05293	1.6
243.04819	1.0
244.99619	0.4
245.06349	4.9
245.08640	0.6
255.11795	0.5
259.16672	2.7
261.18188	2.5
271.04257	1.4
277.17728	2.9
287.03729	11.8
289.05295	40.6
319.17706	0.5
380.70404	0.5
437.17947	1.3
439.16068	0.5
439.23111	2.3
457.20813	1.2
463.23065	1.7
481.24118	20.1
489.20700	1.9
499.22189	1.0
507.21951	6.3
525.23077	100.0
526.23181	1.3
543.45758	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.6
56.96291	2.4
56.96564	40.7
57.42706	0.9
66.39272	1.0
67.05480	3.0
69.03416	2.3
69.07063	2.9
71.59229	2.2
71.95244	1.2
72.96028	1.1
75.15061	1.0
79.05476	2.1
81.03355	1.2
81.07056	4.5
81.66481	1.0
83.08616	1.2
84.96034	9.7
85.02876	1.9
91.05489	2.1
93.07047	2.8
95.04986	1.4
95.08584	3.1
97.02853	1.2
98.97583	38.8
102.97073	1.8
105.07025	4.2
107.04971	2.1
107.08596	2.9
109.10131	3.5
110.97586	4.1
112.99120	3.6
115.00715	1.3
116.98620	34.6
119.08572	2.5
123.11684	1.4
127.00654	1.7
128.98607	10.1
131.00177	9.1
133.01720	1.9
133.10121	1.3
134.99658	24.9
135.11725	1.7
137.02731	1.2
137.05963	1.3
140.00154	2.2
140.98518	1.4
141.02182	1.5
143.00140	2.8
144.98076	1.0
145.01675	1.4
146.99654	11.6
147.03262	2.9
147.11696	1.5
149.01251	9.2
153.00716	3.6
155.03763	1.8
158.01311	1.5
158.99644	7.4
159.03290	3.3
161.01205	3.4
162.99179	2.0
163.02786	1.6
165.00664	2.2
167.02316	1.5
170.99629	3.8
171.03328	1.6
173.01236	3.8
173.04810	2.6
177.00710	16.8
189.00705	5.2
191.02258	3.6
195.01775	2.1
201.00784	3.5
201.04207	1.3
209.08426	2.4
214.03871	1.1
219.01773	13.8
225.07907	3.3
225.11597	3.5
227.09512	3.1
237.02808	28.6
242.03413	1.4
243.08923	1.3
243.12686	1.7
244.99777	1.4
249.11665	4.5
255.03795	2.3
260.04370	1.8
267.09070	1.6
267.12653	5.6
277.14743	13.0
295.15799	7.8
300.03632	1.2
303.00806	1.2
305.02527	1.5
305.14154	1.7
313.16769	1.7
318.17645	1.2
319.15851	9.8
321.17297	6.6
333.17444	1.3
337.16913	6.4
345.37256	1.3
349.16730	1.8
361.16956	3.1
371.32434	1.4
400.89722	1.1
421.18964	14.9
439.20038	100.0
440.20105	2.0
457.20825	5.5
481.21106	32.3
507.20102	3.5
525.21124	22.2
525.30200	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	525.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05542	0.8
56.96289	1.8
56.96566	29.9
67.05509	0.9
69.07068	1.3
71.60123	1.0
74.97600	1.0
76.39793	0.7
79.05484	1.1
81.07038	0.9
84.96024	2.3
91.05501	1.6
93.07026	0.8
93.27094	0.8
95.08608	0.9
98.97578	11.4
105.07036	1.4
110.97554	2.0
111.08118	0.7
112.99128	0.8
115.00700	8.0
116.98609	10.2
117.07040	0.8
119.08635	0.7
123.73125	0.9
128.98595	6.2
130.43315	0.8
131.00200	1.7
133.01736	12.0
134.99640	6.9
137.05946	1.0
141.84741	0.7
143.00137	1.2
145.67897	0.8
146.99658	5.3
149.01215	3.1
151.02809	3.5
155.03780	1.3
156.03323	0.8
158.99693	2.2
161.01263	1.4
162.99101	1.2
165.00743	0.8
170.99672	1.8
173.01251	1.1
177.00761	2.9
183.06960	2.5
187.06537	0.9
189.00661	1.8
191.02289	0.9
199.06499	0.7
201.07951	4.9
217.74791	0.8
219.01804	6.0
225.11685	3.3
237.02826	13.6
241.11147	1.1
243.12679	4.6
255.03708	1.4
265.14682	7.9
269.14230	1.0
275.13519	1.1
277.14822	5.6
283.15604	1.2
293.14233	6.0
295.15802	52.8
296.16177	1.6
311.15451	1.2
313.16815	11.3
318.17404	3.7
319.15833	10.4
323.15158	1.1
337.16867	5.9
349.16922	1.1
361.16916	0.9
379.17773	1.9
439.20044	100.0
440.20789	1.7
457.21710	1.0
465.23361	1.2
481.21140	40.0
525.21014	30.6
525.29108	1.5
531.44647	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3709
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
50.14643	0.3
55.05509	0.3
55.12372	0.3
56.05021	1.4
57.03425	0.7
57.07077	2.9
58.06611	1.3
60.08161	16.2
63.48989	0.3
67.05501	0.8
69.07050	0.5
70.66962	0.4
70.67316	1.2
71.07368	6.2
71.08620	1.6
71.73512	0.4
81.07054	0.9
85.10178	0.9
86.09701	49.6
95.08589	0.6
96.02125	0.4
98.98457	4.5
100.96404	0.4
104.10737	100.0
110.67011	0.3
124.99998	27.9
143.01100	0.6
163.01559	0.8
184.07330	98.0
189.72365	0.4
240.51836	0.4
258.11108	1.4
341.30457	1.5
506.35986	8.8
524.37122	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	524.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	14.5
57.03420	12.4
57.07057	3.9
59.04984	4.7
67.05170	7.4
67.05503	100.0
68.99868	3.7
69.07057	7.7
70.69760	14.5
79.05486	17.4
81.07061	34.0
83.08605	9.5
85.04858	3.9
87.04443	4.4
91.05450	9.7
93.07060	23.5
95.08593	24.3
96.80891	4.2
105.06960	10.9
107.08580	10.3
109.10154	61.2
110.02621	4.2
113.05766	4.5
119.08597	9.1
121.10103	5.0
131.08572	5.7
135.11714	4.1
173.11728	17.7
183.52089	4.1
229.14359	52.0
261.22079	11.6
335.25757	52.7
477.05792	4.5
489.35785	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	524.178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
53.97263	1.1
55.01868	1.2
56.05021	1.4
60.04527	61.0
62.96295	1.0
64.75323	1.0
69.03427	3.5
69.03777	1.0
69.07074	1.5
69.62794	7.6
70.02943	4.3
70.06589	12.8
71.04984	1.4
71.06911	1.0
71.90581	0.9
72.08149	3.8
74.02451	1.6
74.06085	1.9
79.05490	2.1
81.03386	2.0
82.06590	1.3
84.04504	3.2
84.08144	5.9
85.02892	2.9
85.04042	3.2
85.84041	1.1
86.09693	7.6
87.05577	2.1
88.03989	1.6
89.03870	1.1
91.05475	2.7
93.07025	2.1
94.06566	1.9
96.08140	2.5
97.02891	2.7
97.06541	1.4
99.00796	2.2
99.04462	1.6
102.05557	1.2
105.06616	3.4
107.04993	1.2
108.08104	3.1
109.02890	1.7
110.07189	2.1
110.09696	5.2
111.04458	1.2
111.05552	3.1
115.05063	5.8
116.69716	1.1
119.04953	1.2
120.08151	5.5
127.03939	1.2
129.10229	2.9
132.04436	11.6
135.04366	1.5
136.07599	2.8
137.05917	1.2
138.09137	5.4
139.05000	1.4
143.04501	1.6
146.05980	2.4
147.04411	2.5
156.02844	0.9
157.06114	2.3
163.03925	10.2
164.04271	4.6
166.08653	10.8
185.05579	4.8
185.07048	1.1
196.07562	1.5
197.10744	1.1
203.06644	12.1
204.08069	2.7
207.06831	1.6
208.07449	1.0
221.10695	6.4
222.07930	1.3
223.06512	1.4
223.08704	9.0
224.09323	1.0
225.10303	3.7
231.09212	5.7
232.07611	2.9
233.08409	1.6
235.08655	1.3
237.10193	2.0
239.10564	1.5
247.08698	8.7
248.07292	1.4
248.09406	7.2
249.10249	100.0
250.07463	1.4
250.09961	4.2
251.08138	13.5
253.09763	3.1
259.08691	5.5
261.10294	1.3
263.08252	1.3
265.09763	5.3
267.11337	1.8
269.09061	1.6
273.10291	5.3
275.08145	17.9
275.10959	1.8
276.08893	2.8
276.11496	1.7
277.06357	1.9
277.09677	14.0
278.09576	1.2
279.07645	11.0
281.09274	2.4
283.08539	2.5
283.11200	1.7
285.10159	1.2
287.08160	1.4
291.11285	13.8
292.10776	2.8
293.09183	4.0
295.10773	2.5
301.09656	32.1
302.10410	1.9
303.07663	3.0
303.11041	1.7
305.09253	3.4
311.10260	1.4
318.12662	2.8
319.10959	2.1
320.10312	2.6
321.08868	2.4
323.10342	2.5
324.09619	1.2
327.09732	2.0
329.09140	10.3
331.07123	3.4
339.09827	4.6
341.11337	1.5
347.10291	18.5
349.08212	1.4
350.06522	1.9
357.08765	3.0
359.12466	4.1
364.12903	6.4
366.11191	1.2
371.12323	2.9
374.11411	2.0
375.09848	1.9
391.14313	2.2
392.12454	1.2
409.15338	2.5
415.14035	1.7
433.15085	3.8
446.16727	1.6
451.16177	21.9
461.14771	5.4
464.17996	3.7
468.18942	2.2
478.17099	5.7
479.15652	10.0
490.68564	1.1
492.17545	3.6
496.18295	63.4
506.16962	8.2
524.17798	85.0
525.16919	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	524.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	3.7
56.96554	2.8
60.04525	85.0
69.02517	1.8
69.03420	4.7
69.07053	2.6
70.02947	8.1
70.06589	27.2
71.04945	2.9
71.59971	2.8
72.08151	10.7
74.06073	3.0
84.04484	6.0
84.08141	10.1
85.02900	5.6
85.04029	3.8
86.06061	3.1
86.09708	16.5
87.05595	5.7
88.03963	3.5
91.05492	4.6
93.91155	1.9
95.08636	2.3
97.02920	2.8
98.97567	4.0
99.00767	2.2
105.06622	5.6
107.04976	2.7
109.02841	2.3
110.07146	4.9
110.09672	2.6
111.05601	3.2
113.63118	1.8
115.05051	6.1
116.07099	3.2
118.06506	1.8
119.08585	2.3
120.08100	13.5
127.03877	2.9
129.06767	1.8
129.10208	6.0
132.04457	22.7
136.07552	5.5
137.05968	3.5
138.09132	2.4
143.04440	2.1
146.05998	2.1
157.06068	2.7
163.03903	13.2
164.04201	4.4
166.08643	8.3
167.07005	2.3
175.05043	2.9
176.05452	2.5
177.05547	2.2
180.08049	3.0
185.05623	5.3
193.04939	2.6
195.09157	3.1
196.07484	3.3
197.10583	2.7
203.06619	17.5
204.08289	2.1
206.06018	3.3
208.07516	2.4
221.07344	2.3
221.10701	5.7
222.10245	2.6
223.08714	19.2
225.10194	6.5
231.09169	4.5
232.07581	4.5
247.08598	10.2
248.09523	6.4
249.10239	83.8
250.09837	6.9
251.08118	30.9
259.08572	6.4
261.10196	2.9
264.40509	1.8
265.09717	4.7
273.10138	9.0
275.08130	24.5
276.08713	4.1
276.11398	2.9
277.06448	4.2
277.09741	23.4
279.07629	25.7
283.08643	4.1
291.11246	12.9
292.10809	7.8
293.09241	4.1
295.10846	2.3
301.09726	38.3
303.07620	9.4
305.09048	4.3
313.09695	3.0
318.12320	2.7
319.10999	2.8
320.10260	6.0
321.08597	6.6
323.10513	2.8
324.09796	2.9
329.09283	16.6
331.07132	6.9
341.17078	2.1
347.10315	21.4
349.08304	2.8
357.08716	8.1
364.12903	4.7
374.11090	3.1
375.09808	4.9
392.12494	6.2
409.15018	7.4
433.15338	2.5
451.16211	21.4
453.14011	7.0
461.08490	2.2
461.14532	8.5
471.18863	2.0
478.17279	6.9
479.15628	41.3
492.17529	3.3
496.18256	100.0
506.16605	15.6
524.17719	95.3
524.25983	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36783	1.5
60.04520	92.5
63.50423	1.7
70.02946	6.5
70.06590	4.6
70.65229	4.6
74.39494	1.7
78.40477	1.7
84.04481	3.1
84.08095	1.8
85.02881	2.7
85.04018	5.3
86.09690	3.6
87.05587	1.7
98.21442	1.7
99.00834	4.3
105.06630	6.6
115.05021	8.8
116.07085	1.9
132.04445	24.0
136.07695	2.0
151.66499	1.8
157.06120	4.9
180.08029	2.4
185.05510	8.7
195.09155	3.8
196.07552	3.6
203.06607	18.6
204.08168	3.3
206.06068	3.6
221.10698	4.6
222.07881	2.0
222.10300	3.1
223.08607	22.1
225.10204	5.0
231.09207	4.5
232.07642	3.8
233.07173	1.7
233.08308	2.2
246.12654	1.7
247.08676	13.2
248.09424	6.1
248.11835	7.3
249.06514	3.9
249.10211	80.2
250.09694	10.7
251.08115	43.1
253.09747	4.1
255.09314	2.1
259.08664	7.7
265.09589	1.9
273.10199	8.8
275.08163	21.3
275.11258	2.3
276.08759	3.8
276.11334	5.8
277.06650	3.2
277.09662	22.5
278.09283	3.6
279.07629	34.8
283.08783	3.7
287.08179	2.6
290.12860	2.3
291.11191	15.5
292.07993	1.7
292.10873	7.8
293.09229	4.4
296.10284	2.8
300.11661	2.7
301.09702	36.2
302.09872	3.2
303.07626	10.0
303.10995	3.3
305.09283	6.5
311.08261	2.0
320.10352	3.8
321.08749	5.2
329.09152	21.1
331.06982	11.4
346.12091	2.0
347.10223	25.4
348.09689	2.0
357.08682	7.6
363.14282	2.2
364.13028	2.5
366.10699	3.1
374.11386	3.3
375.09918	6.6
392.12552	3.7
409.15079	6.4
433.15204	3.4
445.48862	1.7
451.16101	25.2
453.13940	10.7
461.14642	5.9
478.17010	11.3
479.15558	66.8
488.15442	2.5
496.18246	100.0
506.16656	37.7
524.17700	94.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	97.9
57.03431	11.9
57.07069	11.7
64.51963	6.3
65.03924	7.8
67.05169	8.0
67.05502	99.2
69.03407	6.3
69.07065	30.1
71.82102	7.3
79.05491	74.6
81.07054	100.0
83.04964	10.4
83.08614	48.4
91.05474	25.6
91.23450	5.9
93.07045	73.5
94.36356	5.8
95.05023	6.8
95.08600	70.0
97.10164	88.2
98.20701	14.0
98.52403	6.9
103.88485	6.2
105.07052	32.9
107.08585	72.7
109.10180	37.3
117.07011	10.9
119.08578	21.1
121.10136	21.8
123.11694	22.0
125.09620	69.7
131.08589	24.4
133.10124	18.8
135.08014	10.6
135.11703	21.3
145.10115	13.5
147.11702	10.4
149.13258	19.8
159.11711	15.2
161.13263	9.9
163.07135	7.4
171.10153	10.9
173.13249	10.1
174.17349	5.7
176.90884	6.4
177.36842	5.9
189.11206	79.5
227.12721	70.8
243.21124	15.1
245.13832	77.7
261.22159	73.4
288.22275	6.6
317.24771	19.1
335.25766	83.9
372.99023	8.1
431.31610	8.6
480.62860	6.4
487.34134	7.0
505.35059	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	524.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.5
56.05030	3.3
58.13428	1.4
60.04523	59.5
66.40089	1.2
67.42904	1.2
68.05013	2.5
69.03429	3.8
69.07066	2.1
70.02943	4.0
70.06587	18.2
70.74932	4.8
72.08150	6.3
74.06100	1.6
74.11929	1.5
79.05523	2.3
81.07063	1.9
83.06102	2.2
84.04499	4.4
84.08149	6.0
85.02898	5.5
85.04043	2.7
85.81645	1.6
86.09687	9.7
87.05591	1.6
88.04024	2.0
88.59024	1.3
91.05500	6.1
93.07046	4.6
94.06574	4.4
95.04937	1.5
95.07338	4.7
96.08152	7.2
97.02907	2.9
99.00806	2.0
102.05562	2.7
105.06622	4.6
106.06560	1.6
108.08120	6.6
110.06039	1.5
110.07169	2.5
110.09669	14.3
111.05537	2.8
115.05081	4.5
116.07143	1.7
116.98634	2.1
117.09140	1.6
120.08102	12.8
121.08441	1.9
128.94992	1.5
129.10242	4.0
132.04445	8.9
136.07571	5.6
137.06027	2.4
138.09138	15.2
143.04605	2.7
146.06055	2.1
147.04391	2.9
148.07570	2.9
150.09108	1.8
157.06134	2.2
163.03922	7.2
164.04295	4.9
166.08638	27.2
184.88934	1.4
185.05621	4.8
196.07506	1.9
203.06635	12.6
206.04588	2.1
219.42088	1.5
221.10777	6.7
223.08670	9.9
224.09518	1.9
225.10355	4.2
231.09259	5.2
232.07576	2.3
236.07195	1.6
237.10071	7.2
239.08220	2.2
241.09549	2.7
247.08725	7.5
248.09410	6.5
249.10223	100.0
250.09984	3.6
251.08159	15.4
253.09738	6.7
259.08728	4.9
265.09769	10.1
267.11316	3.7
273.10165	7.0
275.08142	15.6
276.08878	3.4
277.06720	2.3
277.09769	13.8
279.07727	12.1
281.09149	3.3
283.10959	3.2
291.11240	8.6
292.10968	4.8
293.09134	8.0
295.10770	5.4
301.09702	30.6
302.10077	1.6
303.07657	5.1
305.09229	4.1
310.09906	1.5
311.10342	4.5
318.12515	3.0
320.10352	2.3
321.08655	5.3
327.09848	5.6
329.09094	14.7
330.12543	2.3
331.07239	3.5
339.09735	11.2
347.10251	20.7
349.08096	2.2
350.06625	2.6
359.12366	9.4
364.13007	4.3
371.12482	4.7
374.11392	3.4
375.09784	2.3
375.61996	1.7
391.14304	1.9
392.12357	1.8
409.14996	2.2
415.13589	1.6
433.15228	3.3
446.16913	3.6
451.16150	16.6
453.14352	2.6
454.20920	1.8
461.14618	5.7
464.18127	10.4
474.16422	2.3
478.17261	6.4
479.15561	11.7
492.17761	9.0
496.18240	61.8
506.16586	9.0
524.17804	84.9
525.16907	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	523.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.2
55.01870	9.0
55.05508	81.7
57.03435	16.5
57.03990	2.8
57.07084	4.7
59.04976	3.4
65.03914	3.2
67.05500	97.4
69.03429	5.2
69.07068	23.4
71.08631	3.5
78.27716	2.4
79.05489	57.5
81.07052	93.8
83.04977	7.8
83.08611	49.6
91.05473	24.2
93.07034	58.7
95.04971	2.9
95.08603	57.1
97.09528	5.2
97.10162	92.2
104.33402	2.3
105.07016	21.3
107.08589	56.8
109.06573	2.8
109.10155	37.5
117.07033	9.6
117.51675	2.7
119.08572	15.9
121.10136	25.2
123.08072	3.0
123.11677	16.7
125.09623	83.8
126.88561	2.3
131.08592	17.2
133.10130	9.5
133.58321	2.9
135.08049	8.5
135.11710	19.6
137.13171	4.3
143.10733	4.3
145.10123	10.4
146.08585	2.4
147.11664	8.8
149.13252	17.4
151.14787	3.0
153.09070	10.2
159.11676	9.9
161.13269	7.0
163.14821	7.2
171.10188	5.9
172.95209	13.7
173.13237	11.4
175.14771	5.0
177.16335	4.3
187.14842	7.4
189.11197	84.0
190.96312	11.1
205.15929	2.8
210.96910	2.8
227.12764	84.9
228.97861	4.3
243.20995	16.0
245.13838	100.0
261.22137	69.8
279.23151	9.8
301.57629	3.0
317.24677	16.0
335.25732	67.5
345.66455	2.3
346.21964	2.5
353.27643	3.0
413.30280	7.8
431.31885	4.5
444.30862	2.9
449.19882	3.5
487.34430	12.3
505.35181	27.3
523.23248	8.7
523.35675	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	523.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.5
55.01868	6.4
55.05268	5.0
55.05512	79.8
57.03426	15.5
57.07057	5.0
62.00158	3.6
67.05177	5.2
67.05504	76.3
69.03426	7.7
69.07056	21.7
71.21400	5.1
71.21741	6.8
79.05488	57.7
80.07856	3.9
81.07056	80.9
83.04958	3.6
83.08611	36.3
91.05496	19.8
93.07046	54.7
95.04938	4.5
95.08607	48.3
96.82288	3.5
97.10160	97.1
100.08001	3.3
105.07018	12.9
107.08583	46.8
109.10175	31.7
113.83455	3.2
117.07016	8.2
119.08573	12.0
120.46111	3.2
121.10137	20.3
123.08025	5.4
123.11697	12.1
125.09636	77.0
131.08566	11.2
133.10109	14.0
135.11679	12.6
137.13309	6.1
145.10136	9.1
147.11655	6.7
149.13216	9.4
153.09212	5.0
153.98367	3.9
154.76242	3.6
159.11696	6.6
161.13278	6.0
163.14760	5.3
171.10133	5.4
172.95203	4.0
173.13321	12.9
187.14731	6.8
189.11212	68.4
190.96231	7.6
227.12767	70.9
239.95456	3.5
243.20988	15.8
245.13837	100.0
246.14012	4.5
261.22150	64.4
279.23148	7.3
317.24747	11.0
335.25775	62.3
413.30399	10.1
431.31644	5.9
487.34094	7.7
505.35178	25.4
513.63715	4.0
523.22290	6.5
523.35681	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	523.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71482	2.6
53.03932	4.4
55.01862	10.9
55.05507	83.9
56.96566	3.1
57.03430	16.9
57.07068	9.0
59.04945	3.0
63.62486	2.8
67.05500	99.6
69.03426	8.7
69.07069	25.0
71.04982	5.9
71.08627	6.9
71.60887	3.1
72.73532	2.8
75.67247	3.1
79.05491	62.7
81.03403	7.3
81.07053	100.0
83.04976	5.0
83.08617	52.5
85.06500	3.2
85.10187	3.9
91.05480	29.0
93.07037	70.5
95.04974	6.9
95.08038	2.2
95.08595	66.9
97.06502	3.5
97.10165	92.2
99.08109	2.8
103.49905	3.1
104.10754	6.0
105.07022	20.3
107.08584	59.3
109.06474	3.5
109.10136	35.0
111.08099	5.9
117.06996	8.3
119.08543	20.9
121.10139	27.7
122.79317	3.1
123.11694	10.4
125.09617	70.0
130.98164	3.0
131.08543	18.7
133.10150	16.3
135.08061	9.1
135.11682	21.5
136.93092	4.2
143.10632	4.6
145.10133	11.9
147.11710	10.5
149.13257	16.2
153.09096	5.7
154.94141	17.8
159.11694	10.5
161.13249	11.6
163.14835	8.6
171.10229	6.9
172.95219	88.0
173.13254	8.5
184.07362	4.3
187.14835	5.8
189.11205	71.7
190.96281	57.7
195.96840	7.7
199.82042	3.4
201.16449	4.2
210.97623	5.6
213.97818	3.8
224.50050	3.5
227.12772	69.3
228.97798	21.6
243.21117	12.9
245.13832	90.0
246.98880	15.7
261.22101	75.4
267.16006	4.0
279.23218	4.7
313.20987	3.6
313.27460	6.4
317.24771	14.8
335.25787	72.5
383.49902	3.3
413.30469	4.7
431.31573	5.3
449.19632	10.0
467.20868	21.5
481.52112	3.2
487.33981	10.1
505.34924	31.5
523.23401	47.7
523.36328	12.5
524.23767	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	523.213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	6.7
60.09904	6.8
63.35432	5.7
67.04229	12.6
69.80449	6.2
69.80770	34.0
70.06548	7.3
74.02428	9.4
75.12617	5.6
82.06570	100.0
98.21448	12.4
98.97569	12.0
100.07607	27.1
101.12978	6.4
116.98604	9.7
128.00215	15.2
136.06210	9.7
146.01195	8.2
153.81252	5.9
163.03894	6.8
164.21294	6.9
172.39777	6.4
237.02705	11.6
239.07112	8.1
303.08682	16.3
335.06256	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	523.288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72403	0.6
59.51273	0.7
61.33307	0.6
63.58939	0.8
67.05486	1.0
71.60010	0.9
73.10603	0.7
77.02871	0.7
81.07058	1.0
93.07004	0.9
95.08587	1.1
105.03374	1.2
112.84489	0.8
270.12717	0.8
287.18759	1.2
307.75778	0.9
348.70132	0.6
477.56314	0.7
495.80396	0.8
496.33112	0.7
520.74377	0.8
523.28680	100.0
524.28955	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	523.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10137	0.5
67.05504	0.9
69.03437	0.4
69.88497	1.0
69.88919	2.2
76.92443	0.5
77.00870	0.5
79.05473	1.0
81.07074	0.8
91.05498	0.7
95.01954	0.7
95.08595	0.9
199.55536	0.5
233.12395	0.5
253.12828	1.4
271.13995	1.5
309.17102	0.6
373.27484	0.8
449.27454	3.0
505.30814	1.0
523.32373	100.0
524.32617	1.0
537.05334	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.2
56.96561	41.5
67.05484	2.4
68.09086	0.9
69.03422	1.9
69.07077	1.2
70.06581	1.9
71.04970	0.9
71.60009	1.4
71.95269	1.5
74.97604	1.0
79.05489	1.2
81.03414	1.3
81.07053	3.6
83.04974	0.8
84.08091	1.0
84.96035	13.3
85.02904	2.5
86.09716	0.8
91.05466	2.6
91.46615	0.8
93.07041	2.2
95.04981	1.0
95.08617	2.5
98.97576	55.7
99.04461	0.8
102.97079	2.0
105.07029	3.8
107.08593	2.8
109.10163	2.3
110.97549	7.1
112.99128	1.6
115.00716	1.0
116.98612	50.1
117.06988	1.9
119.08554	2.8
121.06470	1.2
121.10141	1.0
126.68485	0.9
126.97214	1.1
127.32834	0.8
128.98590	21.1
130.89088	0.9
131.00134	5.6
131.04996	0.9
131.08546	2.1
133.10124	1.6
134.99649	28.9
137.53659	0.9
140.00197	1.1
140.98624	1.5
143.00160	5.9
144.98083	2.5
145.10124	2.1
146.99649	21.5
147.03247	1.3
147.11690	1.0
149.01208	6.1
152.98633	3.4
153.00700	4.3
158.01233	2.3
158.99670	12.0
159.11633	2.0
161.01210	11.5
162.99191	5.8
165.00717	4.4
167.02271	1.3
170.01256	1.8
170.99666	9.5
173.01208	2.6
173.84756	0.9
177.00714	19.3
177.02179	1.6
179.02261	1.3
181.00276	1.1
183.03400	0.8
186.08675	0.9
189.00717	6.5
189.12964	0.9
191.02249	2.4
193.04951	1.1
193.08670	1.8
195.01707	2.2
200.02299	1.5
201.00742	3.6
203.02400	1.1
207.01698	1.0
209.08087	1.6
219.01743	15.2
221.08394	1.0
237.02795	41.1
238.41396	0.8
242.03484	1.8
252.83685	0.9
255.03769	4.9
257.12152	1.0
260.04382	2.4
263.13315	1.3
273.11707	1.4
275.13135	9.8
277.14761	2.4
289.11359	1.4
291.12741	2.3
293.14215	23.5
295.15848	3.7
302.78482	0.9
303.12485	1.1
309.13916	1.2
311.15302	15.2
316.15707	1.5
317.14243	1.4
321.13712	1.5
329.16550	1.1
335.15225	8.3
353.16473	2.3
377.16537	1.6
419.17212	1.8
437.18460	85.5
438.18573	1.2
455.19498	100.0
473.20905	4.6
478.21094	12.4
479.19449	35.1
496.22028	2.5
497.20575	28.1
520.22424	4.4
523.20197	10.3
523.28760	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	522.3554
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
54.81303	0.4
55.05494	1.8
56.05036	1.1
57.03436	0.5
57.07052	0.7
58.06603	1.2
59.07373	0.5
59.68995	0.4
60.08164	17.9
63.12830	0.3
67.05492	1.4
69.07066	2.2
69.63925	0.7
69.64331	2.5
71.07018	0.7
71.07373	6.4
79.05486	0.5
81.07040	1.4
83.08633	1.0
86.09706	50.2
93.07026	1.1
95.08595	0.8
97.10162	0.6
98.21426	0.8
98.98473	4.1
104.10742	100.0
105.11084	0.8
107.08620	0.4
121.10123	1.0
125.00002	28.0
137.89488	0.4
143.00963	0.6
146.35281	0.4
163.01515	0.7
172.95201	0.9
184.07339	93.4
185.07758	0.9
228.97874	0.4
258.11139	0.9
260.84464	0.4
264.20081	0.4
311.60635	0.5
339.29016	1.3
504.34515	9.1
522.35553	24.7
523.23346	0.7
531.41180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68059	0.1
55.05509	0.4
56.05033	0.4
57.03432	0.2
57.07079	0.1
58.06630	0.5
59.07390	0.2
60.08162	6.3
62.83781	0.1
67.05494	0.3
69.07063	0.4
69.37890	0.5
69.38320	0.4
70.06588	0.1
71.07372	3.0
71.08611	0.1
79.05468	0.1
81.07064	0.2
83.08611	0.4
84.08189	0.1
86.09704	30.7
87.10040	0.2
93.07044	0.3
95.08598	0.3
98.98460	2.6
101.49220	0.1
104.10741	3.3
109.10175	0.1
121.10186	0.1
124.99999	20.0
143.01056	0.3
154.94060	0.2
172.95241	0.6
184.07335	100.0
185.07730	0.5
190.96237	0.3
228.97852	0.3
258.11072	0.3
323.43002	0.1
339.28839	0.1
466.19577	0.1
504.34549	0.7
522.22473	0.2
522.35590	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.01863	3.0
55.05500	7.7
56.96575	2.4
57.03430	7.7
57.07093	2.8
65.76566	2.3
67.04230	3.1
67.05505	13.1
69.03427	26.4
69.07066	18.1
70.06578	6.8
71.04977	4.4
71.21119	4.5
71.21455	4.2
72.08139	2.9
73.02879	4.1
79.05492	15.2
81.03394	8.5
81.07058	31.0
82.06571	9.2
83.04983	3.1
83.08603	8.0
84.08132	3.4
85.02899	29.1
85.06567	2.5
86.09695	4.7
87.00803	5.0
87.04447	8.1
91.05475	14.6
93.07040	26.8
95.08601	31.6
97.02909	21.8
97.06516	5.7
97.10140	2.3
99.04454	3.9
105.01840	3.6
105.07029	27.7
107.08598	34.2
109.02866	7.0
109.06483	3.0
109.10153	16.5
111.04430	3.5
115.03900	12.8
119.08570	25.1
121.06533	2.4
121.10133	24.0
123.08041	3.0
123.11679	8.2
127.03904	9.0
129.10213	4.0
131.08559	3.4
133.04939	13.0
133.10109	19.8
135.08069	4.3
135.11674	21.0
137.05998	4.2
145.04926	3.0
145.10152	3.6
147.11650	12.8
149.13263	7.9
152.50951	2.6
153.12761	7.9
157.10066	3.5
161.13225	4.7
163.03877	2.8
165.10905	2.4
175.14818	98.3
177.16377	100.0
191.18019	2.8
193.04907	3.9
193.08565	6.3
193.15910	4.4
203.17917	10.3
203.19838	3.0
221.19023	4.7
239.20120	6.2
260.32697	2.5
396.85501	2.3
479.22733	4.1
522.27338	7.2
523.21558	11.6
523.28320	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	522.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01866	0.9
55.05510	12.1
57.03182	0.5
57.03435	7.7
57.07078	2.1
58.58622	0.4
60.04503	0.6
65.03920	0.9
67.05503	26.5
69.07068	17.5
69.49310	3.1
71.04974	0.8
71.08614	0.6
72.56287	0.4
74.09650	0.4
79.05491	6.6
81.07054	25.4
83.04975	0.8
83.08617	8.4
85.06528	0.9
85.10156	0.5
88.03988	6.9
91.05475	4.7
93.07041	7.5
95.04942	0.5
95.08604	19.5
97.06524	1.3
97.10155	2.8
98.21518	0.5
98.98466	4.9
99.08055	0.5
105.07022	3.5
106.05019	1.6
107.08585	4.7
109.10146	8.0
110.63276	0.5
111.11696	1.0
119.08583	2.7
121.10121	2.4
123.11736	3.4
133.10127	2.8
135.11713	2.0
137.13251	1.5
142.84662	0.5
147.11684	1.7
149.13213	0.6
151.14935	0.5
155.01079	0.7
156.41541	0.4
159.72226	0.4
161.13246	1.3
163.14851	0.5
173.02118	1.6
175.14902	0.9
245.22610	1.1
263.23743	1.8
337.27353	100.0
338.27670	2.3
350.26968	2.0
408.51648	0.5
508.93631	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43169	4.1
55.05510	7.0
57.29249	4.0
58.43462	4.2
67.05500	12.7
69.03416	15.1
69.07054	9.7
69.38789	15.5
69.39211	24.3
71.04994	13.2
79.05484	19.6
81.03409	8.0
81.07054	100.0
83.08612	4.9
84.08105	5.3
85.02908	16.8
86.09717	5.8
87.00830	11.8
91.05497	8.3
93.07036	33.3
95.08595	20.6
97.02882	9.4
98.20773	8.6
99.04479	5.4
99.08137	8.7
105.01890	13.6
105.07045	40.9
107.08602	46.7
109.10131	36.7
114.90046	4.3
119.08585	76.8
121.10175	13.1
123.11702	18.3
125.09622	4.6
127.03899	8.0
127.11221	25.5
133.10126	45.0
135.11688	88.8
143.10654	13.0
147.11664	24.5
149.13194	5.6
153.12773	7.6
161.13286	11.8
183.98981	5.7
203.17963	64.6
221.18997	48.1
275.93512	5.0
296.16376	5.1
344.75311	4.4
353.13818	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	522.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01862	3.4
57.03427	4.9
61.02921	8.3
62.90155	1.5
69.03421	16.5
69.38208	4.9
69.38625	10.5
70.06581	3.8
71.04989	3.2
73.02926	4.5
81.03410	7.4
84.04468	2.4
85.02901	100.0
87.04469	2.2
89.03932	2.5
91.03934	4.7
91.05457	2.3
97.02888	26.3
98.20759	2.8
98.97575	2.7
99.04460	3.9
109.02879	10.5
115.03931	1.5
116.98568	1.9
117.03384	3.3
119.04935	5.1
127.03917	28.0
129.10281	1.8
131.04926	3.0
135.04391	10.2
145.02882	8.3
145.04955	47.5
147.04391	21.7
148.04767	1.7
160.54358	1.6
160.87753	1.7
163.03905	81.5
163.05949	15.8
181.04961	50.1
183.45030	1.5
184.67462	1.6
189.05666	1.9
237.02795	4.5
248.34387	1.8
279.03952	1.7
314.90829	1.6
349.07935	1.7
523.14130	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	522.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.9
53.55823	1.2
55.05512	1.8
56.05023	1.8
61.02925	1.4
69.03415	1.2
69.07066	16.5
70.06589	8.0
70.52257	2.2
70.52641	3.2
71.06263	1.0
72.08147	2.0
74.02444	1.2
81.03444	1.6
84.04498	2.9
84.08140	4.6
85.02911	2.6
85.04015	1.5
86.09701	100.0
93.07037	1.5
95.05015	1.2
99.01940	1.1
110.07163	2.3
112.07595	1.0
113.03506	2.2
113.10747	5.1
118.06546	3.9
120.04431	1.6
120.08090	2.9
125.03483	1.3
126.09145	1.2
127.12315	4.4
129.10220	2.4
132.04459	9.6
132.10191	4.3
133.02792	1.1
133.07596	1.4
134.06000	5.6
135.11702	1.3
136.07591	2.2
137.02324	1.2
137.10760	1.1
141.10210	5.9
143.11783	1.8
144.04449	7.7
147.05539	4.2
149.07123	2.2
150.05507	5.8
154.08604	3.6
155.11797	6.3
159.05528	2.5
160.03893	2.5
160.06291	1.2
161.05917	1.1
161.07106	28.7
162.05518	9.0
163.03894	1.6
165.10188	6.4
171.05528	17.0
171.11295	6.3
172.03897	1.4
174.05547	1.8
177.06564	4.9
179.08224	1.5
187.05034	9.7
189.06590	50.9
190.04982	2.4
199.10738	1.9
204.07646	2.2
205.06087	10.3
206.04495	2.3
209.09215	3.4
210.12453	2.0
215.04579	4.0
226.11832	9.7
227.08037	1.6
232.07191	8.0
233.05551	7.1
239.11867	2.4
241.09601	3.5
246.14905	6.0
246.65198	1.2
250.08244	3.2
256.14517	2.9
257.12851	2.6
260.06625	7.5
261.05118	2.5
273.12338	2.9
278.07666	24.1
283.10791	4.1
300.13339	1.7
301.11804	16.5
312.19156	7.6
318.06387	1.2
318.14435	5.3
328.13068	1.9
328.79068	1.2
336.15579	3.5
340.18393	1.5
345.15536	2.1
346.14041	4.8
347.12286	2.2
357.10828	1.8
360.07043	1.9
363.16556	10.9
373.15009	2.3
374.13528	3.9
375.11908	1.3
381.17676	9.3
391.16113	22.2
392.14478	9.4
409.17233	2.4
458.23926	4.4
459.22552	1.6
494.25977	2.4
504.24377	3.4
505.22583	1.9
522.16553	1.2
522.24744	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
55.01866	0.4
55.05510	2.1
57.03430	1.0
57.07071	0.2
63.02085	0.2
63.02391	0.4
67.05502	3.1
69.07063	2.0
71.04974	0.2
71.21433	0.2
71.21759	0.1
78.04693	0.2
79.05486	1.3
81.07053	3.5
83.04984	0.2
83.08630	0.8
89.03907	5.0
91.05476	1.2
91.65403	0.1
93.07051	1.3
95.04985	0.3
95.08604	2.6
97.06546	0.2
97.10149	0.4
103.05467	0.2
105.07039	0.7
106.04146	0.2
107.08574	0.6
109.10131	0.9
111.08062	0.2
117.03372	14.5
119.04924	0.2
119.08539	0.2
121.06476	0.2
121.10134	0.6
123.11707	0.2
129.05487	0.2
133.10152	0.4
134.03659	0.9
135.04411	1.2
135.11697	0.3
145.02837	38.4
146.03172	0.3
147.11646	0.2
149.05971	4.4
158.06012	0.3
162.03088	0.3
163.03893	0.9
177.05458	100.0
178.05846	0.9
186.05496	1.3
195.06514	1.1
215.07062	0.2
217.19417	0.2
229.69040	0.1
233.08134	0.1
235.20612	0.2
237.15863	0.1
251.09090	0.4
309.24109	0.2
327.25336	0.6
340.02377	0.1
440.78314	0.2
503.30045	2.7
521.31085	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.2
53.53441	0.2
53.98703	0.2
55.01868	0.5
55.05509	1.9
57.03431	1.4
57.07069	0.3
63.02369	0.4
65.03935	0.2
67.05504	3.4
69.07061	2.0
71.11816	0.3
71.12135	0.4
79.05488	1.4
81.07048	3.7
83.08623	0.9
83.17951	0.2
85.19180	0.2
89.03906	5.1
91.05473	1.4
93.07040	1.7
95.04945	0.5
95.08597	2.9
95.13499	0.2
96.08940	0.2
97.06516	0.4
97.10171	0.6
103.05461	0.2
105.07031	0.9
107.08613	0.4
109.10150	0.9
117.03371	16.1
119.04942	0.2
119.08593	0.4
121.10154	0.5
123.11666	0.3
129.05505	0.4
133.10138	0.4
134.03568	1.1
135.04399	1.3
135.11685	0.4
137.05898	0.3
137.09596	0.3
145.02832	43.4
146.03215	0.4
147.11717	0.5
149.05963	5.6
158.06038	0.3
160.37595	0.2
162.03119	0.3
163.03883	0.8
177.05453	100.0
178.05847	1.1
178.73907	0.2
186.05463	1.4
195.06508	1.3
215.07025	0.3
217.19449	0.2
251.09160	0.5
286.83026	0.2
327.25330	1.3
393.48972	0.3
503.29980	2.1
521.31097	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.3
56.37018	0.6
57.03426	1.0
67.05490	3.7
69.07060	2.3
70.06560	0.8
71.59792	0.8
79.05489	1.6
81.07034	3.1
83.08601	1.8
89.03917	5.2
91.05460	1.1
93.07043	2.1
95.08597	2.9
97.10183	0.9
103.05449	1.1
107.04971	0.8
107.08602	1.4
109.10159	1.8
117.02599	1.3
117.03374	14.6
119.08569	1.1
121.10074	0.7
125.36062	0.7
133.10152	0.8
134.03592	0.8
135.04436	1.6
135.11684	0.7
137.05962	1.4
145.02844	38.1
147.04364	0.6
149.05988	5.5
163.03899	0.8
177.05469	100.0
179.70308	0.6
186.05502	2.4
195.06551	1.0
252.09192	0.7
284.93698	0.7
327.25626	1.1
503.29880	2.9
521.30200	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01866	0.4
56.05021	0.4
56.96554	0.4
68.04974	0.3
69.03420	1.2
69.84107	1.7
70.06592	2.9
72.08150	1.1
77.03922	0.3
79.05490	1.0
81.03414	0.8
83.06139	0.4
84.04497	1.8
84.08137	0.8
85.02905	1.7
85.07674	0.6
86.09708	1.9
91.05483	2.2
93.07015	0.6
95.04978	1.7
97.02917	0.6
98.21490	0.4
99.04450	0.4
101.07098	0.5
102.05512	1.0
103.05462	51.3
105.04505	0.3
105.07026	3.7
107.04953	0.8
109.02872	0.5
110.07156	0.8
115.05439	0.9
115.08719	0.3
116.07100	0.7
119.04935	1.3
120.08120	1.4
122.03664	0.6
127.03907	0.4
129.10194	0.5
131.04921	100.0
132.05167	0.7
133.06494	3.4
137.05974	4.0
147.04401	1.4
151.03905	0.3
151.07573	0.4
159.08087	0.6
161.04619	0.5
161.05971	9.9
163.07530	28.3
167.07005	0.4
175.07521	1.1
177.05495	0.3
179.07037	1.1
187.07541	1.3
227.10265	0.5
245.11124	0.4
265.94040	0.3
273.03894	0.8
291.10126	0.6
311.12674	0.7
333.80252	0.3
362.70587	0.3
383.14813	0.6
424.29941	0.3
521.19897	1.3
521.26666	0.5
522.15417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19185	0.1
51.41273	0.1
55.05501	0.3
56.05030	0.5
57.03432	0.2
58.06620	0.4
59.07394	0.2
60.08157	6.1
67.05502	0.6
69.07060	0.4
69.45058	0.6
70.06576	0.1
71.07365	3.0
73.46881	0.1
75.98608	0.1
79.05498	0.2
81.07040	0.4
81.79487	0.1
83.08611	0.1
86.09697	30.5
87.10011	0.1
93.07053	0.2
95.08588	0.3
98.98453	3.0
104.10732	2.9
105.06997	0.1
107.08572	0.1
109.10125	0.1
123.11688	0.1
124.99992	21.8
126.00302	0.1
142.69211	0.1
143.01035	0.3
146.70711	0.1
164.65910	0.1
166.02693	0.2
184.07323	100.0
185.07655	0.3
202.91275	0.1
243.52365	0.1
245.76538	0.1
258.10938	0.3
329.29236	0.1
337.27133	0.2
488.12527	0.1
502.32761	0.9
520.33917	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3397
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05516	1.1
56.05029	1.4
57.03429	0.5
58.06572	1.2
59.07371	0.3
60.08162	17.3
60.24048	0.2
67.05502	3.5
69.07066	1.5
70.14571	0.8
71.07371	6.8
79.05484	0.8
81.07053	2.8
83.08623	0.5
86.09701	51.8
91.05484	0.4
93.06461	0.2
93.07049	0.8
95.08597	2.0
98.33541	0.2
98.98468	3.8
102.27718	0.2
104.10738	100.0
105.11078	0.4
107.08607	0.3
109.10136	0.5
115.55930	0.2
119.08633	0.3
124.99998	28.3
133.10199	0.2
143.01054	0.4
163.01556	0.6
166.02664	0.2
184.07332	96.9
185.07687	0.4
240.09915	0.3
258.11072	1.6
337.27322	1.1
443.25449	0.5
502.32941	8.6
520.33954	27.6
521.34595	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1291
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.03932	1.2
55.01859	1.7
55.05505	0.7
56.96559	0.6
57.03411	0.6
60.04073	0.5
60.19842	0.5
61.02897	0.7
67.01865	4.8
67.05494	1.4
67.48577	0.6
68.99478	0.6
68.99816	2.2
69.03439	4.2
69.07053	1.0
70.04384	0.6
70.06584	2.5
71.60074	1.1
72.08138	1.1
72.16962	0.5
73.02901	0.5
76.02212	0.7
79.05485	1.3
81.03404	3.4
81.07046	3.0
83.05002	0.8
84.04479	0.8
84.08134	1.3
85.02900	6.5
86.09705	2.8
87.00813	1.6
91.05467	3.8
93.07042	1.3
95.04967	0.8
95.08598	1.8
96.19427	0.5
97.02898	2.8
97.06556	0.7
98.97589	0.6
99.04440	1.1
105.01854	1.7
105.07011	2.1
107.04967	2.6
107.08591	1.5
109.02859	2.5
109.10101	1.2
110.07161	1.0
111.04488	0.8
117.06995	0.6
119.04951	6.2
119.08566	1.4
120.08131	1.6
121.06527	2.7
121.10166	1.3
123.04435	1.9
125.09570	0.7
127.03913	4.6
129.01851	1.1
129.10242	0.9
131.04924	1.2
131.08534	0.8
135.08028	0.7
135.11668	1.2
136.07523	0.6
137.05980	4.9
145.04991	1.6
145.06441	0.6
145.10081	0.8
147.03210	0.8
147.04399	21.7
147.11670	0.9
151.03845	1.1
153.01823	78.6
156.03575	0.6
159.02826	1.3
159.11568	0.6
161.05983	0.6
163.03900	0.6
163.07474	0.6
167.06990	1.0
171.02885	43.6
177.05391	0.8
179.03378	2.6
193.05022	1.0
195.02957	1.5
207.06503	0.6
245.10257	0.8
261.03928	0.7
273.07565	100.0
274.07901	1.1
295.09787	0.7
297.07523	0.6
305.24756	0.9
308.94174	0.5
326.12946	2.9
374.18451	1.1
477.23172	0.8
521.15875	1.2
521.27448	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	520.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52936	4.4
53.03944	6.2
55.01871	6.5
55.05514	10.3
57.03460	6.5
61.02938	6.4
67.05507	18.9
69.03430	33.7
69.07069	17.8
69.50406	4.7
70.06599	18.9
71.04991	15.9
79.05499	15.9
81.03451	25.7
81.07053	44.4
83.05012	7.2
84.04485	8.7
84.08178	5.1
85.02914	72.7
86.09703	15.4
87.00838	31.8
91.05447	27.7
93.07043	80.1
95.04994	8.7
95.08597	40.0
97.02886	35.4
97.77972	6.2
99.04480	10.3
100.15811	5.1
105.01864	41.5
105.07039	33.1
107.04972	6.7
107.08590	100.0
109.02888	21.1
109.10162	25.0
111.04469	5.2
111.08135	5.6
115.92120	5.0
119.08585	18.2
121.10153	40.5
123.11726	7.7
127.03921	57.6
129.10210	7.7
131.08562	20.4
133.10138	23.5
135.11682	5.5
136.63969	5.6
137.05975	7.7
145.04974	20.0
145.10112	29.9
146.10797	5.3
147.11684	14.9
149.13252	73.3
159.02927	12.7
159.11716	14.1
161.13242	9.6
167.14331	18.5
169.10236	6.2
193.05029	6.7
201.16425	22.2
219.17561	11.7
221.98108	5.0
229.85065	6.0
231.04982	12.6
322.65128	5.0
343.09268	5.6
373.17493	6.9
426.11102	5.6
426.64691	5.2
458.37277	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	520.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.4
55.05506	34.9
57.03418	2.7
57.07064	2.4
60.26908	2.0
67.05508	13.9
69.03423	13.0
69.07059	14.6
70.94656	5.2
71.04980	4.7
73.06535	5.3
75.44673	2.2
79.05490	15.9
81.03404	8.7
81.07053	20.8
81.88622	2.3
82.06561	6.0
83.04951	5.0
83.08611	4.7
85.02896	21.9
87.00788	10.8
91.05473	15.8
93.07035	46.1
95.04958	9.2
95.08599	32.6
97.02882	10.3
97.06525	4.4
97.10163	4.0
99.04410	5.9
99.08076	4.3
105.01852	11.2
105.06379	4.1
105.07030	49.9
107.04932	2.6
107.08589	47.0
109.02863	7.9
109.06492	4.0
109.10164	23.9
111.08059	8.1
117.01949	2.0
117.07005	8.0
119.08563	33.6
121.06503	3.0
121.10136	100.0
123.04402	2.6
123.08058	9.8
123.11684	4.9
125.09602	3.6
127.03904	13.6
129.07008	3.2
130.07790	3.2
131.08585	16.1
133.10123	19.1
135.08081	2.6
135.11684	27.4
137.05865	2.3
137.09607	3.6
143.08545	2.7
144.09320	4.2
145.04933	6.3
145.10120	38.7
146.10864	4.1
147.11685	16.8
149.09593	3.8
149.13225	6.9
151.11130	6.1
157.10173	2.2
159.02943	3.5
159.10432	3.1
159.11691	32.4
161.13219	11.7
163.05649	2.0
163.11166	18.5
171.62761	2.0
173.13229	8.4
175.14812	8.1
177.12770	10.9
177.16348	3.0
191.17888	10.7
196.94121	2.1
201.16362	46.5
207.86095	2.2
219.17392	25.9
231.04996	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	520.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.3
55.01873	7.0
55.05514	7.4
56.05040	6.2
57.03445	3.7
58.99592	12.0
61.02920	4.3
67.05517	15.4
68.99814	2.7
69.03438	21.5
69.07071	15.6
70.06587	3.1
70.11651	7.9
71.04997	11.3
73.02928	5.3
76.02233	28.7
76.04005	1.9
79.05493	19.3
81.03420	15.1
81.07061	38.1
83.04980	1.7
83.06096	1.7
83.08639	4.0
84.04507	8.8
85.02911	52.3
85.06563	1.8
86.00658	4.6
86.09709	1.9
86.99065	4.7
87.00834	22.4
87.02695	2.2
88.02248	3.7
91.05487	22.0
93.07047	70.4
94.06593	3.5
95.04979	6.1
95.08607	20.3
97.01128	7.4
97.02901	19.8
97.06557	4.1
99.04460	8.1
102.05575	4.4
103.03940	1.7
105.01879	29.4
105.07043	19.6
107.05003	1.4
107.08601	100.0
108.08135	1.3
109.02885	16.8
109.06538	5.5
109.10174	9.6
111.02682	6.9
111.08095	2.8
116.01676	19.9
117.01922	1.9
117.07018	4.5
119.08607	10.1
120.08109	2.1
121.10151	43.0
121.26647	1.3
123.02630	1.4
123.08040	1.7
123.11737	5.9
127.03918	37.7
129.01894	2.2
129.06645	4.4
130.05054	3.0
130.07797	1.8
131.08615	7.7
133.10130	13.1
135.11705	6.7
137.04265	1.6
141.04950	1.4
142.03221	3.4
143.02731	1.5
143.08536	2.9
144.01210	7.2
145.04970	16.2
145.06035	2.6
145.10172	9.3
147.02876	2.0
147.11699	8.2
149.09778	2.2
149.13269	84.0
150.13666	1.4
151.11224	3.5
151.14821	2.9
155.08578	1.6
157.10129	2.0
159.02875	9.7
159.11681	14.0
161.13260	4.9
162.02222	20.2
165.12708	2.3
167.14343	7.6
173.13293	4.1
177.12781	5.1
179.04868	16.8
187.05327	1.8
188.71837	1.5
189.03766	1.6
191.14410	3.1
193.05013	5.2
194.15625	1.7
195.13791	8.3
201.16383	11.7
206.15590	2.0
212.16452	3.3
213.03967	2.1
213.14726	2.9
217.23598	1.8
219.17442	4.4
226.12625	1.9
231.05099	8.3
233.05846	2.0
245.05742	2.0
249.06091	4.0
252.14215	6.7
253.12595	4.1
257.15408	2.6
270.14893	14.0
275.16498	3.1
285.83868	1.5
288.16284	14.8
295.64532	1.7
298.14825	2.7
308.09082	2.2
312.12775	2.9
355.16797	2.9
361.16589	1.8
373.17947	89.4
374.18378	1.6
391.19073	5.5
435.97949	1.5
445.19925	5.0
502.22067	1.8
503.20328	1.6
520.23608	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	520.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.0
55.05513	8.7
57.03433	7.0
57.07068	0.9
65.03944	1.1
67.05503	28.7
69.07071	8.4
69.07417	1.1
69.88152	1.4
69.88563	2.1
71.04990	1.1
79.05057	1.1
79.05492	16.1
81.07056	26.0
83.04975	0.9
83.08604	2.3
85.06529	1.0
88.03989	8.1
91.05472	8.8
93.07043	16.9
95.04949	2.2
95.08608	22.6
97.06525	0.6
97.10167	1.1
98.98447	5.7
105.07028	4.8
106.05030	1.9
107.08582	6.4
109.10158	8.0
117.06976	1.1
119.08585	3.3
121.10141	6.3
123.11703	2.1
131.08524	2.1
133.10150	3.3
135.11661	3.6
137.13322	1.1
139.77818	0.6
145.10175	1.3
147.11647	1.5
149.13228	1.6
155.01042	0.8
158.90311	0.7
159.11690	0.9
161.13242	1.4
173.02052	1.2
173.13193	0.8
175.87540	0.6
177.05461	1.7
187.14763	0.6
191.14221	0.7
243.21162	1.1
252.72141	0.6
261.22052	1.5
335.25790	100.0
348.25281	1.5
349.16608	0.8
388.73611	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33850	1.4
53.03933	6.0
55.01859	5.3
55.05510	8.9
57.03427	3.5
57.07057	3.0
58.99578	2.0
61.02922	2.1
67.05503	21.3
68.99798	1.5
69.03429	14.5
69.07053	10.5
70.06572	5.7
70.11716	6.6
71.04978	7.1
73.02927	2.0
75.34978	1.6
76.02229	5.9
79.05484	24.3
81.03414	11.6
81.07054	100.0
83.04981	2.5
83.08609	4.7
84.04482	3.9
84.08135	2.2
85.02895	25.7
85.06541	5.9
86.09711	4.5
87.00833	8.6
91.03951	2.0
91.05474	18.5
93.07037	40.1
94.06601	1.7
95.04961	5.6
95.08603	28.4
97.02882	13.7
97.06533	5.5
98.79444	1.6
98.97564	2.0
99.04450	4.5
105.01884	7.5
105.07024	33.5
107.08593	39.9
108.08038	1.7
109.02885	9.9
109.06511	5.6
109.10139	22.7
111.08074	8.5
116.01668	3.8
117.07021	5.9
119.08566	27.6
119.09347	2.8
121.10147	21.6
123.08081	10.8
123.11678	4.9
125.09650	1.6
127.03910	17.2
129.07065	1.5
130.07803	4.7
131.08568	17.0
133.10123	27.4
135.08069	3.9
135.11659	13.8
137.09630	7.2
144.01128	1.9
144.09285	1.5
145.04947	9.9
145.10120	35.1
145.63052	1.6
147.11656	10.4
149.09575	4.5
149.13223	6.6
151.11194	5.7
152.07085	2.3
157.10109	2.2
158.10913	1.6
159.02885	4.7
159.11685	28.4
161.13229	11.0
162.02214	4.3
163.11176	16.7
165.12718	3.2
173.13263	7.2
175.14798	3.4
177.12779	3.4
179.04877	2.8
191.17982	2.5
201.16365	36.6
201.18254	2.3
210.04613	1.6
218.54247	1.9
219.17436	37.2
231.05080	2.5
270.15186	2.4
271.05981	3.5
272.06287	2.2
280.08163	2.0
286.93768	1.7
288.16226	4.3
306.40866	1.7
361.11264	3.1
361.61234	3.7
362.11658	3.2
373.17789	18.1
424.50705	1.7
520.22626	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.05508	7.4
57.03434	7.3
57.07062	0.5
60.04505	0.8
65.03923	1.4
67.05502	33.2
69.06720	0.6
69.07065	8.0
70.75411	0.5
70.79420	0.5
70.79727	0.9
71.04967	0.8
79.05492	15.2
81.03415	0.8
81.07054	27.6
83.04964	1.0
83.08615	3.0
85.06556	0.6
88.03992	7.2
91.05474	6.5
93.07040	18.6
95.04948	2.2
95.08605	23.1
97.06512	1.2
97.10151	1.5
97.39991	0.5
98.98461	5.7
105.07029	5.5
106.05022	1.4
107.08593	8.1
109.06498	1.0
109.10150	8.5
117.06995	1.9
119.08578	4.3
121.10133	6.5
123.08058	0.7
123.11674	2.1
131.08527	2.9
133.10097	2.3
135.11688	3.2
145.02838	0.5
145.10098	2.1
147.11661	0.9
149.13237	1.4
149.68819	0.5
155.18263	0.5
159.11696	0.9
161.13240	0.7
163.14865	0.8
173.02057	1.5
173.13254	1.1
177.05481	1.2
244.15659	0.6
246.70863	0.6
260.05310	0.7
261.22006	1.2
335.25787	100.0
336.25995	1.5
348.25659	1.1
358.16257	0.6
364.54047	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01857	3.4
55.05497	4.1
56.05023	4.4
57.03429	1.9
58.99586	11.2
61.50969	0.8
65.57984	0.8
67.05174	1.0
67.05507	14.8
68.05012	2.1
69.03404	3.0
69.07072	4.8
70.06585	4.4
71.04987	2.2
71.59301	0.9
71.59637	1.2
72.08143	1.0
74.00643	1.4
76.02224	31.7
76.03979	2.6
79.05486	8.9
79.69479	0.8
80.05011	1.9
81.03397	3.3
81.07053	24.1
82.06575	1.8
83.04968	2.5
83.06097	2.9
83.08605	3.0
84.04506	8.8
84.08145	1.6
85.01135	1.1
85.02901	6.8
85.06540	1.2
86.00648	5.6
86.09665	1.6
86.99059	4.9
87.00793	2.5
87.02682	2.0
88.02188	3.2
91.05469	9.0
93.06471	1.3
93.07038	18.9
94.06557	1.5
95.04977	3.5
95.08601	10.3
96.08127	1.0
97.01100	6.6
97.02883	2.2
97.06522	3.3
97.78203	0.8
99.02631	1.7
99.04425	1.0
99.05594	1.3
99.08096	1.6
102.05544	4.3
105.01848	3.6
105.07002	9.6
107.04945	2.1
107.08584	10.5
109.02842	1.7
109.06487	1.5
109.10138	4.5
110.07143	1.0
111.02643	3.9
111.08073	3.8
114.03725	2.0
114.05551	1.1
116.01669	22.1
117.07037	5.7
117.63194	0.9
119.08572	5.3
121.10136	6.8
123.02660	1.4
123.08061	1.6
123.11697	3.0
125.04195	1.5
127.03896	2.9
129.06627	3.3
130.04987	3.0
131.08556	7.9
133.10130	9.2
135.11710	5.0
137.04184	1.6
137.05997	3.2
142.03212	3.4
143.02727	1.5
144.01143	6.5
145.04967	1.7
145.06093	1.1
145.10094	6.7
147.11662	2.0
149.09613	1.2
149.13232	8.1
151.05826	0.9
151.11160	2.8
157.10019	1.4
159.11676	8.8
161.05998	1.2
161.13220	5.5
162.02185	19.1
163.03842	1.1
163.11142	1.8
163.14798	1.1
165.12663	1.8
170.02666	1.4
173.13243	4.0
175.14778	1.4
177.12743	3.3
179.04837	16.9
181.06061	1.0
183.08459	1.3
189.03288	2.3
191.08920	1.9
194.15318	2.7
195.13795	9.5
201.16348	5.9
206.15372	1.3
207.11967	1.3
209.09891	1.2
212.16415	3.6
213.14827	3.5
217.10425	1.2
218.15430	1.3
219.17415	3.2
223.11533	1.2
224.16522	2.1
226.12613	2.3
233.05862	3.0
235.11546	2.5
244.13661	1.5
245.05855	1.4
252.14136	8.1
253.12648	2.4
270.14951	18.1
288.16235	16.5
298.14648	1.3
308.09091	1.7
312.12503	1.8
327.17105	1.5
355.16772	2.0
373.17886	100.0
374.18118	2.1
391.19077	2.9
394.01407	1.1
412.53409	1.0
427.18613	1.6
445.19934	5.4
502.21957	2.5
520.23322	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	519.2931
Annotation	Segetalin G
Peak:m/z	Relative Intensity
65.82290	0.5
67.05500	0.8
69.07071	0.7
71.59761	1.0
71.96993	0.6
79.05470	0.7
81.07064	1.1
91.12447	0.5
93.07050	0.9
95.08576	0.8
105.07024	0.7
107.04929	2.7
109.10129	0.9
117.07041	0.8
119.08582	0.7
123.04413	0.5
129.16451	0.7
129.97083	0.6
131.04893	1.0
133.10060	0.6
137.06007	1.1
167.05536	1.0
167.07043	0.7
175.07759	0.5
256.97937	0.7
299.06198	0.8
409.22586	1.0
427.23465	1.6
445.24591	0.9
501.27374	3.6
519.29279	100.0
520.29730	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68044	0.6
55.89724	0.7
56.05012	0.7
56.96553	0.7
67.37294	0.6
69.73548	0.7
70.06564	0.6
70.91354	1.9
75.55647	0.6
77.70641	0.7
79.05483	1.0
82.06558	0.7
82.46911	0.6
84.04485	0.8
84.08119	0.7
86.09703	1.2
89.03933	1.6
93.07019	1.4
95.04971	1.0
98.20929	0.9
103.05457	7.2
104.50609	0.7
107.04925	1.6
117.03338	1.4
117.12782	0.6
120.08096	100.0
131.04945	1.6
135.04422	3.0
145.02843	2.2
149.05951	1.2
150.59831	0.6
163.03883	25.9
164.04126	1.0
166.08627	46.9
175.61182	0.7
237.02829	1.0
458.41788	0.7
484.07025	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.04668	1.3
55.05502	2.6
55.74557	1.6
59.89228	1.4
65.03959	2.0
69.03429	12.0
69.07059	1.7
70.06586	13.1
71.04990	17.0
71.59450	2.3
72.08183	3.4
76.02217	4.3
78.01797	3.8
79.05479	2.4
80.96515	1.5
81.03417	10.0
81.07068	2.9
83.04974	3.5
84.04501	5.6
84.08131	3.7
85.02895	13.5
86.09702	5.6
86.72549	1.4
88.03976	2.8
89.06029	83.7
91.05477	15.6
93.07030	2.1
95.04997	2.3
96.08162	1.5
97.02885	30.6
99.04444	8.0
103.05502	1.8
105.06987	2.2
108.04465	3.3
108.08099	2.2
109.02869	13.0
110.07156	3.0
116.07102	2.0
119.04945	18.3
119.08523	1.6
120.08125	3.4
122.06058	1.9
123.04465	1.6
127.03931	13.7
129.10239	2.3
135.06528	12.5
136.07573	6.0
137.05983	2.4
138.09108	2.5
139.09419	1.5
144.04427	3.6
145.04932	14.2
147.04381	16.0
147.11638	1.6
149.80746	1.3
161.06007	1.6
162.05582	2.3
164.01773	2.4
166.08620	4.7
167.08965	1.9
172.03954	16.3
173.04303	12.6
173.05724	2.2
175.02502	2.6
175.03903	32.2
175.05618	1.8
175.06032	1.7
179.04874	4.2
181.04366	3.1
190.05017	6.5
191.05351	4.4
192.04208	6.9
193.08473	1.6
204.06552	33.5
205.06882	25.8
207.06523	100.0
211.13371	1.8
215.11842	3.2
225.07579	33.8
243.08736	2.0
243.84247	1.5
249.07715	2.6
261.09622	4.6
271.09619	3.0
297.16876	1.7
310.08890	3.1
333.09662	1.9
334.08926	2.3
357.14371	2.1
358.14676	3.1
470.15915	1.7
488.17773	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2798
Annotation	Gusanlungionoside C
Peak:m/z	Relative Intensity
55.05505	8.8
55.73555	2.5
57.07053	3.5
57.80162	2.4
63.02042	2.5
67.05496	14.4
69.03449	7.4
69.07057	13.5
69.30585	14.4
69.31011	14.5
70.06562	5.4
71.04980	9.2
79.05499	5.4
81.07037	12.9
83.04999	4.9
83.08647	6.3
84.04491	3.2
85.02890	15.2
86.09712	5.2
91.05436	3.4
93.07063	10.2
95.04938	2.9
95.08611	25.8
97.01079	2.8
97.02905	5.1
98.21532	6.4
99.08064	3.9
105.07032	6.6
107.08596	18.7
109.02867	3.2
109.06524	10.0
109.10153	78.1
111.08084	3.9
119.08588	31.1
121.10149	8.9
123.08060	12.3
123.11722	5.9
133.10123	18.6
135.11682	82.5
135.72041	2.6
137.05981	9.2
137.09615	11.5
149.13258	3.9
151.11125	6.5
151.14841	8.0
165.16554	2.9
172.03969	4.4
175.14836	42.3
193.05013	3.9
193.15871	62.3
204.06606	5.7
207.06593	3.2
211.16913	100.0
216.95551	2.6
340.13123	4.3
519.24225	72.7
519.31146	4.2
520.24268	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	519.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.3
67.05501	0.5
69.03438	0.8
69.07051	0.4
69.40977	1.5
69.41413	1.4
70.06590	2.2
71.04985	0.5
72.08157	0.7
79.05480	0.6
81.03399	1.1
81.07061	0.9
84.04492	0.4
84.08149	0.4
85.02901	1.0
85.07650	0.8
86.09700	1.4
91.05485	0.8
92.17307	0.4
93.07047	0.6
95.08613	0.5
97.02892	0.5
98.97562	0.4
103.05463	0.3
105.07027	0.8
107.04968	0.4
107.08579	0.9
109.02854	0.4
120.08057	0.4
121.10138	0.9
122.06048	0.4
133.10088	1.9
134.10457	1.2
137.05957	1.9
137.09621	1.2
147.04437	0.4
150.47643	0.4
157.10126	0.4
172.03922	0.9
191.14334	1.1
192.07628	0.3
192.14581	0.4
193.12199	0.4
193.14992	0.6
203.05312	0.8
204.06506	0.6
207.06662	0.4
209.15149	0.4
243.08817	1.0
259.07959	1.5
268.10770	0.9
283.15109	0.4
299.06113	0.5
357.18774	3.2
400.62289	0.3
459.22510	0.9
487.21283	0.6
519.24139	100.0
520.14044	0.3
520.24469	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	519.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99616	1.2
55.05508	4.2
55.90048	1.3
56.05024	1.3
57.07060	1.6
57.73371	1.2
58.99578	2.9
66.04667	1.1
67.05495	7.2
69.03426	3.8
69.07071	4.1
70.06591	3.8
71.04977	3.0
71.60024	2.2
76.02225	4.4
76.81780	1.4
79.05489	3.6
81.03400	4.2
81.07059	9.6
83.04980	1.4
83.08606	3.5
84.04486	3.3
85.02903	10.9
85.06536	2.0
86.09695	3.9
91.05484	4.4
93.07043	6.8
95.08613	10.1
97.01128	1.8
97.02850	2.3
97.06500	2.8
97.10231	1.6
99.08092	1.5
105.07020	4.8
107.04958	1.6
107.08591	10.0
109.02892	2.0
109.06512	2.5
109.10131	15.8
111.08081	5.9
116.01679	3.6
119.08562	10.4
120.08134	1.8
121.10124	8.3
123.08061	8.7
123.11720	4.2
125.09613	1.5
129.06992	1.4
130.04979	1.4
131.08626	1.9
133.10120	8.9
135.11691	11.8
137.05989	5.2
137.09618	17.0
144.01070	2.1
147.11690	2.2
149.13284	4.0
151.11157	3.4
151.14806	1.6
159.11681	2.1
162.02197	2.0
165.12738	2.8
169.41698	1.3
172.03990	2.4
175.14819	18.1
179.04857	1.8
193.05087	1.8
193.15862	13.6
195.13832	2.4
204.06567	5.2
211.16919	100.0
252.14134	2.0
265.45520	1.3
270.15082	2.2
288.16275	2.1
335.94162	1.6
357.68448	1.4
373.17850	13.9
373.21982	2.0
433.15286	2.7
448.15515	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02187	0.4
57.03435	0.6
57.69445	0.4
61.02912	0.4
63.68405	0.4
65.03923	0.5
67.05494	0.6
69.03432	1.7
70.06587	1.9
70.16405	1.9
72.08144	0.8
73.02917	0.4
74.06083	0.4
79.05470	0.5
81.03419	1.9
81.03825	0.5
81.07043	0.7
84.08140	0.8
85.02882	2.3
86.06170	0.3
86.09702	1.3
88.86039	0.4
89.03920	0.8
89.14655	0.4
91.05429	0.8
93.07024	1.5
94.06544	1.2
95.04955	1.0
95.07361	1.2
96.08132	1.5
97.02905	1.0
97.06530	0.7
97.45875	0.4
98.16563	0.4
99.04435	0.6
105.07081	0.4
107.04958	0.4
107.08598	0.5
108.08131	2.3
108.08758	0.5
109.02885	1.0
110.07160	0.6
110.09666	4.2
115.05412	0.4
116.04987	4.5
119.04964	0.4
120.08101	3.3
122.06047	2.7
124.07626	0.5
125.09617	0.5
127.03911	0.7
129.10229	0.5
132.04469	0.6
134.06003	0.7
136.07574	5.2
137.06015	2.0
138.09125	3.5
144.04434	10.6
145.05150	0.6
146.05994	1.6
148.03926	1.5
148.07570	1.6
161.06024	0.5
162.05498	4.6
166.05006	0.7
166.08630	11.9
171.58748	0.5
172.03925	51.0
174.05507	1.2
176.07088	0.4
177.05469	0.6
190.04988	9.0
190.06720	0.5
193.04953	1.5
195.57791	0.4
195.93593	0.4
197.54709	0.4
204.06549	100.0
205.06758	0.4
251.11992	0.6
253.09729	0.9
255.11281	0.4
279.11298	0.9
281.09122	0.6
283.06064	0.5
283.10788	0.9
297.12418	0.4
299.06006	0.5
309.08524	0.6
325.11801	1.4
329.14920	1.7
334.09244	2.1
337.07935	0.4
339.13281	1.9
343.12753	0.8
347.12436	0.4
355.09195	0.4
357.14417	10.5
366.11639	0.4
377.01767	0.7
383.11874	0.5
392.99039	0.5
487.17099	1.2
501.18579	1.1
515.06317	0.4
519.17804	0.8
519.23914	2.0
528.56134	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97172	0.1
55.05498	0.2
55.25402	0.1
56.05028	0.6
57.03436	0.2
58.06329	0.2
58.06640	0.5
59.07382	0.1
60.08162	7.1
60.64102	0.1
62.29051	0.1
67.05507	0.6
67.05811	0.1
70.06598	0.1
71.07372	3.3
79.05497	0.4
80.97446	0.1
81.07054	0.4
84.73762	0.1
86.09703	33.3
87.10058	0.1
91.05492	0.2
93.07044	0.4
95.08594	0.3
98.20760	0.2
98.98459	3.7
104.10739	3.1
104.11402	0.2
107.08578	0.1
109.10163	0.1
124.99999	23.6
131.08572	0.1
141.15381	0.1
143.01050	0.4
173.23248	0.1
184.07332	100.0
185.07635	0.5
197.91724	0.1
258.11093	0.1
323.55972	0.1
335.25787	0.2
500.31400	0.9
518.32434	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
56.05024	1.2
58.06599	1.5
60.08161	17.0
67.05502	2.9
69.07065	0.7
69.91893	1.9
71.07372	7.6
79.05484	1.4
81.07054	1.5
86.09702	48.9
91.05473	0.7
92.72249	0.4
93.07037	1.8
95.04965	0.4
95.08620	1.3
98.98466	4.2
104.10740	100.0
105.11034	0.4
107.08608	0.6
109.10087	0.4
124.99998	27.3
143.01114	0.5
163.01593	0.6
172.14854	0.4
184.07335	96.0
185.07738	0.6
247.99417	0.4
255.37097	0.4
258.10950	1.1
335.25793	1.2
393.00787	0.4
441.24149	0.5
500.31424	7.7
518.32422	24.1
519.32874	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	10.2
55.05503	3.3
56.92333	1.8
57.03435	3.1
59.76450	2.0
60.54809	1.9
61.02911	3.8
65.03912	2.7
67.05505	4.2
69.03430	12.5
69.07041	2.0
70.06581	5.1
71.04980	2.7
78.67000	2.5
79.05502	4.9
80.78689	1.8
81.03413	6.0
81.07045	8.0
85.02904	26.0
86.09723	3.2
91.05457	6.7
93.07024	2.6
94.04182	5.0
95.04970	2.5
95.08591	5.7
97.02885	9.6
97.06473	2.3
100.11230	2.8
103.05450	8.0
105.07001	7.9
107.04948	2.7
107.08559	2.5
109.02886	2.5
109.06486	3.5
111.04434	6.3
115.05429	7.3
117.07038	2.5
119.04939	1.8
119.08614	4.9
121.10104	3.4
122.03644	7.7
123.11670	2.2
125.05986	3.3
127.03877	4.2
129.06987	7.4
131.04984	10.2
133.06453	2.5
137.05980	100.0
141.07005	2.2
143.04916	3.9
145.06477	2.6
146.03572	2.3
147.04381	4.2
149.05966	6.3
151.03896	3.5
155.04907	2.4
157.06474	4.9
159.04309	2.1
160.05254	2.9
161.06023	19.1
163.07541	11.1
165.05537	12.4
171.04414	3.1
173.05983	2.7
175.07532	7.5
177.05464	8.4
183.04405	3.0
187.07536	2.8
189.06985	5.4
189.09058	2.7
190.07834	4.2
191.07004	13.3
191.08556	7.6
203.06946	4.7
204.06459	3.7
206.07259	2.3
207.08179	3.2
215.06964	6.7
217.06604	3.8
217.08498	15.6
218.07211	8.2
219.08066	13.5
223.07454	2.8
229.06418	5.1
229.71011	2.3
231.08063	3.6
233.09528	2.9
234.06705	6.1
235.07507	10.5
236.08315	3.1
239.07594	2.1
245.05867	2.9
246.06712	8.0
247.07541	17.1
248.08295	4.9
249.09071	8.5
251.10693	4.1
253.08611	2.5
257.05945	3.8
258.06534	3.1
259.07526	5.4
261.09119	19.9
262.06351	5.3
263.06964	7.0
264.07770	8.1
265.08719	4.2
267.09930	3.5
274.06296	11.3
275.06882	10.7
276.07751	2.9
277.08582	15.7
278.09344	4.0
279.03928	3.0
279.07007	3.5
279.09991	11.2
280.07202	2.9
289.08578	27.8
290.09253	3.7
291.07080	2.0
291.09961	9.5
292.07358	4.1
294.08768	6.4
294.88892	2.1
295.09549	3.8
297.11331	3.1
299.06049	2.9
306.08813	8.7
307.09631	43.6
308.10425	2.7
309.11127	13.6
311.12723	2.4
321.11172	56.6
323.12781	12.6
327.12268	50.0
339.12234	43.9
339.25153	2.2
341.13690	6.6
357.13419	18.9
376.21188	2.0
419.63541	2.3
441.63223	4.5
494.41125	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	518.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	9.7
55.01862	12.1
55.05510	9.0
56.96558	5.5
57.03426	9.6
61.02925	4.2
65.90175	4.6
67.05494	16.4
68.99773	5.3
69.03426	51.0
69.07055	8.9
69.51135	32.2
70.06581	17.2
71.04980	11.4
72.08174	5.6
73.02898	10.0
79.05494	20.7
81.03424	35.7
81.07054	35.3
83.04982	7.7
83.08630	5.8
84.04523	3.3
85.02422	6.8
85.02904	100.0
86.09704	6.2
87.00831	33.4
91.05445	27.4
93.07041	38.2
95.04948	6.6
95.08595	30.1
95.48752	3.9
96.70784	3.5
97.02888	35.6
97.06527	13.9
98.97559	7.6
99.04440	14.5
99.08092	4.3
101.07848	3.6
105.01865	28.5
105.07025	56.3
107.04869	4.8
107.08583	30.1
108.08174	4.5
109.02887	31.5
109.06525	9.0
109.10133	14.4
111.08090	4.5
115.03925	3.6
116.98635	4.7
117.07001	14.4
119.08579	49.2
120.08105	7.5
121.06503	7.0
121.10151	20.7
122.06000	4.7
123.08068	5.9
125.09627	4.6
127.03917	60.4
128.06206	4.9
129.01852	4.9
129.07033	7.7
131.08578	38.2
132.52298	3.9
133.10127	32.8
134.99675	5.0
135.11652	5.8
136.07571	13.3
137.05989	4.4
142.07788	11.7
143.08540	25.6
144.09256	5.4
145.02852	3.8
145.04974	19.7
145.10118	20.6
146.99672	6.3
147.11668	41.2
147.67107	3.8
149.09666	4.7
157.10112	30.5
159.02914	16.0
159.10431	5.7
159.11699	66.6
161.09583	11.2
161.13255	23.7
163.03880	10.2
163.11226	7.4
171.11699	8.6
172.03981	4.4
173.13263	26.1
175.14845	11.0
177.00746	5.6
177.05484	5.2
177.12703	6.8
179.10622	3.8
179.14334	5.2
187.14828	12.2
189.16356	20.0
191.14336	7.1
193.04985	7.0
199.14827	44.2
199.18199	3.5
204.06535	13.1
205.15886	13.9
209.15277	8.8
213.03844	5.5
217.15868	62.9
218.39941	4.6
219.01802	7.3
231.05070	10.3
235.16896	21.0
237.02798	9.7
243.11385	7.1
279.03790	8.8
283.06198	7.7
300.64246	4.0
307.10648	5.2
357.10114	4.2
360.10300	6.3
419.13434	52.0
419.63629	15.5
430.78598	4.0
457.14279	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	517.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
55.01848	1.0
55.05511	13.7
57.03440	4.5
57.07075	1.4
60.22009	1.1
65.03939	1.7
67.05165	1.8
67.05506	25.7
67.60549	0.9
69.07070	12.4
69.26373	6.9
69.26799	3.3
79.05495	19.7
81.06574	1.7
81.07058	32.0
83.04978	1.1
83.08621	8.7
83.77433	0.9
85.06548	1.4
91.05478	16.7
93.07050	25.1
93.21053	1.0
95.04969	2.4
95.08606	25.4
97.06541	2.7
97.10191	4.5
99.08128	1.2
101.89180	1.0
103.79424	1.0
105.06373	1.6
105.07033	19.8
107.08593	17.0
109.06495	1.4
109.10154	11.1
111.08080	1.8
117.07014	6.3
118.64166	0.9
119.08588	24.0
119.09441	1.5
120.53061	1.2
121.10149	14.4
123.08067	2.3
123.11715	3.7
129.07001	3.5
131.08578	14.3
133.10146	16.7
135.08087	1.1
135.11690	9.3
137.09615	1.1
142.07848	1.1
143.08559	6.7
145.10130	12.8
147.11684	9.4
149.13235	4.5
155.08563	2.2
157.10141	6.2
159.11696	11.8
161.13280	8.8
163.14844	2.7
169.10172	3.0
171.11707	4.6
173.13252	8.9
175.14845	4.2
176.25439	0.8
183.11734	2.5
185.13289	5.2
187.14851	3.5
189.16418	1.1
195.11661	0.9
199.14868	2.4
201.16348	2.4
203.17949	1.1
205.54926	1.0
211.14883	1.7
213.14771	1.2
213.16507	2.0
225.16579	1.4
227.18097	1.6
231.17413	1.2
233.95609	1.1
241.18025	3.1
245.19046	1.2
254.23384	0.9
259.20657	3.0
273.22211	1.1
277.21619	1.5
287.23749	2.2
299.23764	1.6
301.25366	1.4
313.25385	1.9
333.24368	1.1
391.28839	1.5
405.30051	1.5
407.28351	1.3
407.33228	4.8
425.34241	13.3
443.35199	5.9
461.36182	1.1
481.36575	1.3
499.37909	16.9
517.38928	100.0
518.39258	3.9
522.61890	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13655	0.4
52.18725	0.4
65.03946	0.7
69.03413	1.1
69.68613	2.2
69.69019	1.0
70.06581	1.0
72.08160	0.5
81.03391	0.7
84.04512	0.6
84.08128	0.9
85.02893	1.1
86.09695	1.2
89.03918	1.1
91.05460	6.9
97.02892	0.4
97.08349	0.5
98.21441	1.0
98.92027	0.5
100.03978	0.7
104.55980	0.5
111.66071	0.4
117.03363	1.0
119.04935	19.2
135.04388	1.7
145.02873	0.7
147.04398	100.0
148.04738	1.4
155.72543	0.5
161.01247	0.5
161.06067	0.5
163.03911	9.5
164.04239	3.5
164.05461	0.8
187.42001	0.5
209.04541	0.5
309.09729	0.7
518.18402	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3889
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
52.75636	0.6
53.03945	1.9
55.01868	1.2
55.05262	1.0
55.05514	14.7
57.03438	5.1
57.07067	3.0
65.03944	1.4
67.05508	32.8
69.07069	13.8
71.04982	2.4
71.08653	0.7
73.06565	0.8
79.05498	25.3
81.07058	37.2
83.04977	1.5
83.08617	8.9
85.06552	2.3
91.05482	20.7
93.07047	33.2
95.04976	1.6
95.08612	29.9
95.09226	1.6
97.06521	3.2
97.10152	4.6
99.08093	0.8
101.86634	0.6
105.07034	24.5
107.08595	20.6
107.09290	1.3
109.06519	1.6
109.10158	13.5
110.10409	0.6
111.08096	1.8
117.07016	8.8
119.08587	23.7
121.10152	15.6
123.08071	1.1
123.11733	4.1
125.09650	1.0
129.06981	3.8
131.08568	18.3
133.10139	17.3
135.08092	1.1
135.11703	9.3
137.09604	1.1
139.11177	0.9
141.06987	1.2
143.08565	6.0
145.10124	17.7
146.23631	0.9
147.11694	13.2
149.13266	5.9
155.08566	2.6
157.10133	6.2
159.11694	12.7
161.09651	1.1
161.13263	8.1
163.11278	0.9
163.14862	2.8
169.10155	2.1
171.11681	5.9
173.13266	11.1
175.14841	3.6
177.12889	0.8
177.16356	1.3
181.10115	0.9
183.11708	2.6
185.13239	5.6
187.14844	5.3
189.16432	3.0
191.14278	1.0
195.11766	1.2
197.13306	2.3
199.13234	1.2
199.14841	3.7
201.16373	2.3
203.18098	0.9
211.14955	1.1
213.16464	1.8
215.18008	0.8
221.15353	0.7
225.16533	1.4
227.16293	0.9
229.19543	1.0
231.17572	0.8
241.18025	2.5
245.19011	1.4
249.18596	1.0
257.19159	0.8
259.20639	3.9
261.18564	0.7
273.22116	1.1
275.20135	1.1
277.21811	1.0
285.22156	1.8
287.23788	3.0
288.00998	0.8
293.20871	1.0
299.23779	2.0
301.25195	1.1
313.25430	2.2
315.23294	1.4
317.24771	1.3
319.22897	0.9
319.26471	0.8
325.25482	0.9
327.26910	1.9
333.24228	1.3
337.24802	0.7
343.26254	0.8
391.28497	2.4
405.30307	2.6
407.33060	6.5
415.28616	0.8
425.34192	14.3
443.35361	7.9
447.31293	0.8
481.36566	0.8
499.37820	21.5
500.38852	1.4
517.38885	100.0
518.39435	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	517.3891
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
51.37761	0.5
53.03937	1.2
55.01870	0.9
55.05265	0.5
55.05514	9.4
57.03443	3.2
57.07056	1.4
64.82912	0.4
65.03946	0.6
67.05505	21.8
69.06718	0.7
69.07068	9.8
69.36566	3.4
71.05009	0.8
78.52016	0.4
79.05494	15.3
79.32033	0.4
81.07059	24.9
83.04975	1.2
83.08620	5.0
85.06524	0.9
91.05482	12.1
93.07046	21.0
95.04997	2.3
95.08611	18.5
95.09238	0.7
97.06561	2.1
97.10181	2.6
99.08117	0.6
105.07034	15.7
107.08602	14.3
108.08776	0.4
109.06504	0.7
109.10157	7.6
111.08088	1.0
117.07010	4.9
119.08582	15.1
121.10143	11.0
122.10449	0.5
123.08071	0.6
123.11740	2.4
125.09621	0.8
129.06979	2.3
131.08568	11.5
133.10139	12.1
135.11694	6.6
137.09621	0.8
137.13255	0.8
141.07033	0.6
142.07750	0.6
143.08548	3.4
145.10123	11.9
147.11696	8.5
149.09659	0.7
149.13245	3.8
155.08580	1.2
157.10110	3.6
159.11684	7.6
161.09703	0.6
161.13254	5.4
163.14850	2.0
167.10587	0.5
169.10158	1.7
171.11696	4.3
173.13269	6.5
175.14828	2.5
177.12773	0.5
177.16408	1.2
181.38966	0.4
183.11736	1.7
185.13176	2.7
187.14824	3.0
189.16412	1.1
191.14427	0.5
197.13342	1.5
199.14925	2.1
201.16443	1.5
203.17960	0.5
211.14810	1.1
213.14688	0.7
213.16473	1.5
215.17934	1.3
217.16042	0.5
219.17314	0.6
225.16396	0.6
231.17485	0.6
241.18021	1.9
241.20042	0.8
245.19124	0.8
253.17967	0.6
259.20602	2.8
261.22214	0.6
271.20718	0.6
273.22040	0.6
285.22247	0.9
287.23727	1.0
291.23297	0.8
293.21112	0.8
299.23807	1.1
301.25259	0.6
313.25269	1.4
315.23340	0.6
315.26694	0.5
316.90900	0.5
317.24707	0.7
319.26218	0.6
325.25418	0.5
327.26910	0.7
331.26260	0.7
333.24255	1.7
335.25818	0.9
341.24689	0.5
343.26141	0.6
351.26797	0.5
377.91092	0.5
401.74478	0.5
405.30191	1.0
407.33087	2.4
419.31393	1.0
425.34143	8.1
429.30295	0.6
443.35242	4.9
447.31253	0.7
461.36411	0.6
463.35327	0.5
481.37137	0.8
499.37851	12.3
517.38129	100.0
518.38464	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	517.3885
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03933	1.1
55.05297	1.2
55.05511	13.3
57.03430	4.6
57.07070	2.7
58.26360	0.9
58.57174	1.0
65.03905	1.5
66.15875	1.2
67.05498	29.0
69.07066	14.2
70.89737	3.0
70.90139	2.2
71.04984	2.0
79.05054	1.4
79.05493	20.3
81.07051	31.2
83.04984	1.9
83.08622	8.2
83.43140	1.0
85.06505	1.0
85.20888	1.0
91.05476	17.9
93.07036	28.7
95.04987	2.1
95.08602	27.0
97.06530	2.0
97.10170	2.9
99.08118	1.4
105.07030	21.7
107.08590	18.3
109.10144	13.5
110.60664	1.0
111.08112	1.8
117.07008	7.5
119.08573	21.4
121.10133	15.9
123.08117	1.2
123.11712	3.4
125.09641	1.7
129.07014	3.7
131.08569	14.4
133.10129	17.4
135.11671	8.4
137.09682	1.7
137.13246	1.8
143.08539	5.0
145.10127	16.3
147.11678	12.6
149.13246	6.7
155.08591	1.4
157.10158	4.7
159.11694	13.7
161.13246	5.8
163.11147	1.2
163.14828	3.4
165.66876	1.3
169.10168	2.5
171.11676	7.4
173.13264	11.2
175.14819	4.3
183.11737	3.2
185.13290	4.3
187.14844	4.8
189.16425	1.8
197.13374	1.7
199.14821	4.0
201.16338	1.9
213.14619	1.2
213.16466	2.2
215.17921	1.4
241.17773	2.5
241.19901	1.4
259.20609	3.5
261.22083	1.3
275.19794	1.1
285.22180	1.9
287.23788	1.6
299.23740	1.7
301.25134	1.9
313.25018	2.6
317.25165	1.2
327.26898	1.4
331.26395	1.2
333.24365	1.6
345.28073	1.1
347.25699	1.2
405.30096	2.1
407.33221	3.8
419.32004	2.1
425.34055	16.3
425.39404	1.6
443.35217	8.5
443.62283	1.0
481.36710	1.9
499.37872	20.0
517.38794	100.0
518.39417	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3886
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
52.22123	0.4
52.80217	0.5
53.03943	1.9
55.01859	1.2
55.05509	18.2
57.03433	5.0
57.07063	2.2
57.52926	0.6
59.04955	0.5
59.64485	0.5
65.03938	2.4
67.05501	38.2
69.03387	0.6
69.07066	17.3
71.04977	2.2
71.08632	0.7
71.60685	1.0
73.06552	0.6
77.03936	0.9
79.05488	30.1
81.03426	0.7
81.07052	47.5
83.04974	2.2
83.08614	9.6
85.06544	2.6
91.05477	24.0
91.05902	0.5
91.06060	0.7
93.07038	34.9
95.04964	4.0
95.08600	38.6
97.06514	4.5
97.10159	4.6
99.08087	1.3
105.07027	28.0
107.08591	23.5
109.06529	2.2
109.09444	1.1
109.10152	15.9
110.88707	0.5
111.08091	2.4
114.55471	0.6
116.06237	0.7
117.07015	8.1
119.08575	27.7
121.10136	17.5
123.08075	2.5
123.11676	5.2
125.09622	1.1
128.06294	0.7
129.07010	3.8
131.08563	19.2
133.10124	20.4
135.11688	9.7
137.09612	1.4
137.13254	1.3
139.11116	0.9
141.06989	1.3
143.08551	5.2
145.10120	15.8
147.11684	13.4
149.09593	1.0
149.13251	6.6
151.14795	0.7
155.08572	2.5
157.10109	6.1
158.10925	0.9
159.11682	12.7
161.13245	10.4
163.11203	1.2
163.14806	2.8
167.14348	0.7
169.10101	3.1
171.11636	5.9
173.13248	8.8
175.14842	4.3
177.12671	0.9
177.16336	0.9
179.14301	2.1
183.11656	3.0
185.13205	4.2
187.14795	4.9
189.16380	2.1
191.17818	0.6
197.13243	2.0
199.13254	0.7
199.14854	3.4
201.16422	2.3
203.17902	0.9
205.15874	1.2
211.14934	1.7
213.16406	2.5
213.52399	0.6
215.17958	1.3
217.19476	0.7
219.17451	1.5
225.16414	1.4
227.16200	1.1
227.18141	0.8
231.17442	1.0
233.19022	0.9
235.16801	0.9
237.16341	0.8
239.16325	1.2
241.17946	2.3
241.19864	1.3
242.23836	0.6
245.19048	1.4
245.22659	1.0
247.20522	1.1
253.17993	2.1
257.19012	1.0
259.20523	4.3
261.19034	0.6
261.22018	1.3
263.20038	0.8
263.23694	0.7
271.20538	1.1
273.19131	0.5
273.22159	2.0
275.20276	0.7
277.21719	0.7
285.22076	1.2
287.23792	2.3
291.23318	1.0
297.22009	0.9
299.23703	2.4
301.21838	0.7
301.25293	1.5
303.23230	1.2
305.24786	1.1
311.23801	0.7
313.25272	2.1
315.23334	0.9
315.26984	1.2
317.24744	1.2
321.24231	1.3
326.83487	0.8
327.23270	0.7
327.26685	1.4
331.26385	1.3
333.24307	1.7
343.26212	0.8
347.25653	0.7
351.27051	0.7
361.27515	1.3
373.27618	0.6
391.28445	1.2
405.30109	2.0
407.28104	1.1
407.33157	4.5
425.34106	13.4
441.33197	0.8
443.35327	6.0
447.31134	1.0
448.11328	0.7
461.36728	1.2
481.36609	1.2
499.37830	17.8
517.38861	100.0
518.39465	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	517.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.2
53.59891	2.9
55.05510	23.6
56.89348	2.7
57.03423	10.6
57.07063	14.4
61.02906	2.9
65.35626	2.7
66.42383	3.2
67.05501	91.9
68.17246	2.7
68.67852	2.9
69.03423	5.6
69.06757	3.2
69.07069	31.4
70.84787	5.6
70.85162	5.1
71.08627	7.3
73.02907	2.8
79.05489	31.7
80.36987	2.6
81.03378	4.5
81.07054	100.0
82.13951	3.1
83.04984	8.0
83.08611	25.3
83.80709	2.8
85.02898	6.4
85.06536	3.9
86.09709	2.8
91.05473	23.4
93.07047	39.0
95.04962	5.6
95.08601	83.3
97.02909	6.1
97.06518	9.5
97.10165	14.4
99.08076	4.4
104.10712	18.3
105.07040	17.6
106.76682	3.0
107.08606	23.8
109.10142	44.3
111.04345	2.7
111.11721	6.3
117.07004	4.0
119.08553	18.9
121.10139	25.1
123.11712	21.9
125.09631	3.2
131.08549	7.0
133.10118	23.9
135.11671	13.2
137.13251	9.4
141.12794	3.5
145.10132	3.9
147.11652	10.6
149.13237	12.6
151.11160	6.5
151.14822	10.1
161.13205	17.3
163.14798	7.9
165.12758	3.9
165.16354	6.1
175.14819	13.5
179.17972	5.9
184.07230	4.0
189.16277	4.5
203.17920	3.2
245.22620	51.8
263.23706	51.6
263.26276	5.5
321.22626	3.5
337.27304	55.1
355.28467	3.6
371.25601	4.1
459.24713	7.3
463.30429	3.4
499.32913	3.3
517.37726	3.6
518.32306	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	517.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61007	0.6
55.05499	1.0
60.12494	0.6
67.05502	1.5
71.60197	1.1
74.95467	0.5
79.05495	0.9
81.07054	1.7
83.04925	0.6
83.08588	0.7
84.60184	0.6
91.05484	1.3
93.07018	0.9
95.08556	0.9
95.09523	0.6
105.07052	1.0
107.08590	0.7
113.00005	0.8
119.08578	0.9
161.44740	0.6
166.19539	0.5
226.15916	0.5
262.73703	0.6
472.09872	0.7
517.37152	100.0
518.37787	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01867	0.8
55.05510	13.6
57.03434	3.9
57.07058	1.9
65.03938	1.5
67.05502	25.3
67.57637	0.8
69.07065	11.4
69.46077	1.9
69.46490	4.6
71.04975	2.1
79.05492	17.2
81.07054	27.7
83.04992	1.3
83.08607	7.2
85.06534	1.4
91.05473	15.1
93.07042	23.9
95.04980	2.8
95.08602	24.9
97.06551	2.4
97.10162	2.3
98.09555	0.8
99.08092	1.4
105.07029	20.5
107.08592	20.1
109.06467	1.1
109.10151	9.6
111.08086	1.0
111.90278	0.7
117.07014	6.2
119.08572	20.4
121.10143	14.2
123.08028	1.1
123.11719	3.6
123.53145	0.7
125.09644	1.2
128.06250	1.0
129.07025	3.8
131.08562	15.1
133.10123	16.1
135.11705	7.8
137.09647	1.5
143.08574	3.9
145.10120	13.0
147.11684	10.9
149.09680	1.1
149.13261	5.7
155.08543	1.5
157.10121	5.9
158.40413	0.7
159.11699	9.1
161.13229	6.1
163.14812	2.3
169.10095	2.9
171.11679	5.5
173.13255	6.9
175.14812	3.9
177.16406	1.1
183.11736	1.7
185.13210	4.9
187.14833	4.9
189.12784	0.9
195.11790	0.9
197.13271	2.2
199.14838	2.7
201.16454	3.1
203.17932	0.9
211.14809	2.0
213.16428	2.4
219.17581	1.4
225.16428	1.4
233.19046	1.0
241.17711	3.5
257.19040	0.9
259.20624	3.0
271.20508	1.3
287.23773	1.9
299.23755	2.0
301.25146	1.2
303.23386	0.8
307.22427	0.9
307.42691	0.8
313.25272	2.0
315.23279	1.3
327.26776	1.8
329.24515	0.9
331.26379	1.0
333.24374	1.7
335.25858	1.0
347.26154	0.8
355.26163	0.9
367.19901	0.8
391.28302	1.4
401.67664	0.9
405.29996	1.9
407.33200	2.6
419.31943	0.9
425.34125	10.2
438.58884	0.9
443.35300	4.6
447.31567	1.5
461.36459	1.1
475.34750	0.8
499.37830	18.5
517.38690	100.0
518.39014	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	517.337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16654	3.7
55.05512	23.6
57.03434	12.4
57.07073	11.4
59.08614	3.9
61.02939	6.2
67.05504	96.3
69.03426	9.8
69.07073	38.1
69.77428	25.6
71.01350	5.1
73.02911	5.0
79.05495	34.0
81.03419	8.0
81.07054	100.0
82.95931	4.4
83.08630	23.1
85.02897	10.8
85.06545	4.8
85.10225	4.1
91.05477	30.8
93.07046	32.8
95.04990	10.1
95.08610	79.6
97.02889	11.2
97.06537	11.7
97.10170	12.5
99.08102	5.5
105.07032	21.0
105.62043	4.1
106.67706	4.1
107.04956	4.7
107.08575	25.0
109.06519	6.9
109.10162	31.2
113.00002	23.4
115.37333	4.3
117.07008	8.7
117.83222	4.4
119.08576	27.0
121.10152	23.3
123.08066	6.6
123.11719	19.0
131.08533	9.5
133.10120	14.7
135.08078	4.5
135.11728	14.0
137.09586	4.6
137.13200	4.9
141.12729	4.8
145.10153	8.5
147.11688	12.5
149.13290	11.1
151.14771	5.3
159.11700	4.4
161.13275	14.1
163.14777	6.8
165.12701	4.7
165.16524	5.2
175.14854	12.3
177.12759	4.0
179.14240	5.6
187.03654	5.8
189.16490	7.9
245.22591	24.3
261.22049	5.9
263.23654	36.9
331.26471	8.7
337.27350	37.0
359.17099	6.1
371.25977	4.6
389.26959	6.7
405.29996	12.3
499.32483	12.5
525.75098	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	517.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01272	0.1
55.05495	0.2
55.76286	0.1
57.03426	0.5
61.02937	0.2
68.99779	0.2
69.03412	0.2
69.87902	0.2
69.88319	0.4
70.06573	0.6
71.04642	0.2
71.04991	2.3
72.08144	0.3
75.04472	0.3
81.03407	0.2
83.04959	0.4
84.04485	0.5
84.08127	0.4
85.02906	3.9
86.09695	0.5
87.04461	0.2
91.04040	0.1
91.05453	0.2
95.01344	0.5
95.04937	0.1
97.02890	0.3
97.61884	0.1
99.04401	0.2
102.05486	0.1
110.07166	0.3
111.04443	0.2
117.03378	0.2
122.99922	0.3
123.00780	3.4
127.03902	0.4
129.05450	0.9
129.10255	0.1
135.04387	0.3
141.01797	0.7
145.02831	0.3
147.06506	0.3
149.93649	0.1
153.01746	0.1
157.18633	0.1
163.03912	1.8
169.01364	0.2
177.05481	0.4
179.71967	0.1
191.03395	3.1
193.04973	1.3
208.03717	0.1
209.04440	100.0
210.04770	1.0
251.07114	0.2
355.10004	0.1
371.09576	0.6
377.01782	0.2
395.03094	0.2
517.19354	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62517	0.2
57.03421	0.4
70.77518	0.3
71.04996	2.3
73.02895	0.2
75.04469	0.3
85.02902	3.5
86.09695	0.2
97.02876	0.2
123.00783	2.6
129.05446	0.9
135.04427	0.2
141.01823	0.5
147.06464	0.3
159.16315	0.2
163.03888	1.6
163.71796	0.2
190.43687	0.2
191.03400	2.3
193.04968	0.5
209.04442	100.0
210.04761	1.1
213.31096	0.2
230.69048	0.2
236.63013	0.2
258.00360	0.2
263.64526	0.2
371.09561	0.8
371.93048	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2644
Annotation	Eriojaposide B
Peak:m/z	Relative Intensity
55.05512	2.1
58.10466	1.8
58.80268	1.7
69.03422	6.0
69.07048	3.9
70.05628	2.2
70.05936	8.4
70.06562	1.6
71.04983	5.2
81.07058	6.4
83.04998	2.6
85.02904	7.6
86.09699	12.8
87.10040	2.4
91.05487	3.0
93.07028	2.5
95.08612	2.6
99.08035	1.6
105.07030	3.4
106.42771	1.5
107.04940	2.5
107.08592	13.0
109.06517	4.6
109.10193	4.1
121.10136	12.0
122.07237	2.9
131.80261	1.6
133.10126	100.0
134.10381	1.9
135.08052	11.0
137.09607	53.3
147.11674	2.3
149.13255	14.0
154.03485	1.6
163.14873	1.9
173.13280	6.5
186.04558	1.8
188.42067	1.8
191.14305	55.6
209.15373	26.4
239.13948	1.7
257.14932	1.7
327.72290	1.7
328.18420	1.7
329.19022	2.8
510.85596	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02372	0.4
66.83561	0.4
69.03415	1.6
70.06559	0.8
71.59034	0.4
75.35740	0.4
79.05477	1.1
85.02900	1.1
89.03910	4.8
95.04944	0.5
97.02886	0.7
104.35749	0.4
107.04952	1.5
117.03367	5.1
127.03902	1.0
135.04401	15.1
140.06952	0.4
145.02834	10.2
145.03969	0.5
147.86383	0.5
151.39838	0.5
163.03891	100.0
164.04295	0.5
167.15392	0.4
181.04982	0.7
193.04941	2.2
209.04491	2.2
238.29498	0.4
279.06567	0.5
297.07489	0.5
307.08157	0.7
316.30392	0.5
325.09418	0.5
335.01721	0.5
363.30884	0.4
513.14893	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.3
55.01846	0.4
55.05494	0.4
56.05002	0.2
57.03431	1.4
60.04497	0.4
61.02910	0.5
62.91767	0.2
67.05488	0.3
69.03420	1.9
70.06593	2.3
71.04995	6.0
71.06912	0.3
71.59025	0.4
72.08133	1.1
73.02908	0.5
75.04443	0.3
79.05508	0.3
81.03387	1.0
81.07025	0.3
82.06581	0.4
83.04964	0.5
83.06080	0.4
84.04478	0.9
84.08150	1.6
85.02903	10.0
86.09707	3.2
87.04450	0.7
91.03937	0.3
91.05457	0.7
93.07078	0.4
95.04979	0.6
95.06073	0.4
97.02920	1.4
98.97546	0.2
99.04438	0.5
100.11242	0.6
101.07125	0.3
102.05532	0.4
107.04887	0.3
109.02852	0.6
110.07149	0.3
111.04408	0.3
115.08749	0.2
117.06593	0.3
119.04871	0.4
119.08500	0.3
120.08087	0.4
123.00756	1.3
123.04414	0.3
127.03893	1.1
129.05502	1.2
129.10202	0.9
131.04926	0.3
135.04453	0.4
136.07553	0.3
137.05989	0.4
141.01825	0.3
145.04912	0.7
147.04378	0.6
147.06450	0.3
163.03915	1.6
167.06987	0.3
175.03995	0.3
175.11081	0.3
177.05391	0.4
191.03380	1.9
193.04959	3.8
197.12846	0.3
201.05421	0.3
208.03668	19.4
209.04448	100.0
210.04762	1.0
214.15593	0.3
223.06013	41.1
224.06288	0.5
239.05537	1.1
245.49834	0.3
269.06561	0.9
283.05869	0.2
297.07635	0.4
325.06757	0.6
371.09744	9.3
385.11511	0.7
516.38336	0.5
517.22961	4.3
517.38824	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.4
55.01857	0.6
55.05497	1.0
56.05022	0.5
56.96554	0.6
57.03412	1.9
59.06115	0.5
60.04511	0.8
60.77657	0.5
61.02909	1.6
64.64126	0.4
67.05475	0.5
68.99767	0.7
69.03427	8.9
69.07037	0.6
69.63454	1.1
69.63869	2.0
70.06593	5.0
71.01328	0.6
71.04980	1.3
72.08158	2.2
73.02894	1.7
73.20737	0.4
74.12773	0.4
76.02226	0.6
79.05474	0.5
81.03413	6.2
81.07023	1.0
82.03017	0.4
83.04989	1.1
84.04479	1.3
84.08111	2.6
85.02425	0.7
85.02898	10.8
86.09703	6.1
86.32949	0.4
87.00815	1.8
87.04451	1.2
87.10017	0.5
91.05476	0.9
93.03322	0.4
93.07024	0.9
95.04964	0.9
95.08556	0.5
97.02872	4.2
98.97581	0.4
99.04460	2.2
101.02351	0.8
102.05519	0.6
103.03922	0.8
105.01853	1.0
105.07020	0.7
107.04906	0.8
109.02861	4.0
110.07172	0.7
116.01560	0.5
117.03313	0.5
119.04918	0.6
119.08552	0.6
120.08115	0.8
122.06017	1.2
127.03909	6.7
129.10205	1.4
131.04880	0.5
135.04453	0.6
136.07561	0.7
145.02805	1.0
145.04948	1.4
147.02872	0.5
147.04387	0.5
148.07619	0.6
149.02350	0.6
149.05902	0.5
159.02948	1.0
161.05920	0.5
162.03114	8.3
163.03906	1.9
171.11380	0.7
175.03914	0.5
177.05426	2.5
179.04825	0.6
181.04910	0.4
187.06013	0.6
190.02582	7.4
192.10269	1.0
193.01308	1.1
193.04962	1.1
195.02817	0.4
201.05524	0.7
207.06491	0.7
208.03656	10.6
209.04396	5.5
211.02504	1.1
213.03946	0.7
215.10341	0.6
223.06000	24.1
224.03151	1.1
231.05092	0.5
236.03113	6.6
237.03880	0.6
239.01837	14.9
239.05640	1.1
240.02119	0.5
251.05556	1.2
252.06276	5.8
254.04213	8.6
269.06543	100.0
270.06882	1.7
367.08182	0.9
388.85187	0.4
431.11789	16.3
470.85028	0.6
499.10760	1.6
517.11444	5.4
517.22980	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	515.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.5
55.05504	21.6
57.03430	9.8
57.07059	6.5
61.02920	5.3
67.05171	7.0
67.05503	87.1
69.03426	12.7
69.07047	18.5
71.04987	7.4
71.20350	5.0
71.30304	4.0
78.97594	4.2
79.05500	58.9
81.03411	12.1
81.07057	100.0
83.04974	6.8
83.08626	9.5
84.53014	4.4
85.02887	11.2
89.83043	4.7
91.03947	4.1
91.05467	42.7
93.07043	76.7
95.04955	11.1
95.08612	73.1
96.68161	4.0
97.02864	7.8
97.06522	8.7
97.39798	4.4
99.08086	7.7
105.07040	40.5
107.08590	45.8
107.58195	5.1
109.06506	12.6
109.10154	33.6
112.44917	3.9
117.07005	19.0
119.08589	36.1
121.10157	41.9
123.11700	19.4
127.03923	6.4
129.06996	8.4
131.08543	37.7
133.10138	27.3
135.08058	5.0
135.11720	27.8
143.08531	8.9
145.04948	6.7
145.10103	18.8
147.11674	12.9
149.13245	24.2
155.08519	4.8
157.10150	11.8
159.11710	19.0
161.13234	15.0
163.14825	8.0
165.58170	4.2
171.11752	7.0
173.13249	19.1
177.12767	5.7
183.54260	4.6
187.14801	13.8
215.70348	4.3
243.21103	19.2
261.22122	58.1
279.23242	5.3
280.18628	4.5
292.22717	4.3
301.21506	9.1
303.23212	9.2
324.11185	5.0
335.25702	9.0
345.24216	11.5
353.26904	16.5
358.16431	6.2
369.24188	12.0
387.25235	7.2
438.59341	4.6
497.31140	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	515.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10472	3.0
55.01865	8.0
55.05508	17.2
57.03428	4.3
57.07068	4.5
66.09615	2.7
67.05506	48.9
67.39026	3.0
69.07067	16.7
71.60841	3.7
78.67137	3.1
79.05494	38.4
81.07051	37.8
83.04961	9.4
83.08601	10.4
91.05475	23.6
93.07040	45.5
95.04980	7.4
95.08595	32.1
96.33682	3.2
97.06509	7.9
97.10175	5.9
105.07021	19.4
107.08584	24.6
109.10165	12.9
111.08051	4.3
117.07050	7.6
119.08561	13.3
121.10121	16.2
129.07018	5.4
131.08563	14.8
133.10126	10.2
135.11700	24.7
143.08557	9.6
145.10118	15.6
145.64702	3.1
147.11685	8.0
149.13200	6.4
153.12746	10.7
157.10153	9.8
159.11684	8.4
161.13283	5.1
169.10188	5.4
171.11766	5.4
173.13242	6.8
181.12292	11.3
183.11710	5.3
187.14804	5.0
261.22153	4.2
315.41089	2.8
345.40536	3.1
423.32507	10.7
497.35928	7.9
515.37280	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.3
55.01880	5.2
55.05518	23.4
57.03429	11.4
57.07055	4.7
58.77646	3.3
61.02916	8.4
67.05505	83.4
69.03423	17.2
69.07072	24.6
70.19843	17.1
71.01303	3.2
71.05019	4.1
79.05491	51.6
79.37010	3.1
81.03418	13.7
81.07056	100.0
83.04988	9.9
83.08614	8.8
85.02900	12.1
91.03964	3.7
91.05478	39.3
93.07043	64.3
95.04975	11.5
95.08051	4.9
95.08614	64.0
97.02899	11.5
97.06500	5.7
97.10129	5.7
99.08120	3.5
101.45929	3.2
103.03904	4.4
105.07032	30.5
107.04987	4.7
107.08586	39.0
109.02831	4.7
109.06512	13.2
109.10161	29.7
111.08072	4.7
113.09644	3.4
117.07015	16.9
119.08583	29.5
121.10130	30.3
123.08054	5.4
123.11675	16.2
123.76891	3.3
127.03927	5.0
129.06990	6.1
131.08568	27.3
133.10129	22.1
135.08023	5.9
135.11679	22.0
136.57045	3.5
137.09584	4.6
137.13269	6.0
141.06944	5.6
142.07813	3.9
143.08572	5.7
144.64546	3.7
145.10118	20.6
147.11674	11.6
147.12767	3.7
149.13219	19.0
157.10178	5.0
158.54807	3.6
159.11655	18.7
161.13254	12.4
163.14867	6.9
169.10179	4.7
171.11705	6.0
173.13217	18.1
175.14880	5.5
177.12779	6.3
187.14801	8.4
189.16284	3.7
193.26657	3.2
200.94748	3.7
201.16171	3.3
237.08298	3.5
243.21140	10.4
261.22116	50.3
279.23102	5.4
285.22095	5.2
301.21732	7.4
303.23221	12.1
327.23050	4.1
335.25742	22.5
345.24384	9.9
353.26865	15.8
369.24182	11.3
377.26779	3.9
387.25012	7.1
405.26224	5.0
419.28000	8.8
461.29245	6.6
497.30908	9.0
515.26050	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	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01870	4.0
55.05508	16.0
57.03440	10.6
57.03676	2.1
57.07073	4.9
57.34665	2.0
61.02923	4.0
65.03906	2.9
67.05504	87.5
69.03412	8.0
69.07061	17.5
69.13181	2.0
71.04975	7.5
71.10090	1.9
73.02932	4.0
79.05058	3.6
79.05492	50.0
81.03400	5.2
81.06577	4.9
81.07056	100.0
83.04990	4.4
83.08607	10.2
85.02892	8.9
85.06557	2.8
91.03935	3.7
91.04943	3.6
91.05476	35.0
93.06462	3.9
93.07042	62.0
95.04926	10.1
95.08606	75.2
97.02893	5.0
97.06529	7.3
97.10155	4.6
99.08081	6.6
105.07020	21.2
107.08591	46.2
109.06503	5.8
109.10164	38.0
111.08025	3.0
113.09613	2.4
117.07030	15.7
119.08586	23.5
121.06362	2.4
121.10157	36.3
123.08045	3.1
123.11705	19.9
129.06976	5.2
130.90041	2.1
131.08556	27.6
133.10138	17.6
135.08128	2.8
135.11703	31.5
137.09605	4.9
137.13251	5.4
139.11145	2.6
143.08533	3.3
145.06483	2.3
145.10117	21.7
147.08031	2.5
147.11702	15.9
149.13269	17.4
151.11147	3.0
151.14848	4.1
156.63075	1.9
157.10062	3.6
159.11722	16.3
161.09465	2.3
161.13251	18.0
163.14822	14.1
165.12784	3.9
173.13281	19.1
175.14789	6.4
177.12758	3.4
177.16414	4.3
179.14265	2.8
185.13184	2.7
187.14783	9.9
199.14859	3.5
201.16379	5.1
233.22707	2.9
243.21101	25.3
261.19360	4.7
261.22128	84.0
279.23233	5.0
301.21600	2.3
303.23132	5.3
335.25769	24.9
341.24960	3.0
345.24075	5.6
353.26968	18.6
353.33578	3.1
369.24252	4.3
387.25259	4.3
419.27881	3.8
461.28967	4.2
479.29974	4.1
497.30792	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	515.319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	0.9
67.05501	0.6
71.59755	0.7
79.05491	0.7
81.07047	0.7
91.05484	0.8
93.07019	0.6
95.08596	1.1
131.08585	0.7
149.91600	0.6
180.80022	0.5
514.51001	0.6
515.31873	100.0
516.31976	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.1
55.01888	5.4
55.05510	22.6
57.03418	6.7
57.07046	3.3
61.02907	3.5
65.03930	3.3
67.05504	88.0
69.03416	11.9
69.07077	17.2
70.44816	4.8
70.45215	6.0
71.04984	4.9
79.05492	61.8
81.03395	7.4
81.07058	100.0
83.04979	4.7
83.08606	10.0
85.02892	5.5
91.05482	34.3
93.06470	5.2
93.07042	71.4
95.04958	8.5
95.08605	72.0
97.02905	5.7
97.06526	5.4
97.10160	4.2
99.08099	3.6
100.56805	2.7
105.07030	31.9
107.08600	39.0
109.06527	6.0
109.10160	33.8
111.08102	3.8
117.07001	16.7
119.08585	27.9
121.06569	2.9
121.10145	35.8
123.11735	16.1
125.29977	2.6
126.43495	2.9
129.06987	4.2
131.08575	26.1
133.06497	4.0
133.10139	19.5
133.37923	3.2
135.11696	25.6
143.08551	3.5
145.10110	18.6
145.45741	2.9
147.11702	14.7
149.13251	21.2
151.11191	3.1
159.11696	21.8
161.13228	13.7
163.14815	17.5
171.11678	3.3
172.12337	2.8
173.13269	17.3
175.11252	3.2
175.14793	6.6
177.12675	3.0
177.16383	4.8
185.13174	2.8
187.14795	11.1
201.16454	3.6
233.22464	3.3
243.21014	17.7
261.22125	73.8
279.23239	3.2
301.21750	4.4
303.23123	4.2
327.23425	2.9
335.25861	9.2
345.24167	5.3
353.27051	14.6
369.24170	4.6
405.25940	4.9
409.01938	3.3
497.30850	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	515.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.7
60.76984	1.1
69.07078	2.5
70.06598	2.5
71.58385	1.9
82.06569	2.9
83.04968	3.8
86.09691	3.4
109.72718	1.1
112.02448	1.9
118.03508	1.2
122.09664	2.2
130.03491	8.7
140.00240	1.2
142.01759	3.2
142.03439	1.7
144.05074	6.6
146.03027	2.2
148.04465	2.9
157.04565	4.2
160.02803	8.1
160.04535	2.9
162.06094	4.7
167.03026	3.3
168.02779	2.8
171.06198	2.2
174.06134	1.6
175.05685	2.4
181.04567	2.4
183.02628	1.6
185.04092	3.4
188.07619	1.1
196.08232	2.4
198.09685	10.1
199.05617	3.2
200.07741	5.3
201.03561	4.1
207.09831	3.7
209.11311	2.2
211.05623	1.4
211.09283	1.4
212.07640	1.9
214.09254	2.6
216.10805	14.8
219.04515	2.2
221.07597	2.2
225.10826	14.7
226.06673	3.5
226.09027	1.5
227.05156	1.6
227.12405	3.4
232.08307	1.8
235.09399	2.3
237.07320	1.3
239.08755	1.8
243.11905	14.3
253.10309	9.4
254.06213	3.1
254.08687	2.1
255.08243	8.4
267.09451	3.8
271.11465	11.3
272.07242	4.0
272.09805	1.6
273.09293	6.4
280.11374	6.5
281.09811	3.4
282.12912	1.9
285.07440	1.5
289.10284	11.6
297.10312	1.7
298.12408	2.7
299.10855	6.0
305.14319	1.3
306.12939	2.6
307.11816	2.9
308.10934	11.1
319.11343	1.6
325.12790	2.6
326.11938	22.0
334.12769	1.6
344.12985	6.0
351.15182	12.2
352.13629	3.3
353.12146	1.9
369.16022	5.2
379.14587	16.7
380.13037	1.2
394.55954	1.3
397.15668	100.0
398.15155	3.7
415.16583	16.8
443.18222	1.5
461.18839	8.5
479.19809	18.8
497.20453	8.9
502.02722	1.3
507.88290	1.4
515.19965	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	6.5
69.03437	1.4
70.58901	3.1
82.99895	2.2
84.96033	1.1
89.41328	0.9
90.90663	1.1
97.02908	2.3
98.97587	9.2
100.99123	3.1
101.00884	3.1
110.97553	1.8
116.98627	5.5
119.00179	1.9
119.01913	17.1
119.68764	1.1
123.05496	1.1
127.02424	2.9
128.98630	4.9
131.01903	4.1
133.03450	2.1
134.99637	3.1
137.02957	3.7
140.98610	1.2
143.00180	1.2
143.01872	13.6
144.98093	1.0
145.03458	32.0
146.99640	6.5
149.02985	1.3
155.01894	10.3
157.03456	12.2
158.99658	3.8
161.01245	3.4
161.02954	21.4
162.99197	2.0
163.04591	5.3
165.00723	3.7
167.01915	4.3
169.03476	2.8
170.99698	5.4
171.05014	3.1
172.97578	2.8
173.02950	20.6
175.04495	5.9
177.00731	5.0
179.02000	3.3
182.99704	1.7
183.01765	1.8
185.02960	35.4
187.04529	6.2
189.00687	6.8
190.98712	6.8
191.03993	15.4
197.02942	13.2
199.04576	3.3
201.00690	9.6
203.03990	13.9
207.01811	1.4
208.99701	10.6
209.02948	2.3
209.04973	2.2
214.98619	2.7
215.04036	8.9
217.05501	1.2
219.01765	10.0
221.04991	2.5
227.00742	2.5
227.04022	7.8
229.05675	1.6
232.99741	7.0
233.05077	19.2
237.02740	5.6
243.01796	3.2
245.05066	100.0
246.05359	2.4
247.06682	1.1
251.00706	5.9
251.06200	5.4
257.05035	6.4
261.02759	9.6
263.00577	1.2
263.06143	15.6
275.06113	16.2
279.03876	6.1
286.07669	1.0
287.06082	1.5
291.03925	3.0
293.01941	2.3
293.07169	9.4
305.07169	17.1
317.01813	3.5
317.07089	4.6
321.04800	6.4
335.03137	5.9
335.08215	13.4
351.05984	1.4
353.03900	6.1
353.08612	1.8
364.24246	1.1
365.09299	27.2
366.09598	1.0
381.07199	2.8
383.10297	3.7
399.08063	2.3
497.07303	1.4
497.13757	5.5
515.08728	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	515.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	2.4
66.98557	0.9
69.47234	7.6
82.99865	1.9
98.97590	3.3
101.00867	7.3
116.98576	1.4
119.00184	1.1
119.01915	22.8
127.02396	5.4
128.98647	1.7
131.01894	6.1
133.03442	1.8
137.02930	2.4
141.50270	0.9
143.01871	17.2
143.02884	1.3
145.03448	39.5
146.03535	1.0
147.01346	1.2
149.02954	1.3
155.01880	14.3
157.03450	15.9
158.99706	1.2
161.02945	21.2
162.02962	1.3
163.04507	6.0
167.01874	8.0
169.03435	4.6
170.99597	1.4
171.05031	3.4
172.93764	1.5
173.02956	26.8
174.02983	0.9
175.04515	7.2
179.01953	3.1
181.03499	1.3
185.02943	41.4
187.04509	6.5
189.00731	1.2
190.98654	1.6
191.03999	18.2
196.15103	0.9
197.02943	12.7
199.04520	2.4
201.00688	2.6
203.03960	14.0
208.99730	2.0
209.02998	2.0
209.05022	2.1
211.04716	1.0
215.03978	10.2
219.01814	2.7
221.05101	1.9
227.03996	8.8
232.99721	1.8
233.05064	16.9
245.05054	100.0
246.05292	2.7
247.06685	3.0
251.00870	1.3
251.06084	4.6
257.05020	7.6
261.02948	1.8
263.06134	18.6
275.06091	18.9
279.03973	1.1
281.07336	0.9
287.06216	1.1
293.07205	8.1
305.07147	18.8
317.07095	4.2
335.08179	14.0
347.08234	1.5
353.03909	1.7
353.09073	1.4
365.09305	28.9
366.09341	1.2
383.10297	2.1
497.13354	6.3
515.07739	1.5
515.15277	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	514.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	11.3
57.03431	6.3
61.02924	3.8
67.05493	11.6
69.03417	9.2
69.07063	3.3
70.06590	23.1
71.04985	3.1
71.59293	4.5
72.08149	12.0
79.05492	15.6
80.05032	2.7
81.03416	100.0
81.07048	15.5
83.04973	6.1
83.08624	23.9
84.08129	10.7
85.02905	13.6
86.06075	5.0
86.09711	16.4
87.29160	2.9
89.73425	2.7
91.05486	23.8
93.07030	8.4
95.04969	24.8
95.08610	6.1
97.02869	5.2
97.06509	2.8
97.10140	2.8
98.20849	2.7
98.97619	4.4
105.07022	17.5
107.04963	8.2
107.08586	7.5
109.02887	3.5
109.10163	3.9
111.04452	3.5
111.08097	8.7
116.07108	2.9
119.08577	11.5
120.08096	12.0
121.10136	4.6
123.04433	4.5
129.07042	12.1
129.10252	3.7
131.08563	11.8
133.06494	3.7
133.10150	13.3
135.08029	3.1
137.05986	3.9
137.09631	5.4
147.04405	6.4
147.11684	6.0
149.09615	6.4
155.08427	2.9
157.10120	11.5
163.04024	3.2
166.08636	3.5
175.11191	13.7
177.05484	5.0
193.12231	80.4
197.01228	6.8
211.13322	9.0
267.15939	56.3
274.70557	2.6
285.16953	85.3
309.16983	11.5
333.20511	4.9
363.17783	3.6
419.13712	7.5
429.21103	4.9
496.25394	7.1
514.20178	3.9
515.19635	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	514.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.4
57.07074	19.0
57.77651	1.6
67.05492	1.7
67.20719	1.3
68.43727	1.2
69.07057	5.1
71.08629	35.3
71.60207	2.0
73.06556	7.1
81.07063	2.2
85.10175	22.0
87.04459	4.7
89.06026	100.0
101.74885	1.3
105.07072	1.7
107.07082	3.8
117.09133	5.7
127.14845	4.8
130.08655	2.9
133.08595	48.1
143.11716	1.4
171.17444	5.6
177.11197	15.9
215.20012	8.6
221.13934	2.7
230.72627	1.3
259.22528	6.8
283.17490	1.9
371.22751	4.8
447.67282	1.4
497.36655	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	514.2142
Annotation	Zeatin riboside-O-glucoside
Peak:m/z	Relative Intensity
50.57471	0.7
53.03945	1.3
55.01876	1.1
55.05511	1.1
56.05043	0.8
57.03444	1.5
61.02924	2.7
67.05506	2.7
69.03424	8.1
69.07074	1.1
70.06593	9.1
71.01374	1.1
71.04990	0.9
71.59204	0.9
72.08152	3.4
73.02911	1.6
76.96712	0.8
79.05490	1.4
81.03419	3.2
82.06571	1.1
83.04955	0.9
83.06120	0.9
84.04472	1.9
84.08138	3.5
85.02914	10.1
86.09732	4.2
87.04488	1.9
91.05482	1.6
93.07029	1.4
95.08583	0.9
97.02879	4.4
99.04461	1.6
100.03984	0.9
101.87506	0.9
102.05533	1.8
105.07038	0.9
107.04913	1.3
109.02871	1.8
109.06547	1.2
110.06036	1.2
110.07191	2.8
116.07062	1.4
119.03583	1.6
121.06492	2.0
127.03919	2.8
129.10226	2.0
135.06682	1.4
135.11671	1.0
136.06187	100.0
137.04652	2.1
141.10240	0.8
145.04912	1.7
145.10097	1.2
146.04523	1.3
148.06207	3.8
155.08247	1.0
159.06686	3.8
163.11111	1.0
163.53740	0.8
164.05527	1.3
173.08246	1.0
180.13805	1.9
185.08208	14.4
187.03882	0.9
187.08591	1.2
193.04794	1.2
202.10873	25.9
205.04987	1.1
220.11935	71.2
221.06000	1.7
249.05559	2.8
267.01666	1.2
277.04874	1.2
295.06000	4.1
323.05478	7.5
352.16571	5.4
382.17224	70.1
391.70068	1.0
514.21655	25.2
514.29059	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.1
53.03946	2.9
55.01872	1.5
55.05511	15.4
57.07075	7.6
58.07421	0.8
65.03945	2.6
65.49690	0.6
67.05505	44.5
67.66653	0.6
69.03435	0.8
69.07066	11.3
69.33188	1.2
69.33599	7.1
70.06594	1.5
71.05001	1.5
71.08640	2.9
77.03888	0.8
78.69036	0.8
79.05494	32.8
81.07056	54.5
83.04987	3.6
83.08617	10.4
85.06546	1.5
85.10175	1.4
88.07647	1.6
88.91379	0.8
89.06026	4.1
91.04881	1.7
91.05476	32.9
93.07040	36.2
95.04970	4.7
95.08605	47.8
97.06552	4.3
97.10159	3.7
98.21510	1.3
99.08102	2.6
103.05466	1.0
105.07029	27.9
107.08594	21.4
109.06538	1.6
109.10143	14.8
111.08085	3.2
113.09648	2.0
117.07011	7.4
119.08581	26.6
121.10137	19.1
123.08130	1.2
123.11723	3.4
125.09631	0.8
129.07019	3.7
131.08569	15.9
133.08614	2.6
133.10124	21.2
135.08142	0.7
135.11694	12.9
137.09633	1.4
141.07048	0.9
142.07826	0.9
143.08549	4.6
145.10129	14.5
147.11702	10.5
149.13251	7.1
155.08559	1.6
157.10124	4.8
159.11679	12.0
159.12866	1.1
161.09628	1.1
161.13254	10.4
161.84406	0.8
163.14839	2.9
169.10147	2.2
171.11688	5.5
173.13255	9.2
175.14813	4.4
177.11221	1.3
177.16370	1.2
179.14351	2.2
181.15961	0.7
183.11745	1.3
185.13332	3.2
187.13351	0.7
187.14705	3.6
189.16408	2.1
197.13342	2.1
199.14905	2.1
201.16446	2.4
203.18065	1.1
209.15460	0.8
211.14818	1.3
213.16391	1.5
215.18040	1.1
225.16374	1.0
229.19568	0.7
241.19682	1.2
243.21181	3.1
253.17935	1.4
255.21327	0.7
256.26321	3.3
257.26752	1.4
259.20621	1.5
261.22128	7.6
268.09277	0.8
273.22302	1.2
283.26382	3.0
284.26779	2.7
299.23761	1.1
317.24759	3.6
327.26788	0.9
335.25845	1.4
342.87576	0.9
421.34717	3.2
439.35724	8.2
457.36774	7.9
496.39371	0.9
512.50848	0.8
513.39514	100.0
513.50287	10.0
514.39764	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.1
55.01855	1.3
55.05505	12.9
57.07067	6.9
61.02917	3.2
65.03933	3.3
67.05503	41.7
68.11145	1.4
69.07072	13.9
69.87970	1.1
70.06575	4.3
71.04982	2.9
71.06920	1.3
71.08609	4.6
79.05488	28.1
81.07056	48.7
83.04979	2.3
83.08603	8.7
85.06525	1.6
85.10188	2.0
87.04494	1.4
88.07615	7.6
91.05476	31.1
93.07040	34.1
95.04948	5.1
95.08600	36.7
97.06512	4.7
97.10156	3.8
99.08083	2.8
102.09159	4.0
104.08186	1.3
105.07031	25.8
107.08578	17.1
109.10136	12.6
111.08047	1.6
117.07007	7.9
119.08568	24.9
121.10136	16.4
123.11653	3.9
129.07033	2.4
131.08566	13.9
133.10121	23.4
135.11656	11.3
141.55928	1.3
143.08533	3.4
145.10146	12.3
147.11664	9.9
149.09560	1.3
149.13255	6.8
155.08574	1.9
157.10097	2.5
159.11705	9.3
161.09532	1.5
161.13228	10.3
163.14828	3.6
171.11684	4.7
173.13310	8.0
175.14824	2.5
177.16429	1.4
179.14232	2.2
185.13240	3.6
187.14764	3.2
201.16432	1.3
229.67758	1.6
243.21098	2.0
253.17885	2.1
256.26349	9.1
257.26746	8.2
259.20483	1.4
261.22101	8.8
283.26367	11.3
284.26749	10.9
317.24780	3.7
333.15042	1.3
335.25903	2.4
367.28342	1.5
439.35495	6.2
457.36636	4.8
512.50232	5.0
513.39172	100.0
513.50610	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.7
55.01864	1.3
55.05511	14.0
57.07078	5.2
58.07392	1.1
65.03931	2.9
67.05503	46.8
69.03419	1.1
69.07072	13.3
69.29530	11.4
70.06577	2.7
71.04998	1.6
71.08613	2.7
74.57535	0.9
79.05493	33.0
81.07057	60.1
83.04965	2.8
83.08630	8.1
85.06513	1.0
85.10156	1.0
88.07623	4.2
89.07981	1.1
89.93751	0.9
91.05480	36.8
92.28482	1.0
93.06470	2.1
93.07043	40.6
95.04980	6.3
95.08606	43.4
97.02906	0.9
97.06539	4.6
97.10170	2.5
99.08086	1.9
102.09165	2.6
105.07033	28.5
107.08588	18.5
108.32394	0.9
109.06536	1.7
109.09467	1.1
109.10155	14.7
111.08089	2.2
113.09665	2.5
117.07026	6.5
119.08577	25.4
121.09315	1.2
121.10140	15.7
123.08013	1.4
123.11724	4.6
125.09628	1.2
129.07018	2.8
131.08568	13.8
133.10129	29.8
135.11703	15.2
141.06935	1.0
143.08533	3.4
144.09299	1.2
145.10130	15.5
147.11685	8.5
149.13252	6.3
155.08531	1.5
157.10101	3.6
159.11696	10.5
161.09654	2.5
161.13268	10.0
163.14792	2.7
169.10080	1.9
171.11659	4.4
173.13243	6.5
175.14824	3.9
177.12862	1.1
177.16270	1.3
179.14323	2.7
185.13251	1.9
187.14847	4.6
189.16425	2.1
197.13206	1.2
199.14844	2.2
213.16388	1.3
227.17827	1.2
243.21098	2.5
253.17897	2.1
256.26331	6.4
257.26678	6.2
261.22174	8.1
283.26358	6.2
284.26672	7.0
313.24951	0.9
317.24677	3.1
333.24072	1.6
335.25635	1.9
354.56454	1.0
395.02094	1.0
421.34729	2.9
439.35742	6.8
457.36594	6.6
512.50079	2.6
513.39191	100.0
513.50635	30.1
514.39673	2.9
526.68890	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.6
53.03935	2.6
55.01870	0.7
55.05257	1.2
55.05508	14.8
56.96559	0.6
57.07068	8.0
65.03928	2.3
67.05499	45.1
69.07062	13.6
70.06590	1.5
70.10519	0.6
70.31973	1.4
70.32337	2.3
71.04980	2.6
71.08623	4.5
72.08942	0.7
79.05486	33.9
81.07050	53.4
83.04974	2.3
83.08603	9.0
85.06532	1.8
85.10179	2.2
88.07632	1.8
89.06023	5.2
90.06356	1.1
91.05472	29.9
93.07034	34.7
95.04974	4.8
95.08598	42.3
97.06525	4.5
97.10174	3.1
98.42879	0.7
98.98447	0.9
99.08079	2.0
102.09165	0.9
105.07024	25.8
107.08578	19.0
107.09274	1.0
109.10142	13.4
111.08064	2.0
113.09674	1.8
117.07012	7.6
119.08568	26.8
121.10133	15.7
123.08065	1.0
123.11700	4.5
125.09642	1.4
129.06956	3.4
131.08568	13.5
133.08638	3.3
133.10117	21.2
134.08894	1.2
135.11688	13.1
137.13332	0.8
139.11252	0.9
141.06886	0.9
143.08507	3.6
144.09338	0.9
145.10100	13.5
147.11681	9.2
149.13242	6.9
155.08559	1.6
157.10152	4.0
159.11688	10.3
161.09651	0.8
161.13242	10.8
163.14859	3.3
169.10109	1.2
171.11655	3.6
173.13269	6.7
173.14639	1.0
175.14828	2.8
177.11278	0.8
177.12741	0.8
177.16370	1.1
178.11580	0.9
179.14323	2.4
183.11726	0.9
185.13240	3.3
187.11310	0.7
187.14789	4.2
189.16399	2.1
197.13283	1.3
199.14824	2.5
201.16345	1.4
203.17993	1.1
211.14848	1.4
213.16290	1.3
215.17921	1.3
227.17940	1.0
241.19621	1.2
243.21123	2.4
253.17912	1.8
256.26382	2.7
257.26773	2.4
259.20523	0.9
261.22128	8.3
283.26328	2.5
284.26645	2.6
311.23486	1.0
317.24567	3.5
327.20041	1.1
328.20230	0.8
331.26215	0.7
335.25775	1.6
421.34616	2.7
439.35684	8.3
457.36841	5.9
495.38452	0.9
496.39478	1.7
512.50226	1.3
513.39398	100.0
513.50397	12.1
514.39746	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	513.3057
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03944	3.3
55.05494	7.7
57.01508	2.4
57.03425	6.7
60.86152	2.8
61.02924	12.0
63.66541	2.2
67.05502	17.7
69.03433	3.8
69.07059	7.1
69.59539	2.1
70.72439	8.4
73.02904	4.3
77.49309	2.5
79.05490	25.4
81.07059	30.4
83.08588	3.2
85.02884	7.7
88.41624	3.0
91.03938	8.0
91.05474	18.0
93.07041	35.7
95.04939	3.7
95.08611	18.8
97.02872	6.1
97.10165	2.7
105.07034	24.5
107.08584	21.1
109.06515	2.6
109.10159	6.4
117.06990	5.9
119.08578	20.8
121.10126	18.5
121.70306	2.5
129.06998	4.2
131.04767	2.9
131.08548	10.8
133.10117	25.2
135.11716	19.0
137.05959	4.9
141.06897	2.5
143.08556	5.2
145.10103	13.8
147.11684	21.4
149.13261	10.9
157.10095	5.7
159.11667	10.5
161.13295	16.8
163.14758	4.7
171.11617	6.1
173.13303	6.3
175.14796	9.8
177.12758	2.9
184.62936	2.7
185.13319	6.0
213.16414	2.9
231.21057	5.1
241.19482	16.1
259.20584	41.4
277.21652	9.1
333.24213	8.0
349.23917	5.5
351.25269	100.0
441.26160	4.2
454.04697	2.6
477.28381	3.9
495.29108	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	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.0
55.05507	10.0
57.03419	5.2
61.02918	13.2
61.99613	2.2
67.05508	21.4
69.03418	4.8
69.07064	7.0
69.45399	12.1
69.45826	8.6
71.04971	2.8
79.05496	27.5
81.03436	2.6
81.07044	30.8
83.04961	2.9
83.08623	5.7
85.02903	9.3
91.03951	8.7
91.05483	26.2
93.07041	44.9
95.04967	5.7
95.08600	19.1
97.02879	8.7
97.06516	3.1
97.10181	4.7
98.37342	2.3
101.46040	2.3
105.07024	25.5
107.04942	5.4
107.08593	24.4
109.10161	9.7
111.01688	2.3
117.07012	7.3
119.08581	24.9
121.10149	23.8
123.11713	3.8
129.07025	5.8
131.08577	11.0
133.10124	25.1
135.11708	23.0
137.05965	18.2
137.09647	4.2
143.08559	4.3
145.06551	2.7
145.10135	12.8
147.11688	23.9
149.13232	16.4
157.10182	8.1
159.11707	10.4
161.06020	5.5
161.13235	16.9
163.14828	4.4
171.11705	9.3
173.06029	5.1
173.13225	5.6
175.14850	8.0
185.13235	6.7
199.14825	3.0
203.08545	2.9
231.07840	3.4
241.19479	13.8
259.20563	46.5
277.21603	6.4
291.10150	8.2
321.11212	5.2
323.12775	3.0
333.24252	6.5
349.23651	4.4
351.25293	100.0
441.26141	3.2
459.27277	4.5
477.28259	3.7
495.29465	5.4
513.19128	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	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	13.8
55.01871	9.8
55.05509	39.1
56.96561	8.9
57.03430	23.2
57.07079	6.6
61.02917	15.4
65.03922	5.3
67.05500	74.4
69.00721	4.6
69.03420	29.1
69.07066	38.7
70.06596	6.7
71.04997	6.2
71.08602	6.2
71.59969	6.6
73.02902	12.8
79.05489	65.6
81.03409	32.1
81.07053	100.0
83.04971	18.1
83.08626	22.9
85.02898	36.4
88.07619	4.7
91.03942	9.2
91.05482	56.1
93.07043	89.1
95.04981	13.4
95.08595	60.1
97.02892	30.2
97.06523	15.7
97.10163	6.2
99.04461	9.3
99.08077	9.7
101.02404	11.1
103.03937	5.9
105.07030	40.4
107.04978	7.2
107.08576	44.6
109.02892	7.9
109.06502	7.5
109.10168	26.1
111.08085	12.0
111.33430	5.4
117.07012	19.9
119.08560	37.9
121.10144	43.9
125.09609	7.3
127.03945	26.1
129.07002	9.7
131.08566	15.7
133.10121	44.1
135.11670	23.4
143.08553	7.8
145.04994	4.8
145.10126	15.3
147.11723	32.9
149.05989	21.1
149.09624	11.1
149.13243	18.0
157.10161	11.3
158.42511	5.5
159.11702	16.1
161.13272	21.9
163.11061	5.3
163.14777	7.0
171.11687	10.8
173.13264	14.0
175.11259	5.6
175.14685	5.7
179.14290	21.3
185.13260	11.0
200.20006	9.2
209.01068	4.7
231.21080	6.7
241.19618	9.4
259.20508	31.1
277.21576	55.1
297.07553	6.3
333.05862	5.4
333.24417	7.8
341.10101	14.6
351.25250	61.7
406.80664	5.0
461.87250	5.0
465.66211	5.8
514.27930	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	513.3033
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
55.05487	0.3
56.96536	0.3
57.07059	0.9
61.02922	0.4
61.89342	0.3
67.05490	0.6
69.03394	0.2
70.06576	0.4
70.49213	0.7
79.05492	0.8
81.03432	0.4
81.07047	0.4
83.08595	0.3
85.02885	0.3
88.07629	0.4
89.56770	0.2
90.02162	0.2
91.03895	0.2
93.07022	0.3
93.17011	0.3
94.35577	0.3
95.08613	0.6
96.61639	0.3
97.02853	0.4
98.98517	0.3
102.09200	0.3
121.10162	0.3
126.84085	0.2
139.82854	0.2
145.10149	0.3
185.04225	0.4
203.05293	1.2
238.20407	0.3
256.26349	1.0
257.26773	0.3
283.26379	1.1
308.70999	0.3
313.22253	0.9
341.24692	0.5
372.02682	0.3
512.50311	1.2
513.30322	100.0
513.50458	2.4
514.30792	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	513.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	19.6
61.60139	3.4
69.03436	3.4
69.07055	4.6
70.06597	17.3
71.59156	4.5
72.08152	6.6
74.24964	2.7
79.05492	3.0
81.03436	5.2
81.07057	5.0
84.04464	2.9
84.08154	5.6
84.45422	2.7
84.96027	5.6
85.02914	8.7
86.09695	8.9
91.05467	3.8
93.06982	6.0
95.04963	15.3
97.06548	3.9
98.97588	32.5
100.30076	2.9
105.07027	6.7
107.08590	4.0
110.97578	3.9
116.98624	23.5
117.88026	2.8
119.08565	4.1
128.98633	9.3
129.10231	4.2
129.18094	2.6
131.00177	3.4
133.10100	3.9
134.99670	12.8
136.07619	4.5
143.00117	3.0
146.99655	8.0
158.99663	6.6
159.03291	3.6
161.35892	3.4
167.07083	6.0
177.00714	7.9
191.29575	3.1
209.04416	3.5
213.08144	5.9
219.01794	6.6
237.02782	14.9
239.09555	12.2
247.10135	4.8
259.09940	3.1
263.09573	4.1
265.11002	9.4
281.10687	5.9
283.12173	14.4
289.11151	9.7
301.13196	8.0
307.12146	14.9
311.11707	5.5
325.13205	12.8
339.11954	3.6
343.14221	6.7
367.14124	5.2
385.15067	3.5
409.15454	4.4
427.16425	100.0
445.17505	16.3
469.17459	21.1
513.17480	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.9
56.96566	1.9
57.03425	1.2
57.07076	76.8
58.06590	1.3
61.02919	2.7
67.05495	3.8
69.03421	1.7
69.07068	10.0
70.06592	8.6
71.08631	58.1
71.33920	1.8
73.02877	2.2
73.06562	7.2
77.27657	1.0
81.07058	2.3
83.08600	4.7
85.02890	1.9
85.10183	38.6
87.04465	4.4
88.07638	13.5
89.06030	100.0
93.07024	1.8
95.08615	4.1
97.02919	2.1
97.10165	7.1
99.11737	9.7
102.09184	9.6
107.07073	4.7
107.08593	1.6
111.11693	7.3
113.13300	4.7
117.09130	4.3
119.16628	1.0
127.03931	1.3
130.08611	2.4
131.07089	1.7
133.08603	71.1
144.33049	1.1
159.94244	1.1
161.11745	1.2
164.90260	1.0
169.19556	1.7
177.11241	25.7
213.22273	1.8
221.13831	5.6
228.23276	3.0
239.14873	4.9
256.26343	32.1
257.24704	5.5
274.27463	3.0
283.17542	5.2
283.26285	37.1
295.12015	1.6
301.27243	5.8
311.29691	1.3
327.20117	18.8
349.16003	1.3
383.17624	1.8
400.17557	1.2
451.36441	2.0
472.63330	1.3
495.39001	19.1
512.42224	2.7
512.50360	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.2
55.01860	2.5
55.05505	6.4
56.05035	2.6
57.03426	4.8
60.04519	2.2
61.02909	6.0
65.03932	1.5
67.05494	5.3
69.03430	17.1
69.07060	7.4
70.06252	1.7
70.06592	24.0
70.33828	6.8
71.04986	3.3
72.08138	6.1
73.02903	3.9
74.06077	2.0
79.05502	10.2
80.04987	1.7
81.03412	9.4
81.07066	7.3
82.06589	1.5
83.04968	4.2
83.06089	2.1
84.04489	3.7
84.08156	11.1
85.02903	100.0
86.09704	31.7
87.04451	2.7
87.10036	5.2
91.03968	4.2
91.05476	15.9
93.07045	63.4
95.04961	7.6
95.08614	13.4
97.02888	26.9
97.06534	9.1
98.97596	1.7
99.04443	5.1
105.07020	5.9
107.04939	2.3
107.08592	81.6
109.02876	8.9
109.06480	3.1
109.10129	7.4
110.07166	10.6
116.07088	1.9
116.98591	2.2
119.04947	3.7
119.08555	2.9
120.08094	3.8
127.03916	27.6
129.10254	6.9
130.06544	1.7
133.10152	2.1
135.04408	1.6
135.11694	65.0
136.07576	10.1
137.05994	2.0
137.07898	3.5
145.04955	41.8
147.04407	2.5
147.11723	1.7
153.12749	25.6
157.07640	2.1
159.11749	2.1
163.06036	14.0
167.07097	2.2
171.13783	9.5
173.09561	1.5
187.11185	3.2
189.07962	2.0
201.12332	3.6
215.14203	2.0
233.14989	2.1
234.15179	1.8
320.04010	3.8
325.11252	2.1
347.59143	1.6
376.10175	1.5
512.13855	1.9
512.20966	1.6
513.19287	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.5
55.01869	5.0
55.05511	21.7
57.03425	7.5
61.02925	35.0
66.16048	2.9
67.05505	45.1
69.03422	21.0
69.07066	11.5
69.35538	30.1
71.04960	7.1
73.02914	14.8
79.05489	51.7
81.03419	18.3
81.07056	29.9
83.04982	15.5
83.08615	6.0
85.02900	30.6
91.03963	16.9
91.05480	51.4
93.07035	33.3
95.04953	9.4
95.08607	15.4
97.02897	23.8
97.06529	4.2
97.10176	6.3
98.21481	6.3
98.97572	4.8
99.04449	4.8
101.02361	11.1
103.05444	4.3
105.07025	49.2
107.04951	19.4
107.08590	32.6
109.02901	4.0
109.10134	16.8
111.08068	5.5
115.03957	3.0
116.98583	5.2
117.07019	16.4
118.83179	2.9
119.08574	34.5
121.06465	4.0
121.10135	15.4
121.61555	3.3
123.08092	3.2
127.03916	12.2
129.91193	3.2
131.04880	3.5
131.08566	23.5
133.10100	34.1
135.08047	4.2
135.11661	5.3
143.08580	5.4
145.05055	5.6
145.10135	18.9
146.99667	4.2
147.11682	20.9
149.09604	28.9
151.11124	3.2
157.10057	3.3
159.08153	3.8
159.11729	12.8
161.13275	7.5
163.41920	3.2
169.12256	4.9
171.11670	6.2
173.13216	9.1
183.06543	3.9
188.79222	4.0
189.00645	9.1
209.15416	6.9
229.19556	6.4
239.17812	7.4
247.20485	5.6
257.19006	11.3
275.20074	100.0
349.23730	40.1
451.07489	12.9
493.27744	5.7
500.28543	3.0
511.28622	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	511.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.9
57.07075	29.6
67.05499	1.4
69.07059	2.5
71.08629	30.4
71.59984	1.8
73.06554	6.5
76.24914	1.0
81.07035	1.6
83.08610	4.2
85.10182	27.8
87.04469	5.6
89.06030	100.0
93.07000	1.5
97.10187	1.8
99.11734	2.3
107.07040	5.7
117.07015	1.0
117.09154	6.3
130.08604	3.5
131.06989	1.0
131.08557	1.1
133.08600	41.9
135.10162	1.5
141.16377	3.6
162.78006	1.1
176.83662	1.0
177.11226	11.1
183.80925	1.0
185.18962	3.4
194.22012	1.0
194.84750	1.1
221.13870	1.3
224.26897	1.1
229.21617	2.7
239.14830	1.6
317.69226	1.1
366.16458	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.2
55.01860	2.5
55.05505	6.4
56.05035	2.6
57.03426	4.8
60.04519	2.2
61.02909	6.0
65.03932	1.5
67.05494	5.3
69.03430	17.1
69.07060	7.4
70.06252	1.7
70.06592	24.0
70.33828	6.8
71.04986	3.3
72.08138	6.1
73.02903	3.9
74.06077	2.0
79.05502	10.2
80.04987	1.7
81.03412	9.4
81.07066	7.3
82.06589	1.5
83.04968	4.2
83.06089	2.1
84.04489	3.7
84.08156	11.1
85.02903	100.0
86.09704	31.7
87.04451	2.7
87.10036	5.2
91.03968	4.2
91.05476	15.9
93.07045	63.4
95.04961	7.6
95.08614	13.4
97.02888	26.9
97.06534	9.1
98.97596	1.7
99.04443	5.1
105.07020	5.9
107.04939	2.3
107.08592	81.6
109.02876	8.9
109.06480	3.1
109.10129	7.4
110.07166	10.6
116.07088	1.9
116.98591	2.2
119.04947	3.7
119.08555	2.9
120.08094	3.8
127.03916	27.6
129.10254	6.9
130.06544	1.7
133.10152	2.1
135.04408	1.6
135.11694	65.0
136.07576	10.1
137.05994	2.0
137.07898	3.5
145.04955	41.8
147.04407	2.5
147.11723	1.7
153.12749	25.6
157.07640	2.1
159.11749	2.1
163.06036	14.0
167.07097	2.2
171.13783	9.5
173.09561	1.5
187.11185	3.2
189.07962	2.0
201.12332	3.6
215.14203	2.0
233.14989	2.1
234.15179	1.8
320.04010	3.8
325.11252	2.1
347.59143	1.6
376.10175	1.5
512.13855	1.9
512.20966	1.6
513.19287	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
55.01867	1.3
55.05516	5.8
57.03437	11.3
57.07057	1.1
59.19902	0.9
61.02925	17.2
62.78727	0.9
67.05507	12.8
69.03423	8.0
69.07075	3.6
71.04991	1.9
71.59962	1.0
73.02908	6.5
76.24117	1.1
79.05495	12.8
81.03430	6.5
81.07054	13.0
83.08601	2.8
85.02905	16.5
85.06522	2.6
85.99731	0.9
91.03958	6.4
91.05474	19.9
93.07044	15.0
95.04958	2.8
95.08604	11.9
97.02898	9.0
97.06534	1.2
97.10212	1.5
99.04472	5.5
101.02402	2.3
105.07038	15.0
107.04961	3.3
107.08601	9.6
109.02876	3.1
109.06498	3.2
109.10139	4.8
114.00992	0.9
117.07011	9.3
119.08600	11.0
121.06535	2.5
121.10124	5.1
123.08079	2.3
127.03907	4.3
129.06981	2.2
131.08575	10.2
133.10144	7.2
135.08035	2.0
135.11702	4.3
137.09703	1.0
143.08575	3.4
145.04977	1.2
145.10104	7.3
147.11638	5.4
149.09587	1.7
153.12766	2.1
157.10164	1.1
159.11780	5.0
161.06062	1.2
163.11185	0.9
173.13264	2.8
185.13266	2.1
201.16374	3.2
203.14360	4.0
209.15390	1.3
219.17441	100.0
239.17961	1.3
257.18939	2.5
275.20090	14.9
287.48743	1.0
349.23770	13.8
511.28857	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	4.3
66.38430	3.5
67.04240	6.5
67.05486	5.2
71.58356	5.1
73.55697	3.5
79.30299	3.0
82.06579	48.7
86.99128	2.8
112.02466	16.0
114.04012	5.2
125.90962	3.2
128.00214	4.2
130.03488	36.2
132.03221	7.2
140.05576	6.2
141.05084	6.5
142.03474	4.0
145.07703	3.7
147.09120	4.1
148.04570	6.9
157.04594	18.5
158.02992	7.1
158.04674	3.5
159.04272	4.1
159.06206	3.9
161.07689	5.0
167.03000	6.3
167.06685	4.2
168.05103	8.0
169.02757	4.0
170.02963	5.7
175.05693	7.9
175.07190	20.1
177.05363	3.9
178.07031	5.0
185.04063	7.7
186.06104	16.5
187.05656	8.8
193.08243	8.8
194.06584	6.8
195.06194	5.9
196.04527	7.1
196.08215	6.6
198.06233	4.0
203.06682	4.2
205.06468	4.3
205.08217	9.0
206.06683	4.8
213.03468	3.9
214.05623	5.4
221.07738	37.5
222.06105	5.3
223.07327	5.4
223.09219	24.5
234.05981	4.8
239.08833	27.3
241.06850	5.2
241.10367	6.2
248.08606	3.4
249.07158	7.1
251.05142	14.5
251.08871	5.5
259.09442	4.6
266.06204	6.4
267.08258	28.0
269.06213	6.9
274.10324	4.7
276.08240	10.3
277.06653	4.2
278.05182	4.9
285.09418	20.0
286.10138	4.1
294.09174	5.7
304.07635	4.7
312.06631	3.8
320.10904	9.5
322.08755	21.5
323.07468	4.4
324.08850	9.5
329.10889	4.4
330.13101	4.6
340.10419	6.7
347.12073	21.1
349.08661	10.2
349.11905	11.1
358.08792	3.5
375.11435	18.5
376.09848	11.9
377.11603	11.4
386.11804	20.5
393.12598	31.9
394.10846	43.6
395.12042	20.7
411.15015	14.0
412.12198	9.2
439.14349	15.2
457.15689	100.0
458.15503	6.1
475.16916	16.5
477.34946	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	511.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72255	1.7
56.96553	6.2
69.71521	4.1
69.71930	10.0
80.47021	1.8
82.06567	12.6
83.04984	11.1
85.82677	1.8
112.02462	7.3
115.02448	1.9
117.06699	1.8
118.03546	2.2
124.00700	2.5
130.03491	22.3
131.01930	2.0
136.07523	5.2
139.03496	3.8
140.00166	2.0
142.01772	15.1
142.03505	7.6
146.01167	2.2
148.04515	5.0
156.03297	2.5
156.05032	2.0
157.04576	44.2
158.01257	7.1
158.02856	1.5
158.04512	1.7
159.06143	2.3
160.02820	18.5
160.04381	9.5
166.04578	3.3
167.03018	15.2
167.04303	5.8
168.02660	5.2
168.04962	2.4
169.04597	2.7
172.02786	3.1
174.06128	4.0
175.05644	19.2
184.05704	4.2
185.03995	12.7
187.02028	14.5
187.05724	2.3
193.08223	1.9
194.06595	6.1
197.04167	2.8
203.03372	11.3
203.05104	4.0
204.01759	3.6
205.03056	11.8
205.08322	1.9
210.04355	3.7
210.07269	2.5
212.05154	36.1
212.07634	8.2
213.03560	6.2
214.01828	2.2
214.06792	3.5
215.05058	4.9
218.76015	1.7
221.04372	9.0
221.07777	5.8
223.09296	4.9
224.07733	2.9
228.05705	2.0
228.08232	6.5
230.06200	29.1
237.08353	2.5
238.06758	7.6
239.08815	8.5
240.04904	4.0
247.09183	1.8
249.07098	11.4
251.05107	6.1
258.05701	31.7
261.05692	1.9
265.07706	2.7
266.06287	5.4
267.06454	4.6
267.09448	14.6
268.07547	1.9
269.06110	4.7
276.06732	9.1
276.08234	6.2
283.08859	44.8
284.07190	5.3
285.07538	34.7
294.09232	9.3
301.07050	3.2
303.08597	5.1
304.07559	2.1
311.08273	18.8
320.10822	3.7
322.08771	16.3
329.09625	24.2
340.09827	7.6
347.11969	78.4
365.13120	8.0
375.11508	25.6
393.12534	100.0
394.12512	2.9
411.13181	23.8
412.10229	2.1
447.16809	3.7
457.16162	1.9
475.16595	15.8
481.92401	2.1
493.17206	8.9
511.16898	1.8
535.97870	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	19.7
66.57571	1.2
70.37077	3.0
70.37471	3.1
74.04311	1.4
82.06576	5.4
83.04993	5.9
83.97654	1.5
92.28497	1.4
97.99160	2.0
98.21429	1.2
105.79870	1.6
109.99193	3.6
112.02484	2.5
116.00233	2.2
124.00732	4.5
128.00186	5.1
130.03506	1.6
138.02281	2.6
140.00180	8.8
142.01753	40.2
146.01236	3.9
153.94217	1.3
154.01756	3.8
156.03308	6.0
157.02902	2.6
157.04570	4.7
158.01247	15.9
159.04424	3.2
160.02821	46.4
160.04254	2.4
167.02954	1.5
168.03275	1.8
172.02826	11.7
173.00020	1.2
174.04420	2.7
175.03996	1.7
175.05620	2.4
176.02295	3.9
177.05484	2.6
178.03903	5.0
185.02393	3.2
185.03973	2.4
186.00710	3.8
186.04439	1.9
187.02028	2.2
190.03873	3.8
203.03416	23.7
203.05165	2.4
204.01770	8.4
210.04361	8.8
212.05176	4.1
221.04324	20.6
222.02875	4.8
223.07481	1.8
228.05522	6.3
230.06265	2.3
239.07021	4.5
240.04771	1.6
258.05695	4.3
267.06479	17.9
269.06366	1.4
283.05948	2.7
283.08829	5.7
285.07553	100.0
285.99173	1.4
301.07037	7.7
303.08594	14.6
308.09134	2.9
319.08408	1.6
322.08688	2.3
329.07675	17.3
347.12241	6.2
375.11649	2.0
393.12537	10.0
411.11786	40.1
412.10446	4.9
418.29108	1.6
429.12906	4.2
475.16592	2.0
493.16034	12.2
511.17346	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	511.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06569	0.1
51.54233	0.1
53.03940	0.2
55.05498	0.3
56.96551	0.1
64.47797	0.1
64.92915	0.1
65.03934	0.3
67.01868	0.7
67.05491	0.3
68.27053	0.1
68.99776	0.5
69.03423	0.7
69.61809	0.7
70.06602	0.5
72.08137	0.1
75.12029	0.1
81.03410	0.6
83.04982	1.4
84.04559	0.1
84.08129	0.3
85.02903	0.9
86.09702	0.3
86.60038	0.1
87.04462	0.1
88.38976	0.1
91.01847	0.1
93.03398	0.2
95.04977	0.2
95.92917	0.1
97.02896	0.7
98.21494	0.1
98.97571	0.2
99.04459	0.1
104.04687	0.1
109.02847	0.5
110.07154	0.3
111.04448	1.1
115.03853	0.1
116.98527	0.1
120.08041	0.2
121.02855	1.4
125.05988	0.7
127.03892	0.7
129.10297	0.1
136.07497	0.1
137.06007	0.2
139.03900	1.9
144.33249	0.1
145.04929	0.3
147.04416	0.8
151.03865	0.5
153.01758	0.5
157.04874	0.6
158.99728	0.1
169.04959	0.4
169.10277	0.1
188.01518	0.1
193.04959	100.0
194.05281	0.6
243.05334	0.1
255.08604	0.3
265.07123	0.2
267.06488	0.1
283.08282	0.4
285.07462	0.2
301.09082	0.3
307.65442	0.1
313.07092	0.3
316.13477	0.1
319.03378	0.1
319.10233	0.2
331.08069	0.1
350.63101	0.1
378.15305	0.1
405.03162	0.1
493.13251	0.4
511.14294	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3545
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05500	1.0
56.05030	1.2
57.03435	0.9
57.06866	0.4
57.07072	3.7
58.06591	1.3
60.08159	17.6
67.05492	1.5
69.07056	0.8
70.56094	0.7
70.56493	1.0
71.07372	7.4
71.08612	2.5
73.51839	0.4
79.89152	0.3
81.07025	0.9
83.08612	0.8
85.10158	1.4
86.09699	52.7
88.75623	0.4
89.06017	0.4
95.08607	1.7
97.10175	0.5
97.33896	0.4
98.98463	4.1
104.10736	100.0
105.11057	0.6
109.10141	0.8
111.11713	0.4
117.23528	0.4
124.99994	27.3
143.01039	0.5
160.74654	0.5
163.01498	0.5
184.07326	96.1
187.97119	0.4
229.97441	0.4
239.23705	0.9
258.11044	0.9
313.27402	3.0
327.28955	1.6
492.34421	8.8
510.35507	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45219	5.0
55.05514	5.1
56.96560	4.7
57.07074	53.4
57.37294	4.4
62.80630	5.0
67.05492	15.0
69.03454	5.0
69.07056	9.9
71.08627	38.6
71.59934	7.7
81.07050	29.0
83.08635	13.9
85.02885	10.2
85.10179	25.5
86.70031	5.0
89.06028	6.5
91.94252	4.3
95.08600	38.9
97.10156	10.1
106.37373	4.7
109.10141	14.2
121.72712	4.2
123.11735	5.3
127.03907	9.7
144.56137	4.4
239.23666	46.5
257.24649	5.9
278.40427	5.1
309.30423	6.0
313.27371	100.0
331.28357	12.2
383.27771	5.1
401.29227	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	510.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44098	3.7
55.05503	5.7
57.07069	30.3
60.36809	4.2
64.71402	4.3
68.45499	4.2
69.07053	4.5
71.08630	39.1
78.22440	4.4
85.10190	15.0
89.06023	100.0
133.08607	49.1
133.64439	5.1
177.11214	16.1
180.61346	4.5
229.56258	4.8
283.17578	15.7
302.42606	4.8
493.40845	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	510.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20058	0.6
53.03935	1.8
53.60761	0.8
55.00990	0.7
55.01857	3.1
55.05507	5.7
55.19687	0.6
56.96572	1.0
57.03430	2.0
57.07066	2.4
61.02903	1.1
64.79295	0.7
66.51955	0.7
67.05484	2.9
69.03420	6.5
69.07063	14.0
69.29387	7.4
70.06574	1.3
71.04967	3.4
71.08625	4.8
71.54564	0.8
73.02890	4.6
75.21507	0.7
79.05475	2.0
81.03409	5.1
81.07056	16.4
83.04951	2.3
83.08609	4.4
84.63058	0.7
85.02898	24.4
85.06544	3.9
85.10171	1.8
87.00818	5.4
87.04427	0.7
91.05465	1.5
91.46934	0.7
93.07033	4.0
95.04973	1.0
95.08593	6.1
97.02883	5.3
97.06526	1.9
97.10146	1.2
98.20734	1.7
98.97582	1.3
99.04446	7.3
101.02380	8.7
105.01865	4.6
105.07013	6.0
107.08590	7.4
109.02881	4.1
109.06496	4.2
109.10155	2.1
111.04373	0.8
111.08064	1.6
113.06004	1.7
115.07542	0.9
117.01842	0.9
119.08624	4.6
119.09325	0.8
121.10128	8.3
123.08069	3.8
123.11697	25.3
124.12065	0.8
125.06013	1.0
127.03917	7.2
127.07544	6.8
135.11685	1.0
137.13243	1.1
141.09113	2.5
145.04965	2.3
147.11679	27.8
155.14337	6.1
159.02887	2.6
165.12738	15.6
183.13802	81.5
184.14180	0.8
201.14847	100.0
202.15147	1.5
204.93936	0.7
227.16429	1.8
231.04854	1.1
237.02789	1.8
289.05310	2.7
290.05609	2.0
466.24719	1.0
510.23816	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	510.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	4.6
55.05515	15.9
56.05018	4.5
56.96576	5.5
57.03432	9.1
57.07075	4.2
60.04517	6.7
61.02922	4.8
61.49460	2.9
62.06060	5.2
67.05501	13.8
69.03420	20.4
69.07056	9.2
70.06596	36.2
70.92642	6.8
70.93016	7.0
71.04990	7.2
72.08146	10.9
74.06068	8.8
79.05496	12.1
81.03429	20.0
81.07048	23.2
83.01344	3.8
83.04982	22.6
83.08605	13.2
84.04491	9.3
84.08145	23.8
84.96026	3.4
85.02901	43.1
85.06524	5.6
86.09707	32.4
87.00823	12.1
88.03990	4.7
91.05488	11.8
93.07043	14.9
95.04957	20.3
95.08600	12.1
96.65318	3.4
97.02909	17.1
97.06540	7.8
98.97591	6.0
99.04450	11.8
102.05596	4.0
105.01866	14.3
105.07026	18.2
107.04931	6.0
107.08570	19.7
109.02881	10.9
109.06533	25.9
109.10136	17.7
110.07151	12.0
111.04446	7.0
111.08102	4.3
112.77634	3.5
116.98620	9.2
117.06960	3.9
119.08589	8.0
120.08128	13.7
121.10137	23.1
123.08092	4.8
125.09613	4.0
127.03920	21.1
129.10268	7.9
131.08592	12.3
133.10143	31.0
134.99673	4.4
135.04425	5.5
135.08035	5.6
135.11668	7.6
136.07565	13.8
137.05992	5.9
139.11143	10.1
145.04962	9.9
147.11681	9.0
149.13295	9.9
151.07568	5.7
151.11159	14.5
153.09096	6.9
157.03476	3.1
158.10851	4.9
162.03633	3.5
163.03940	9.3
163.14963	4.4
167.07030	6.0
167.14308	8.5
173.13245	19.6
177.00587	3.9
177.05461	4.6
188.01671	10.7
190.03197	8.9
191.14317	32.0
193.04967	8.0
207.13763	3.4
209.15369	100.0
210.62201	3.2
216.01140	11.5
219.01863	3.1
231.05002	4.4
234.02191	8.9
237.12402	5.4
249.76468	3.6
273.03247	4.9
291.04172	4.4
309.07855	4.3
319.04007	18.3
332.00845	3.2
336.08548	23.2
510.12701	15.4
510.20032	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02113	1.2
54.63160	1.1
67.05501	3.5
69.29879	12.9
79.05462	1.2
81.03419	1.6
81.07055	2.5
85.06525	1.3
91.05482	1.7
93.07038	3.4
95.08600	2.5
96.05370	1.3
96.09103	1.3
105.07018	1.9
107.04901	1.4
107.08603	1.8
108.16985	1.1
109.10140	2.8
109.46834	1.2
119.01936	3.3
119.08551	2.0
123.11671	1.3
130.07724	1.3
135.11700	1.4
161.02989	1.7
173.03140	1.7
203.05359	2.0
220.68967	1.2
227.05177	1.9
243.04782	6.8
245.06345	7.1
261.18280	4.1
287.03705	60.5
289.05280	73.9
313.10233	1.2
447.23566	4.6
465.24719	8.0
477.68118	1.3
491.22498	100.0
509.23596	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	509.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.9
57.07074	61.3
60.24282	1.4
67.05486	5.8
69.07062	11.6
69.67743	11.0
71.08629	58.5
73.06517	3.7
79.05471	2.5
81.07058	5.2
83.08624	3.1
85.09660	2.1
85.10178	37.9
87.04457	2.6
89.06030	100.0
91.05476	1.7
95.08608	5.2
97.10168	4.4
98.20801	2.1
99.11711	4.5
107.07051	6.2
111.11723	4.2
113.13271	4.5
117.09126	4.4
119.08570	1.6
121.10150	3.3
125.13275	3.6
127.14801	2.1
130.08623	2.8
131.08582	2.1
133.08597	59.0
147.11710	2.0
177.11206	15.7
206.72916	1.6
225.22437	1.5
239.29282	1.5
327.20004	3.2
491.37158	1.9
509.37866	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
55.01852	3.8
55.05512	30.1
56.85746	2.9
57.03423	5.2
57.07078	44.2
63.39124	3.0
65.03921	3.8
67.05503	59.7
69.07073	29.3
70.78609	4.5
70.78941	5.3
71.04988	12.3
71.08630	28.9
79.05492	19.4
80.64574	2.8
81.07055	85.5
83.04939	3.6
83.08617	26.8
85.06557	5.7
85.10195	15.9
91.05476	17.7
93.07037	19.8
95.04962	6.1
95.08605	100.0
97.06519	11.5
97.10174	7.5
105.07036	16.0
107.08593	3.9
109.10156	19.0
119.08602	21.3
121.10144	5.2
123.11722	5.1
133.10130	15.8
135.11673	7.0
137.09605	4.3
137.13269	7.0
148.84567	3.4
161.13261	38.6
165.51469	3.0
179.14391	10.2
179.46399	3.3
210.05995	3.2
239.23717	11.1
250.93829	3.0
253.18013	38.0
313.27396	30.5
491.40692	7.8
509.42041	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05813	0.3
67.05503	0.6
69.23326	0.3
70.62486	0.4
70.62833	1.2
79.05479	0.4
81.07041	0.8
85.02908	0.3
88.99779	0.3
91.05476	0.6
93.07005	0.7
95.08604	0.8
96.05992	0.4
97.06538	0.3
104.90873	0.3
104.99277	0.5
106.71494	0.4
107.04951	0.4
133.06467	0.4
145.10202	0.5
163.03963	0.6
167.07069	0.6
256.72034	0.3
261.18320	4.4
265.04776	0.4
267.17929	0.4
271.06085	1.0
277.16556	0.7
279.18103	1.5
289.17813	0.8
299.05551	0.9
303.18344	0.7
321.19122	1.2
325.07169	0.7
383.20505	0.8
405.22626	1.1
423.23465	10.5
447.23410	0.6
465.24557	32.5
466.24554	0.4
509.23581	100.0
510.24057	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2361
Annotation	Difluprednate
Peak:m/z	Relative Intensity
51.20249	0.7
55.05514	1.0
55.38712	0.6
66.58192	0.7
67.05497	2.3
69.07056	2.5
69.24509	0.8
71.36306	1.6
75.52734	0.8
79.05505	1.7
81.03417	0.9
81.07066	4.2
83.08614	0.9
91.05495	0.9
93.07040	3.2
93.16473	0.7
95.08592	2.5
104.71212	0.8
105.06989	0.8
107.08601	2.6
109.10150	1.1
119.01885	3.6
119.08548	1.1
121.10146	1.7
122.10609	0.7
123.11725	0.9
124.37234	0.8
127.00059	0.7
131.08525	1.0
133.10135	1.1
141.57552	0.8
143.01889	1.4
149.13245	1.1
157.03452	0.9
161.02934	2.6
175.04509	1.1
184.01900	0.6
185.04286	0.9
227.05333	1.8
243.04787	3.0
245.06372	2.2
261.18317	3.4
271.04340	1.7
287.03745	23.7
289.05307	25.9
303.18268	1.0
393.84415	0.8
405.22165	2.0
423.23322	3.1
447.23489	7.2
465.24570	23.2
470.60379	0.8
491.22534	50.0
509.23599	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02587	0.6
53.94232	0.5
54.55806	0.6
55.05488	0.9
55.63187	0.5
56.33171	0.5
67.05479	1.6
69.07043	1.7
70.16933	2.9
79.05443	0.9
81.07024	2.5
91.05449	1.0
93.06993	2.7
94.30370	0.7
95.04914	0.8
95.08578	1.2
105.06989	1.3
107.04939	0.8
107.08550	1.7
107.17507	0.6
109.10172	1.4
119.01875	1.1
119.08546	1.2
121.10097	1.1
133.10117	0.8
135.11668	0.7
147.11646	0.6
161.03004	1.1
175.04372	0.7
185.04224	1.3
196.74217	0.6
203.05336	3.1
227.05188	0.6
243.04768	1.6
245.06355	9.3
261.18234	0.8
271.04150	0.7
287.03760	15.3
289.05289	100.0
423.23450	1.1
447.23669	0.9
465.24649	14.3
491.22418	7.5
509.23578	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.7
67.05479	0.7
69.03426	0.7
69.07042	1.0
79.05485	1.1
81.07047	2.3
91.05464	1.5
93.07036	2.6
95.08602	1.3
95.46121	0.6
98.20716	1.2
105.07027	1.2
107.05009	0.8
107.08582	1.8
109.10178	0.7
119.01934	0.8
119.08568	1.3
121.10149	1.0
131.08635	0.7
135.11656	0.7
167.03410	2.5
167.07071	1.2
185.04198	0.7
201.03751	1.4
203.05293	1.6
227.05336	1.4
229.03256	0.8
243.04709	7.7
245.06328	7.2
261.18286	6.4
271.04092	1.3
287.00409	0.9
287.03741	52.3
289.05304	73.4
299.05286	0.8
299.48251	0.6
325.06967	1.0
337.07120	0.7
423.23755	1.4
459.10150	0.7
465.24631	14.9
467.49332	0.6
479.13382	1.7
491.13580	3.3
491.21979	2.8
509.23584	100.0
510.23849	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	42.6
57.03432	7.4
57.07076	17.9
67.05502	57.8
69.07056	61.2
71.08634	11.8
71.60687	8.6
79.05487	19.6
81.07055	69.2
83.08617	36.6
85.48377	7.7
91.05428	8.4
93.07064	36.2
95.08590	54.8
97.06517	12.1
97.10167	29.0
104.10748	12.0
107.08584	27.6
109.10129	21.2
111.08044	8.0
118.45042	6.5
120.93718	8.4
121.10116	46.6
123.11739	20.0
135.11659	40.8
135.78224	7.6
137.13261	17.4
149.13217	14.3
150.90511	8.2
155.41179	7.8
163.14903	7.5
184.07346	16.7
200.33617	7.3
219.21066	40.1
237.22116	97.3
255.23161	15.1
270.31598	6.7
276.53186	6.8
311.25787	100.0
329.26883	27.8
337.27316	11.7
339.25943	7.4
366.05051	7.4
508.33078	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	509.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.1
55.05501	3.9
65.34339	1.8
67.05484	3.7
69.03416	3.7
69.07063	5.7
69.38502	13.6
69.38924	4.1
72.46595	1.8
74.50024	2.3
79.05487	6.1
81.07044	6.6
83.83976	1.8
85.02894	2.4
89.03889	2.5
91.05473	11.0
93.03375	1.9
93.07034	5.8
95.04976	6.6
95.08585	3.5
103.05490	10.0
104.06207	2.1
105.03431	3.3
105.07018	8.3
106.04192	2.8
107.04962	15.6
109.02861	1.9
115.05461	3.0
117.03350	2.6
119.04948	2.2
119.08546	2.9
121.06499	8.7
123.04430	2.0
129.06989	3.7
131.04921	21.8
131.08545	2.5
132.05701	15.3
133.06462	4.2
134.05971	1.9
135.04413	4.1
137.05945	3.8
145.02887	3.3
146.03603	2.8
146.62656	2.2
147.04378	4.2
148.68362	1.8
149.06010	10.6
151.07500	2.9
153.95631	2.0
160.05197	4.9
161.05986	15.2
163.03886	9.6
163.07536	3.0
166.06210	2.9
167.03365	13.7
167.07039	18.9
171.04459	2.0
171.07878	1.9
177.05525	10.9
180.07819	3.7
181.08656	3.3
182.09357	5.0
184.05234	3.4
187.07489	3.9
191.03413	3.7
191.07057	6.7
192.07834	12.5
193.08600	17.9
200.04628	5.5
209.08003	9.7
210.08847	3.2
212.04726	5.3
215.06993	5.2
215.58603	2.3
225.05350	2.3
227.07025	30.0
228.04221	7.5
240.04108	3.9
243.06537	36.3
253.05049	7.4
255.06453	6.7
256.03674	5.5
267.06537	3.6
269.08185	2.4
271.06015	64.2
280.07111	3.2
283.05969	2.5
289.05176	3.0
291.19656	3.7
297.07474	3.9
299.05505	79.4
301.06879	3.3
309.07346	3.7
311.05557	7.1
325.07068	50.2
337.07141	14.5
355.08011	5.3
459.11032	12.6
465.24298	8.1
479.13187	7.8
491.13409	6.3
491.22131	5.6
509.14288	100.0
509.23181	37.6
509.29910	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17147	3.0
53.03929	3.8
55.05266	2.8
55.05508	40.9
57.03439	5.5
57.07056	10.4
63.89475	2.9
67.05498	70.0
69.07066	52.4
70.03144	6.6
70.03547	10.3
71.04979	11.0
71.08626	4.1
79.05490	37.0
81.06577	5.3
81.07050	100.0
83.04951	4.6
83.08613	38.3
85.06525	8.2
91.05465	19.3
93.07034	39.2
93.55611	2.5
95.08604	93.5
97.06531	17.0
97.10146	15.2
98.21493	3.3
99.08086	5.6
105.07037	21.1
107.08590	16.9
109.10138	22.0
111.08105	6.7
111.11716	4.7
116.73958	2.9
119.08568	25.0
121.10142	22.1
123.11667	6.0
133.10168	16.4
135.11678	22.0
137.13214	9.6
149.13252	8.2
153.12686	2.9
161.13232	37.5
179.14330	18.9
190.83246	2.8
219.21199	6.9
228.72676	3.1
237.22169	9.2
253.17973	36.6
261.22165	3.2
283.60715	2.7
311.25745	21.8
415.35715	3.8
461.95813	3.5
489.39407	9.5
507.34564	3.6
507.40549	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05064	1.2
53.03952	1.9
53.82399	1.4
55.05254	2.7
55.05508	30.3
56.23287	1.5
57.03442	10.9
57.07073	17.1
59.04994	3.3
60.75765	1.3
65.03931	3.4
67.05503	100.0
69.07063	20.0
69.88799	1.3
71.04981	4.6
71.08624	9.9
77.79095	1.3
79.05490	31.2
81.06572	3.2
81.07053	62.8
83.04952	1.4
83.08620	18.1
85.06543	4.1
85.10202	6.6
89.06020	3.9
91.05470	23.2
93.07043	35.9
95.04938	3.6
95.08607	46.8
97.04248	1.5
97.06544	3.7
97.10169	15.9
98.20774	2.9
105.07031	20.1
107.08592	27.3
109.06502	2.3
109.10154	62.5
111.08064	5.1
117.07046	7.3
119.08582	16.8
121.10137	19.0
123.08047	2.1
123.11684	7.8
125.09637	11.2
131.08566	11.3
133.10138	14.1
135.08061	2.8
135.11674	11.3
137.09598	4.1
137.13278	3.7
139.11212	2.1
142.75438	1.5
143.08534	3.5
145.10135	9.8
147.11699	12.2
149.09605	2.0
149.13268	6.6
151.14882	1.6
155.08510	1.8
155.10667	1.4
156.97504	3.0
157.10130	3.9
159.11681	9.8
161.13283	5.8
163.11203	2.0
163.14828	3.3
171.11658	3.6
173.11739	15.0
173.13289	8.0
174.98521	6.6
175.14812	4.6
176.99232	3.0
183.11739	1.6
185.13232	2.7
187.14845	4.2
189.11192	8.0
195.00314	70.4
197.13295	1.7
201.00021	1.8
205.15903	1.7
213.00124	8.6
222.71233	1.4
227.12775	16.3
229.14340	31.0
231.01186	2.8
231.16016	1.7
241.19621	2.7
243.20909	3.6
259.20578	5.4
261.22128	24.5
263.23676	1.8
279.23141	1.9
289.21735	1.5
313.27396	19.9
317.24753	4.1
329.24796	1.6
333.24152	2.6
335.25790	18.3
379.30057	4.5
386.00235	1.8
397.30896	10.1
415.32053	9.7
433.33228	7.9
451.22830	1.9
471.34619	4.7
489.24805	1.7
489.35712	40.5
507.26743	21.3
507.36755	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05064	1.2
53.03952	1.9
53.82399	1.4
55.05254	2.7
55.05508	30.3
56.23287	1.5
57.03442	10.9
57.07073	17.1
59.04994	3.3
60.75765	1.3
65.03931	3.4
67.05503	100.0
69.07063	20.0
69.88799	1.3
71.04981	4.6
71.08624	9.9
77.79095	1.3
79.05490	31.2
81.06572	3.2
81.07053	62.8
83.04952	1.4
83.08620	18.1
85.06543	4.1
85.10202	6.6
89.06020	3.9
91.05470	23.2
93.07043	35.9
95.04938	3.6
95.08607	46.8
97.04248	1.5
97.06544	3.7
97.10169	15.9
98.20774	2.9
105.07031	20.1
107.08592	27.3
109.06502	2.3
109.10154	62.5
111.08064	5.1
117.07046	7.3
119.08582	16.8
121.10137	19.0
123.08047	2.1
123.11684	7.8
125.09637	11.2
131.08566	11.3
133.10138	14.1
135.08061	2.8
135.11674	11.3
137.09598	4.1
137.13278	3.7
139.11212	2.1
142.75438	1.5
143.08534	3.5
145.10135	9.8
147.11699	12.2
149.09605	2.0
149.13268	6.6
151.14882	1.6
155.08510	1.8
155.10667	1.4
156.97504	3.0
157.10130	3.9
159.11681	9.8
161.13283	5.8
163.11203	2.0
163.14828	3.3
171.11658	3.6
173.11739	15.0
173.13289	8.0
174.98521	6.6
175.14812	4.6
176.99232	3.0
183.11739	1.6
185.13232	2.7
187.14845	4.2
189.11192	8.0
195.00314	70.4
197.13295	1.7
201.00021	1.8
205.15903	1.7
213.00124	8.6
222.71233	1.4
227.12775	16.3
229.14340	31.0
231.01186	2.8
231.16016	1.7
241.19621	2.7
243.20909	3.6
259.20578	5.4
261.22128	24.5
263.23676	1.8
279.23141	1.9
289.21735	1.5
313.27396	19.9
317.24753	4.1
329.24796	1.6
333.24152	2.6
335.25790	18.3
379.30057	4.5
386.00235	1.8
397.30896	10.1
415.32053	9.7
433.33228	7.9
451.22830	1.9
471.34619	4.7
489.24805	1.7
489.35712	40.5
507.26743	21.3
507.36755	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3681
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
53.03947	3.0
55.01857	4.6
55.05266	2.1
55.05511	32.0
57.03436	11.3
57.07078	8.9
59.04992	2.1
65.03941	3.5
66.43385	1.7
67.05503	100.0
69.03047	1.5
69.03419	3.5
69.07067	18.0
71.04980	3.8
71.08631	4.5
71.52520	2.1
79.05493	34.3
81.07054	72.0
83.04984	3.5
83.08619	20.3
85.06536	3.9
85.10176	1.8
88.50430	1.4
90.16513	1.5
91.05477	22.6
93.07041	38.2
95.04973	4.8
95.08610	50.3
97.06529	5.4
97.10172	18.2
99.08050	1.7
105.07031	15.3
107.08595	26.4
109.06493	1.7
109.10152	58.8
111.08078	4.1
111.11684	1.6
117.07004	7.0
119.08590	19.8
119.18261	1.4
121.10139	19.3
123.08089	2.5
123.11710	9.9
125.09624	13.8
129.06973	2.4
131.08556	14.9
133.08510	1.5
133.10130	15.1
135.08055	2.2
135.11671	13.6
137.09599	3.0
137.13281	4.6
139.11179	1.6
143.08516	2.6
145.10124	12.1
145.72319	1.4
147.11678	13.0
149.09633	2.1
149.13252	10.9
150.76465	1.5
153.09138	1.6
155.10648	1.8
157.10129	2.8
159.11690	11.0
161.13260	4.9
163.14803	4.2
165.12738	1.5
171.11659	3.8
173.11722	13.1
173.13251	6.5
175.14900	1.9
177.12753	1.8
185.13219	3.3
187.14799	5.0
189.11208	10.8
199.14867	2.1
201.16649	1.5
205.15903	2.4
227.12772	11.8
229.14326	32.4
231.15836	2.9
243.21124	6.9
259.20511	5.1
261.22116	32.5
263.23938	1.6
277.21674	2.5
279.23264	2.4
289.21588	2.9
299.23657	2.4
317.24689	6.6
333.24374	1.8
335.25742	22.3
379.29623	2.9
397.30908	11.9
415.32059	11.0
433.33112	7.9
449.32483	2.1
471.34787	4.8
489.35739	48.4
507.28699	2.1
507.36362	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
55.01861	2.7
55.05256	2.1
55.05511	28.1
57.03441	7.3
57.07074	6.1
59.05001	3.7
65.03923	4.0
67.05502	100.0
68.12910	1.3
69.03408	1.5
69.07069	15.7
70.25993	6.2
71.04990	5.2
71.08627	4.1
74.48397	1.7
79.05488	31.9
81.07055	69.0
83.08607	15.0
85.06555	3.1
85.10155	1.5
89.28860	1.2
91.05470	21.8
92.20453	1.5
93.07038	38.6
95.04976	4.2
95.08606	48.9
96.08971	1.3
97.06532	4.5
97.10175	16.9
99.08099	2.3
105.07039	17.9
107.08590	29.8
109.06561	1.7
109.10152	69.7
111.08077	4.7
111.11749	1.4
116.03204	1.4
117.07037	7.4
119.08575	21.7
120.67611	1.5
121.10134	17.9
123.08076	1.9
123.11668	7.4
125.09629	11.7
129.06973	2.2
131.08557	14.1
133.10124	12.4
135.11690	15.1
137.09587	5.6
137.13258	3.8
139.11200	2.1
143.08519	1.9
145.10112	11.9
147.11708	10.5
149.13257	10.6
151.14810	2.3
153.09155	2.5
153.12741	1.6
155.10678	2.1
157.10175	3.2
159.11626	9.6
161.13243	6.3
163.14748	4.0
165.12677	1.7
169.10213	1.7
171.11661	2.3
173.11745	19.9
173.13275	9.0
175.14716	1.9
183.11624	2.3
185.13200	2.3
187.14809	3.7
189.11186	10.4
195.13811	2.0
199.14825	2.8
201.16357	1.8
213.16472	2.0
227.12820	13.0
229.14363	39.7
231.15829	2.9
241.19511	2.3
243.21094	4.7
259.20593	3.5
261.22150	22.0
263.23804	1.9
277.21616	1.8
279.23218	2.7
289.21826	2.0
317.24756	3.2
319.22897	1.7
335.25754	25.7
379.29840	3.4
397.30847	9.2
415.31891	11.3
432.61719	1.5
433.33252	7.2
435.31482	1.8
471.34686	5.4
477.69519	1.7
489.35757	47.3
507.36200	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	16.7
57.03439	7.7
57.97120	3.4
61.47546	3.7
67.05495	49.9
69.07072	10.7
71.59955	4.9
79.05484	41.6
81.07041	47.3
82.50471	3.6
83.08630	7.4
91.05477	24.3
93.07025	43.9
95.08601	50.7
96.37601	3.6
97.06494	4.3
97.10173	6.4
98.98463	57.5
105.07011	13.2
107.08591	22.0
109.10140	18.6
117.07019	5.3
119.08589	15.3
121.10150	17.6
123.11726	3.9
131.08572	9.3
133.10158	10.3
135.11723	19.3
145.10135	9.8
147.11676	13.0
149.13274	5.5
155.01033	19.6
159.11601	5.1
163.14758	5.2
173.02100	11.2
175.14853	4.7
202.71523	3.5
209.93178	4.0
211.03786	5.2
214.36606	4.3
229.04721	5.5
243.21059	9.5
247.05872	4.4
261.22174	15.3
317.24850	9.1
335.25772	100.0
391.02646	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	13.5
56.27324	3.5
56.66322	4.1
57.03433	12.2
60.98344	3.6
66.77438	3.5
67.05504	32.6
67.83097	3.5
69.07054	9.1
79.05498	26.0
81.07058	36.5
83.08630	7.9
91.05484	14.0
93.07039	29.9
95.08624	24.4
97.06532	3.7
98.98455	48.1
105.07029	10.7
107.08595	15.4
109.10156	9.3
117.06999	5.7
119.08616	9.8
120.08108	10.9
121.10162	10.7
123.11683	6.4
131.08562	4.8
133.10135	5.8
135.11711	7.7
147.11664	6.7
149.13338	4.4
155.01041	10.4
159.11711	4.3
161.13367	5.3
173.02132	12.0
173.13239	5.2
247.05775	5.3
261.22241	5.4
317.24908	6.6
335.25778	100.0
372.00012	4.4
404.60873	4.2
466.29849	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	507.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06321	0.2
53.03934	0.4
55.01870	0.5
55.05510	2.3
57.03420	1.2
57.07059	0.4
57.47775	0.3
66.58041	0.3
67.05504	3.4
69.07061	2.5
71.28378	0.6
79.05493	2.0
81.07056	3.6
83.08607	1.2
86.09693	0.3
89.03909	4.7
89.04420	0.5
91.05476	1.1
93.07042	0.8
93.69884	0.2
95.04961	0.7
95.08607	3.1
97.06516	0.4
97.10168	0.6
105.07005	1.1
107.04947	2.0
107.08550	0.8
109.10133	1.2
117.03370	4.7
119.08569	0.6
121.10107	0.6
133.10117	0.3
135.04413	13.4
135.11641	0.5
145.02840	10.4
145.03870	0.4
146.36179	0.3
163.03897	100.0
164.04199	0.7
181.04958	1.1
186.05450	0.5
235.20555	0.4
327.25189	0.8
355.02365	0.3
421.18976	0.3
449.68439	0.3
489.28638	3.0
507.29742	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	506.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
56.05033	0.9
57.03435	1.1
61.02923	1.6
62.59792	0.8
62.67614	0.7
69.03416	2.6
70.06580	1.8
71.58248	1.2
72.08144	2.3
74.63367	0.8
81.03404	1.3
84.04508	1.7
84.08130	0.8
85.02906	10.6
86.09698	1.3
91.05477	5.9
97.02894	2.4
102.05550	1.0
109.02842	1.3
117.03376	1.2
117.15467	0.8
119.04937	19.0
123.04430	0.7
127.03901	2.2
145.02826	1.3
145.05011	3.6
147.04402	100.0
155.08311	0.8
163.03926	2.3
163.06021	1.1
165.05466	52.4
167.06856	0.9
177.05492	2.4
177.87175	0.7
180.08606	0.8
181.05099	1.0
182.08145	1.6
203.82094	0.9
224.01381	0.8
237.02925	1.0
344.13553	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	19.9
56.96561	13.9
57.07080	12.4
57.89083	9.8
67.05481	21.4
69.03410	31.5
69.07064	40.7
70.06581	10.5
71.59452	19.2
74.09971	11.4
74.52583	9.8
79.05491	33.4
81.03416	23.8
81.07041	52.0
83.08611	35.1
85.02907	73.2
85.06530	43.3
87.00792	25.4
88.11547	10.9
93.06974	26.8
93.41535	11.0
95.04941	13.2
95.08611	73.0
97.02882	28.1
97.10168	13.2
99.08082	16.8
103.05464	12.1
105.01895	23.0
105.07018	15.0
107.04888	14.4
107.08588	66.1
109.02862	13.1
109.10135	56.3
121.10136	42.6
123.11700	45.6
127.03911	51.3
135.11737	17.0
137.05942	13.0
149.13197	33.1
166.08630	13.0
167.07054	12.1
167.14400	15.5
177.16362	23.7
200.82135	10.6
205.19551	50.8
216.34778	10.8
223.20584	100.0
241.21654	93.7
319.74255	11.6
343.09030	10.6
404.52032	14.5
507.21695	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	504.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	14.0
53.57316	6.0
55.01875	11.5
55.05513	9.7
57.03431	6.8
67.05495	21.3
69.03426	39.7
69.07043	8.4
71.04826	11.0
79.05488	20.0
81.03406	35.5
81.07063	60.8
85.02908	85.7
87.00829	26.0
91.05482	37.7
93.07030	49.5
94.44081	6.2
95.08608	60.7
97.02876	24.4
99.04454	15.1
105.01856	25.3
105.07030	68.4
107.08598	75.7
109.02872	29.3
109.10159	65.6
119.08573	42.8
121.10138	17.5
123.11704	9.4
127.03946	52.0
133.10146	30.6
135.11729	16.1
145.04958	19.8
147.02902	8.7
147.11691	54.2
159.02895	21.8
161.13202	14.5
161.92313	6.3
163.14824	9.7
175.14867	9.1
203.17960	100.0
231.04982	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	505.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23577	5.6
51.02447	5.1
53.84669	5.9
56.05013	6.9
56.40469	5.8
58.55706	6.4
70.06597	7.3
71.58801	9.9
72.04516	7.7
72.08147	9.5
74.02431	33.1
81.03423	15.9
82.02963	6.4
82.06577	17.3
83.04990	30.4
84.04506	17.2
84.08137	12.4
86.09715	8.9
93.06991	6.6
95.04969	19.9
98.06043	37.4
98.97571	12.7
99.04485	7.7
99.05569	38.6
100.03989	16.4
108.49303	7.9
109.06519	22.8
116.07061	7.7
116.98547	6.8
117.06592	6.9
118.05026	22.5
121.06506	8.1
125.05903	6.4
129.10205	6.8
134.47011	6.5
136.07585	7.5
137.05984	13.4
138.09152	42.9
145.06107	29.5
146.04471	63.2
163.07132	100.0
180.10170	11.2
181.08539	32.8
183.07701	7.6
198.11317	38.6
204.04083	5.9
225.08824	10.8
243.09821	12.5
261.80746	6.7
280.98840	6.2
282.53461	7.2
283.12827	19.1
469.17889	7.3
505.27536	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	505.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05262	0.9
55.05507	11.4
57.03437	3.9
57.07066	4.9
57.51060	0.6
67.05494	4.3
67.67822	0.7
69.07064	13.9
69.85126	3.2
71.04988	0.7
71.08605	2.6
79.05498	3.2
81.03424	0.9
81.07050	5.1
81.39404	0.6
83.04948	0.9
83.08614	10.6
85.10173	1.5
86.09708	0.7
91.05429	1.2
93.07032	3.0
95.08596	3.1
97.06537	1.1
97.10156	6.8
105.07027	0.9
107.08582	2.7
109.10129	1.5
111.11667	1.1
115.03678	1.1
119.08580	1.0
120.96684	0.8
121.10127	1.2
133.10152	1.1
135.11679	1.6
149.13191	0.6
155.17752	0.7
156.97464	2.1
174.98546	4.2
176.99228	4.2
195.00291	100.0
201.00114	1.0
213.00044	5.4
231.01160	1.1
259.20474	0.8
269.02927	1.1
306.97989	0.7
311.25830	17.1
333.23798	0.9
413.20911	0.8
432.30896	0.7
449.21335	1.7
505.25174	15.6
505.31793	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.2
55.05503	12.6
65.03903	3.2
66.46882	3.4
67.05499	40.0
68.86490	3.0
69.03428	8.1
69.07057	11.7
71.33569	6.5
79.05476	19.5
81.03416	7.7
81.07053	82.5
83.08611	3.4
85.02891	25.8
87.00835	9.9
91.05479	26.6
93.07039	52.1
95.04980	6.7
95.08597	93.9
97.02891	14.6
105.01862	21.7
105.07028	84.6
107.07864	4.7
107.08591	88.9
109.02871	7.2
109.10149	60.8
119.08576	70.9
121.10145	23.7
123.11707	13.9
125.09700	4.5
127.03900	17.8
131.08531	6.3
133.10121	47.8
135.11736	15.8
143.13344	3.8
145.04959	14.9
147.11674	63.5
159.02901	6.4
159.11623	3.8
161.13281	24.0
163.14824	13.7
175.14830	10.0
203.17929	100.0
209.88197	3.0
231.04982	5.8
249.06126	6.0
284.09769	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	504.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.4
55.01860	8.0
55.05514	12.9
56.96556	3.7
57.07075	3.5
65.03956	2.9
65.97174	2.8
67.05502	27.3
67.25875	2.4
69.03422	5.9
69.07064	18.0
70.06590	5.4
71.05002	3.4
71.59014	3.4
71.59407	3.9
71.76939	2.5
79.05482	17.3
81.03419	8.3
81.07060	59.5
81.95538	2.7
83.04989	3.7
83.08607	8.0
84.08145	4.4
85.02901	21.0
85.10105	3.2
87.00826	8.1
91.05479	39.0
93.07043	100.0
95.04969	7.8
95.08606	57.3
97.02883	8.0
97.06519	7.6
97.10177	3.7
105.01833	13.7
105.06364	5.0
105.07029	50.6
107.04939	4.7
107.08589	50.0
109.02902	4.2
109.06529	4.1
109.10155	64.8
111.08086	26.4
113.09636	3.3
117.06982	4.8
119.08578	49.4
121.06499	2.6
121.10147	31.4
123.11707	18.1
127.03915	11.3
131.04897	5.4
133.10129	34.5
135.11690	43.3
137.05988	3.6
139.11247	2.9
145.04935	6.0
145.10103	5.2
147.11679	57.0
149.06068	2.8
149.13258	10.6
153.01826	16.7
157.10222	2.9
161.12086	2.9
161.13269	18.3
163.14825	9.1
165.12715	6.3
171.02872	8.7
175.14795	9.5
193.05029	2.8
195.11607	2.6
203.14442	2.7
203.17947	62.4
221.15384	6.7
221.19005	16.9
231.05078	4.2
242.20764	2.9
249.06281	3.1
257.08069	21.1
388.09802	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
54.55672	1.7
55.01870	1.7
55.05510	89.4
56.05016	2.5
57.03425	2.0
65.03930	2.2
67.05494	4.1
69.03432	9.7
69.07055	3.5
70.06594	25.2
71.59898	2.7
72.08155	5.4
73.02905	7.6
73.06557	22.8
79.05502	2.1
81.03418	8.1
81.07053	7.0
82.02897	1.9
83.04993	2.0
84.04528	3.6
84.08128	5.4
85.02904	10.8
86.09708	22.9
87.00836	2.9
89.06033	4.1
91.05479	3.8
91.07592	83.1
93.07028	3.1
95.08636	2.6
97.02870	7.8
98.06075	2.2
99.04462	2.9
100.34343	1.8
102.05514	1.5
105.01853	3.3
105.07036	4.0
107.04903	2.1
107.08637	2.1
108.04461	2.0
109.02875	6.4
109.06554	2.8
109.10149	2.1
110.07203	3.5
111.04417	2.7
120.08083	3.2
121.02867	4.7
121.10143	1.9
121.52264	1.7
127.03917	6.9
129.10242	4.6
131.04865	1.8
132.04459	2.3
133.02769	1.8
133.08609	2.5
133.10150	9.4
133.10962	1.4
134.10451	4.7
135.08075	2.5
136.07561	1.9
137.05965	11.8
137.09622	4.8
139.03873	2.1
145.02823	1.8
145.04976	1.9
149.02339	100.0
159.02856	2.0
163.03995	2.0
167.03401	3.6
167.05563	1.9
177.05455	2.2
188.06924	1.7
191.14310	4.1
192.14714	2.0
210.15894	1.7
221.08072	25.0
223.06049	1.7
228.06366	2.2
239.09126	7.8
250.14342	2.5
255.05212	3.3
270.07684	5.9
284.09018	2.6
286.07123	2.5
301.16260	1.7
302.10229	4.5
303.04941	2.1
312.08505	6.5
330.09714	21.8
390.14313	1.8
458.14438	5.7
504.14832	41.2
504.21130	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	503.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.4
51.02382	0.6
53.03943	2.8
55.01864	1.3
55.05509	17.6
57.03425	2.5
57.07062	2.6
59.05001	1.0
61.02933	0.6
65.03928	3.6
67.05500	62.8
69.03418	1.8
69.07061	11.8
71.04989	6.2
71.08627	0.6
73.06542	0.6
76.75102	0.5
79.05486	36.4
81.03408	1.7
81.07051	100.0
83.04978	2.0
83.08615	6.4
85.02911	0.7
85.06539	9.9
89.06031	0.7
90.06552	0.5
91.05473	25.0
93.07039	32.4
95.04961	5.0
95.08602	23.6
97.06541	2.4
97.10166	3.1
98.21593	1.0
103.05486	0.7
105.04570	0.8
105.07020	15.1
107.08589	19.1
107.09280	1.2
109.06531	1.4
109.10145	10.5
109.10826	0.9
111.08082	1.3
113.57217	0.6
117.07034	4.9
119.08569	10.5
121.06513	0.5
121.10131	14.6
121.46271	0.5
123.08072	0.6
123.11700	13.0
123.12553	0.7
127.54671	0.6
129.07059	1.8
131.08562	7.2
133.10126	14.7
133.11066	0.9
135.08014	0.7
135.11681	8.5
137.09697	0.7
139.11227	1.1
143.08604	2.4
145.10121	6.4
147.11671	5.6
149.09689	0.7
149.13246	3.3
151.11172	5.6
151.12129	0.5
153.12703	0.6
155.08574	0.6
157.10139	1.6
159.11665	4.6
161.13243	3.6
163.14874	0.9
169.10208	0.7
169.12265	2.5
171.11725	1.7
173.13281	3.8
175.14886	1.3
183.11674	0.7
185.13315	1.4
187.13304	8.9
187.14857	1.7
189.16475	0.8
193.12277	0.8
196.81769	0.5
197.13312	0.8
227.16354	0.9
243.21140	1.3
259.20880	0.7
261.22144	4.1
287.23575	0.7
295.17450	0.7
331.26599	0.7
383.19351	0.5
393.31955	2.3
405.30231	0.6
411.32495	3.6
429.33878	1.5
485.36298	3.0
503.37692	71.8
504.37979	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3728
Annotation	25-O-Methylcimigenol
Peak:m/z	Relative Intensity
53.03925	3.2
55.01853	1.2
55.05265	1.3
55.05506	17.4
57.03413	2.9
57.07053	3.2
59.04984	2.4
59.78814	0.7
65.03925	3.3
65.31316	0.8
66.81849	0.7
67.05497	63.8
69.03429	1.4
69.07059	14.3
69.90431	1.9
69.90867	2.5
71.04989	6.9
71.08625	0.8
73.06558	0.8
77.03876	0.9
79.05485	38.1
80.05818	0.7
81.07048	100.0
81.72594	0.7
83.04983	1.7
83.08608	8.8
85.06533	11.9
86.10112	0.8
89.06024	1.7
91.05472	23.6
93.07037	36.0
95.04951	4.6
95.08595	24.1
97.06532	2.3
97.10174	2.8
99.08052	1.1
105.04562	0.8
105.07016	18.8
105.07671	1.2
107.08585	18.3
109.06506	2.0
109.10146	11.9
111.08054	1.0
117.07031	6.6
119.08578	15.9
121.10133	15.1
123.11685	10.6
125.09669	0.9
129.07036	1.8
131.08556	9.6
133.10110	18.2
133.11052	0.9
135.08110	0.7
135.11681	12.8
141.06927	0.7
143.08582	2.7
145.10118	8.6
147.11665	7.0
147.12561	0.7
149.13243	4.2
151.11218	4.7
153.12810	2.5
157.10211	2.4
159.11691	6.5
161.13295	3.9
163.14911	1.3
169.10237	1.7
169.12314	2.3
171.11760	2.5
173.13234	5.6
174.85106	0.7
175.14882	1.9
183.11772	1.2
185.13377	1.0
187.13361	6.7
187.14871	2.5
189.16478	0.9
197.13332	1.0
199.14954	1.0
227.16585	3.1
234.51778	0.7
243.21150	0.9
247.08394	0.9
261.22070	3.5
273.22406	0.9
276.02679	0.7
285.22375	1.1
299.23889	0.8
311.23788	0.9
313.25330	0.8
331.26468	1.1
347.25928	0.8
393.31931	3.1
405.30252	0.8
411.32602	5.1
429.34283	2.7
447.35205	0.9
485.36429	4.7
503.37915	76.5
504.38461	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12568	1.3
53.03941	3.3
55.05258	1.3
55.05510	17.2
57.03426	2.4
57.07069	4.2
59.04994	1.3
64.12889	0.9
65.03946	2.8
65.64124	1.1
67.05502	65.5
69.03409	1.3
69.07066	10.5
71.04994	7.6
79.05487	34.9
81.07053	100.0
83.04988	1.9
83.08605	6.0
85.06533	10.4
91.05476	25.3
93.07040	31.9
95.04989	5.6
95.08605	21.9
97.06546	1.8
97.10186	3.0
98.21460	3.1
104.73985	1.1
105.07020	16.2
107.08588	16.2
109.06520	2.5
109.10146	11.5
111.87244	0.9
117.07027	4.5
119.08580	9.8
121.10135	13.6
123.11703	10.2
129.07036	1.5
131.08554	7.7
133.10127	14.9
135.11668	7.0
143.08577	1.3
145.10120	4.8
147.11703	4.8
149.13263	3.9
151.11179	4.5
157.10075	1.8
159.11702	5.2
160.16382	1.1
161.13298	3.7
163.03874	3.0
163.14713	1.2
169.12273	2.8
173.13272	3.3
187.13321	8.2
187.14841	1.6
201.16444	1.1
259.20355	1.1
261.22217	2.7
393.31339	1.5
398.42862	1.0
411.32626	4.0
456.35898	1.0
485.36108	1.8
503.37161	50.6
504.37927	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16457	0.2
51.95932	0.2
52.56393	0.2
55.05505	2.3
56.96577	1.0
57.03429	0.9
58.65252	0.1
63.02372	0.4
65.03921	0.3
67.05505	4.0
69.07063	1.8
69.73032	0.4
69.73430	1.2
71.04982	0.4
71.08617	0.2
78.04719	0.3
79.05499	2.0
81.03400	0.2
81.07056	4.0
83.08633	0.8
89.03910	5.1
91.05466	1.7
93.07058	1.6
95.04961	0.2
95.08603	2.9
97.06518	0.4
97.10193	0.4
98.20716	0.2
98.98443	1.0
103.05468	0.3
105.07024	1.1
106.04149	0.2
107.08602	0.8
109.06508	0.2
109.10121	0.9
111.08029	0.2
115.45680	0.2
117.03374	14.7
117.07044	0.2
119.04938	0.3
119.07801	0.2
119.08573	0.9
121.06500	0.3
121.10139	0.7
123.08065	0.7
123.11710	0.4
133.10097	0.4
134.03619	0.9
135.04411	1.4
135.11652	0.5
137.02692	0.1
137.05981	0.3
139.64633	0.2
145.02837	38.9
146.03151	0.3
147.11665	0.4
149.05971	5.1
149.13333	0.2
153.05557	0.2
157.21199	0.2
159.11636	0.2
161.13228	0.2
162.03075	0.4
163.03885	0.7
177.05460	100.0
178.05795	1.1
179.14291	0.7
186.05450	1.6
195.06488	1.3
251.09111	0.5
267.71597	0.2
275.20023	0.2
291.16379	0.9
299.06152	0.2
309.17331	1.3
309.24374	0.2
327.18280	0.3
331.26297	1.6
332.18793	0.3
405.29913	0.7
503.22873	1.1
503.29544	4.0
521.23816	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3341
Annotation	Val Thr Lys Arg
Peak:m/z	Relative Intensity
55.05500	1.2
65.49285	0.5
65.78921	0.7
67.05502	2.8
69.07040	0.7
70.66246	1.2
70.66557	1.1
79.05482	1.0
81.07040	2.8
83.08609	1.1
84.18137	0.7
85.66164	0.7
89.26930	0.6
91.05462	1.5
93.07028	0.9
95.08578	0.8
105.07070	1.0
109.10198	0.7
119.08575	1.6
152.62491	0.7
214.22945	0.7
270.70447	0.7
347.15195	0.8
418.65186	0.7
426.93164	0.8
503.33362	100.0
504.33832	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01845	2.3
55.05503	11.1
56.97308	2.0
57.03430	4.4
57.07074	5.4
67.05508	24.0
69.03410	2.4
69.07073	14.2
71.04967	3.8
71.08619	7.5
71.60665	3.3
79.05493	14.8
81.03412	2.8
81.07055	33.9
82.64198	2.4
83.08609	6.1
85.06537	3.1
89.06031	2.8
91.05478	9.0
93.07037	13.9
95.04945	6.2
95.08607	20.4
97.06528	2.7
97.10177	4.4
98.98467	68.0
99.08064	3.5
105.07032	13.9
107.08576	11.2
109.06514	12.5
109.10158	6.6
111.08083	3.1
116.99467	2.9
117.07009	3.0
119.08581	13.9
121.10126	8.6
123.08057	37.0
123.11712	3.4
131.08540	3.6
133.10118	12.4
135.08075	18.1
135.11676	5.9
143.08562	2.7
145.10152	6.2
147.11720	6.5
149.09654	3.8
149.13263	5.0
159.11668	4.3
161.09586	4.0
161.13252	2.3
162.63289	2.6
165.12769	1.9
167.14330	3.6
173.02100	12.9
175.14824	7.7
177.12778	8.7
179.14311	48.7
185.13252	2.2
191.14423	2.4
205.15868	9.3
233.19002	2.6
263.20099	6.3
275.20126	4.6
289.21613	7.9
303.26779	9.4
331.22302	5.2
331.26291	100.0
349.27426	15.1
387.29062	5.4
405.30011	59.1
423.31058	3.5
485.26712	4.6
503.27512	26.6
503.36111	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	503.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34296	1.4
55.05509	9.7
55.72201	1.5
57.03429	3.9
57.07083	2.2
67.05498	15.6
68.26403	1.7
69.07071	10.2
71.04975	1.9
71.08623	4.4
75.04479	2.0
79.05492	10.1
81.07055	19.4
83.04973	2.2
83.08620	3.6
83.14011	1.6
85.06563	3.0
91.05458	7.4
93.07036	10.7
94.37054	1.5
95.08611	16.0
97.06548	3.9
97.10130	2.0
98.21570	3.6
98.98460	68.9
99.08112	3.2
100.53450	1.6
105.07006	8.8
107.08590	12.2
109.06527	12.9
109.10164	6.2
116.99502	2.9
117.07020	1.7
119.08589	11.3
121.10117	8.8
123.08070	32.4
123.11710	2.5
125.09702	1.8
131.08551	3.7
133.10130	10.7
135.08054	17.7
135.11644	2.4
145.10104	4.9
147.11713	5.7
149.09642	4.8
149.13277	2.5
157.10165	3.0
159.11739	4.0
161.09631	2.8
161.13196	2.1
173.02126	13.4
173.13278	2.9
175.14873	5.1
177.05498	2.0
177.12756	7.3
179.14310	44.6
191.14290	2.2
205.15921	5.7
206.64685	1.5
233.19006	2.5
247.20578	2.3
263.20078	3.1
275.20096	5.9
289.21692	4.8
293.21356	2.0
303.27039	7.7
331.26312	100.0
335.08551	1.6
349.27383	17.5
358.16309	2.4
375.28647	2.1
387.28873	3.4
405.29987	55.2
406.30524	2.6
423.31079	2.0
485.26581	4.4
503.27911	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2486
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
55.05503	6.7
61.02914	1.8
67.05500	4.7
69.03420	8.9
69.07064	2.8
70.06583	9.2
71.04977	2.4
71.59200	2.0
72.08144	2.2
72.98897	1.4
73.02919	2.6
76.73137	1.3
79.05484	4.0
81.03411	2.7
81.07065	8.5
81.07477	1.4
83.04996	2.3
84.04475	2.8
84.08133	2.7
85.02915	7.7
85.06597	1.9
85.07660	3.3
86.09692	5.4
91.05439	7.2
91.07589	3.3
93.07033	5.5
95.04983	3.5
95.08607	3.4
96.15421	1.5
97.02874	3.7
99.04439	2.4
105.07014	6.4
107.04952	3.5
107.08577	17.2
109.02880	2.4
109.06506	4.5
109.10143	6.7
110.07149	2.5
117.06970	2.1
119.08579	4.9
120.08095	1.5
121.10130	11.2
127.03908	2.1
129.10219	2.0
130.36514	1.7
131.08575	2.0
133.10129	100.0
135.08066	9.8
135.11662	3.0
137.05966	8.6
137.09610	54.2
147.11678	2.5
149.02335	5.5
149.05959	1.7
149.09555	2.7
149.13243	10.8
151.41191	1.6
161.05850	2.5
161.82642	1.6
163.07434	1.6
173.13231	6.3
175.07503	2.9
191.14301	50.8
193.04797	2.0
207.06604	3.0
209.15372	20.8
243.34872	1.4
253.07028	5.3
254.07445	2.4
311.07373	1.6
311.12573	2.7
323.12738	2.6
329.08496	3.0
330.09735	4.2
458.14603	1.9
503.12991	3.6
503.19998	7.8
504.14761	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	503.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01857	2.7
55.05489	3.3
57.29487	1.3
60.04546	1.6
67.05499	3.8
68.43082	1.4
69.03433	8.7
69.07063	2.5
70.06597	8.7
71.04998	2.4
71.60103	1.9
72.08149	3.6
73.02921	3.2
79.05479	5.2
81.03397	5.0
81.07037	6.8
83.04980	2.7
83.08610	1.7
84.04485	3.1
84.08133	2.8
84.91170	1.8
85.02901	7.7
85.03356	1.8
85.06547	1.7
85.07663	16.0
86.09696	11.6
91.05460	6.3
93.07020	6.4
95.04984	2.3
95.08569	4.2
97.02876	4.0
97.06512	2.5
105.07042	7.5
107.08575	21.4
109.02871	2.9
109.06521	5.2
109.10135	5.1
117.06982	3.9
119.08559	4.0
121.06538	2.1
121.10123	10.0
122.07295	3.4
123.08073	2.8
127.03922	4.7
127.40068	1.7
129.10201	2.0
130.04976	1.9
131.08589	3.2
133.10121	100.0
135.08081	12.0
135.11678	5.0
137.05972	14.8
137.09608	51.9
145.10112	4.7
146.04562	2.1
147.04370	2.2
147.11673	2.1
149.02359	1.7
149.13217	10.3
161.05977	2.6
163.03894	3.3
163.14786	2.7
173.13222	6.8
175.07532	3.4
188.07170	1.8
191.14285	53.1
199.07486	1.8
201.05362	2.8
201.16335	2.8
204.97569	1.6
209.15353	27.4
219.07956	2.0
236.06293	1.7
238.40797	1.6
251.10538	2.1
253.07054	4.7
254.07475	2.1
255.05203	2.7
255.07610	5.6
255.19383	2.5
270.07608	3.2
286.06982	1.9
302.10318	2.3
311.07370	1.9
311.12903	2.5
329.03656	1.5
329.08282	2.0
330.09750	9.4
458.14340	2.9
503.13092	3.4
503.18927	8.5
504.14865	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	503.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53173	0.7
54.03838	0.7
55.05505	0.9
56.96565	17.5
59.31405	0.8
63.00246	0.8
66.22683	0.8
69.03399	0.8
70.02288	3.3
70.06579	3.0
71.08627	1.4
72.08150	3.5
83.97630	1.0
84.04518	1.1
84.08141	1.5
86.09703	3.9
98.97594	1.4
106.22835	0.8
109.99164	44.5
110.07172	0.9
116.00235	1.0
116.98602	1.7
128.00201	77.0
128.98596	2.4
129.10240	1.6
130.01781	1.1
133.01735	1.1
143.00174	1.3
146.01248	36.4
146.99654	1.4
148.01749	0.9
151.01794	0.8
157.02838	2.7
158.01260	3.0
160.02859	1.6
161.01210	1.2
163.03925	1.0
164.02321	2.2
172.06432	1.7
174.99092	1.1
175.03885	2.1
176.02357	1.7
189.01796	1.1
190.07458	7.9
198.07976	1.4
202.07402	0.8
208.08563	4.8
209.04482	1.1
216.09100	13.6
218.06998	2.1
220.08588	3.1
225.09059	18.5
227.10559	2.1
228.08884	1.0
231.10088	1.0
234.10146	9.1
243.10168	100.0
244.08353	1.5
244.10455	2.4
245.08173	0.9
245.11766	2.4
246.10162	2.1
253.08698	4.0
255.09981	1.3
257.11636	1.2
261.11212	31.6
262.45590	1.1
266.11771	3.7
266.92557	0.9
271.09613	9.4
273.11172	1.4
282.11258	1.9
284.13010	1.0
289.10712	16.6
300.12213	2.6
307.11725	11.1
314.10123	1.3
314.13858	2.1
324.12253	2.1
325.10611	3.3
326.10156	6.2
326.17465	1.0
342.13513	0.9
343.11792	1.3
344.11292	6.7
344.18417	1.3
352.18942	3.8
353.10141	9.3
370.12952	1.9
370.20181	6.0
393.21906	1.5
396.17975	1.7
414.19107	3.3
439.22284	44.4
449.21298	2.0
457.23273	2.5
467.21796	55.2
468.22104	1.7
485.22849	65.5
486.22787	1.9
503.23923	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.05494	1.7
56.26676	0.4
56.96560	0.7
57.03416	0.9
57.07060	0.6
61.02919	0.8
67.05485	1.6
69.03449	2.7
69.07080	2.4
69.51820	3.5
70.06571	1.0
73.02882	0.5
79.05475	1.3
80.83566	0.4
81.03422	3.4
81.07065	3.5
82.06560	0.7
82.24948	0.4
83.81702	0.4
84.08118	1.2
85.02903	6.1
85.06516	1.3
86.03214	0.6
86.09682	0.7
87.00792	1.3
87.04456	0.6
91.03931	0.6
91.05447	1.4
93.07058	2.5
95.04957	0.8
95.08594	2.4
97.02921	2.6
97.10124	0.6
98.97580	1.1
99.04457	0.9
105.01828	1.6
105.07038	2.3
107.04888	0.8
107.08563	2.2
109.02853	2.0
109.10109	1.6
111.04413	0.5
116.98605	1.0
117.07001	0.9
119.08557	1.8
120.08021	0.9
121.10128	1.9
121.16872	0.4
122.06035	0.5
122.10474	0.7
123.08001	0.9
123.11616	0.6
127.03879	4.6
128.98605	0.5
129.01813	0.6
131.08543	1.0
133.10129	1.4
134.99675	0.7
135.08083	0.8
135.11703	1.3
137.05905	1.7
145.04916	1.5
145.10083	2.2
146.10416	0.9
147.11650	0.8
150.10365	0.8
151.07497	0.6
159.02916	0.8
159.11650	1.1
160.12073	0.5
161.05905	0.7
161.13142	0.8
167.07059	1.3
175.07590	0.6
175.14751	0.6
193.04912	1.4
201.16432	1.0
202.16682	1.0
208.55000	0.5
214.62415	0.5
219.01746	1.1
219.17374	1.9
220.17780	1.1
225.10068	0.6
227.05267	0.6
227.11594	0.8
237.02739	2.1
237.18423	1.0
245.06122	0.7
255.15646	1.4
255.19604	0.9
271.04230	0.5
279.03763	1.7
283.15170	0.7
287.13794	0.7
289.05249	0.6
307.00790	0.6
313.16043	1.4
316.09656	0.7
326.85889	0.5
329.15417	1.0
355.17270	4.1
371.16455	3.1
399.15973	3.4
417.20871	4.9
457.14490	0.6
459.22037	20.5
487.15274	1.5
503.20740	100.0
504.20859	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01865	1.2
55.05503	0.8
57.03439	1.6
61.02919	2.5
67.09445	0.7
69.03426	8.4
70.06582	2.5
70.85098	1.8
71.04983	0.8
72.08179	1.5
73.02912	0.7
79.05480	3.1
81.03411	3.9
81.07065	1.6
84.04522	1.0
84.08138	1.9
85.02418	1.5
85.02907	18.8
85.07665	5.5
86.09702	2.1
87.04462	1.5
91.03946	1.4
91.05494	3.2
93.07043	1.3
94.04192	2.6
95.04985	1.4
95.08585	1.0
97.02890	6.1
98.21443	0.7
99.04458	1.5
103.05476	3.6
105.07034	3.8
107.04954	1.8
107.08607	0.9
109.02866	2.9
109.06518	3.1
109.10224	0.9
115.05462	3.8
117.07054	1.9
119.08597	2.5
121.06461	0.8
122.03657	7.9
123.04457	0.7
127.03922	4.8
128.06248	3.1
129.07004	1.6
129.10248	0.8
131.04924	3.1
132.05731	2.1
133.06517	3.4
135.04408	1.3
135.11658	0.8
137.05980	100.0
141.06990	1.2
145.04984	2.2
145.06512	1.2
147.04466	0.9
147.08023	3.7
149.06010	1.9
156.05672	1.5
159.08112	1.9
160.05232	1.7
161.05986	11.7
163.03900	3.0
163.07564	5.8
167.07098	0.8
169.06528	1.1
171.08067	1.6
175.07553	36.6
177.05455	1.0
177.09218	0.8
184.05205	0.9
187.07542	6.3
189.07037	1.0
189.09108	1.0
190.07826	2.0
191.08562	5.2
199.07541	16.8
201.05559	1.6
201.09064	1.5
202.07796	5.2
203.08563	10.3
205.06429	0.8
218.07286	1.9
219.08032	6.8
220.08823	1.9
221.09492	0.9
231.08057	10.0
232.08771	2.1
235.11160	1.4
236.08328	1.1
237.08981	0.9
247.07567	3.5
248.08292	4.8
249.09190	1.2
251.10670	7.4
259.07556	5.5
260.08420	2.0
261.09235	1.0
263.10709	5.3
264.07858	0.7
275.07080	0.9
276.07852	2.4
277.08594	3.5
279.10162	7.5
280.10861	0.8
291.10150	12.8
292.10880	6.4
293.08041	1.6
295.13211	2.2
300.03046	0.7
307.09595	0.7
308.10312	1.7
310.07184	0.7
311.12766	17.0
323.12775	20.8
325.14270	1.0
341.13959	0.9
353.08862	1.1
404.87195	0.8
485.19763	1.0
503.20798	1.3
503.31958	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	502.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29547	4.3
53.03931	13.0
55.01861	10.1
55.05495	6.1
57.03415	10.0
61.02914	8.3
67.05452	5.2
68.25404	4.1
69.03412	34.1
69.07050	8.3
70.72612	8.3
70.73006	8.6
73.02901	15.2
79.05487	8.1
81.03410	48.8
81.07028	17.1
85.02441	4.1
85.02891	100.0
87.00828	36.1
88.88116	5.0
91.05465	14.9
93.07034	22.7
95.04918	5.4
95.08596	20.9
97.02878	35.9
99.04441	23.6
105.01846	33.9
105.07014	30.8
107.04967	6.2
107.08589	26.1
109.02848	41.4
109.10146	14.0
117.01836	9.0
117.07001	7.7
119.08594	25.3
121.10122	17.3
123.11671	8.0
127.03912	67.2
127.19250	5.1
131.08514	12.5
133.10089	21.3
135.11671	19.5
137.05855	4.3
145.04942	31.9
145.10117	26.8
147.11656	10.8
147.91457	4.8
157.10056	6.0
159.02866	26.6
159.11665	20.4
161.13242	11.7
163.11217	6.9
169.10146	5.6
173.13216	7.7
175.14822	12.1
177.16370	8.5
187.14697	6.2
199.14778	4.7
201.16351	58.2
213.03864	5.4
219.17528	30.0
231.04993	13.1
435.90295	4.5
498.46619	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.6
53.03927	0.6
55.01856	0.6
55.23119	0.5
55.98560	0.6
56.69986	0.8
57.03435	0.8
61.02908	0.6
69.03422	2.3
69.07042	0.6
69.35870	0.5
70.06576	2.0
71.17065	1.4
72.08161	0.9
79.05503	1.5
81.03407	1.7
81.07024	1.0
83.86147	0.5
84.04488	1.3
84.08143	1.1
85.02900	6.2
86.09703	2.9
91.05471	3.8
94.04170	3.2
95.04967	1.0
97.02885	2.6
98.36935	0.6
99.04465	0.9
102.04556	0.7
103.05461	0.9
103.91540	0.6
104.66762	0.5
105.07033	5.6
107.04953	1.0
109.06500	2.2
115.05419	4.1
117.07019	1.2
118.04169	0.7
119.04914	0.8
119.08571	2.5
121.06528	1.3
122.03645	6.2
127.03949	1.3
128.06219	1.7
129.07014	1.9
129.10223	1.0
131.04913	1.4
131.08528	0.7
132.05702	2.1
133.06505	4.3
135.29753	0.6
137.05971	100.0
138.06340	1.0
141.06978	0.8
143.04875	0.9
144.05672	1.0
145.04993	0.6
145.06465	1.5
147.04407	1.9
147.08009	3.2
149.05977	1.4
149.80415	0.6
155.04872	0.8
156.05736	0.7
159.08037	1.8
160.05217	2.3
161.05971	14.2
163.07550	1.1
172.05183	1.8
175.06021	1.5
175.07539	29.0
179.07057	1.0
184.05165	1.6
187.07555	9.6
189.06909	0.9
189.50507	0.6
190.07863	1.6
191.08556	6.2
199.07539	9.1
202.07776	3.6
203.08554	6.7
217.08636	1.0
218.07262	2.6
219.08029	11.6
220.08664	1.3
231.07999	5.7
232.08742	1.3
233.09590	1.4
236.08316	1.8
247.07458	3.8
248.08336	3.3
249.08975	0.9
251.03967	0.9
251.10652	12.2
259.07474	3.5
260.08307	1.0
261.09283	0.9
263.10663	3.4
264.07825	1.0
265.08752	1.2
276.07880	1.6
277.08591	2.6
279.10126	11.7
280.10922	1.2
291.10165	10.4
292.10895	2.5
293.08044	1.3
295.13470	1.0
296.10382	0.8
308.10443	1.0
311.09113	1.2
311.12759	23.9
323.12769	15.0
377.01852	7.0
395.02893	3.6
503.05887	1.3
503.19864	1.2
504.15906	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	15.5
55.01869	12.4
55.05502	5.6
57.03428	5.3
61.02917	7.9
64.40375	3.0
67.05497	7.1
68.99789	2.9
69.03426	42.7
69.07066	6.3
69.87086	15.0
70.06585	3.8
71.04992	5.2
73.02911	9.7
79.05466	8.4
81.03418	43.1
81.07055	16.1
85.02905	100.0
87.00826	32.7
91.03974	3.0
91.05473	12.0
93.07039	14.4
95.05010	3.5
95.08608	20.9
97.02872	30.5
97.06549	3.1
99.04439	15.5
105.01858	32.8
105.07030	20.8
107.04943	3.3
107.08577	16.6
108.63880	2.5
109.02882	43.4
109.06600	2.7
109.10155	9.7
111.08076	5.5
117.01842	5.1
117.07002	9.9
119.04915	3.1
119.08599	20.4
121.06560	5.2
121.09405	2.6
121.10149	13.9
127.03915	76.5
128.51396	2.6
129.01863	6.2
131.08553	10.0
133.10135	11.1
135.11676	13.5
145.04950	27.7
145.10103	28.4
147.02875	6.3
147.11731	8.3
159.02910	25.7
159.11694	18.8
161.13271	11.0
173.13313	7.2
175.14754	4.8
185.88539	3.0
198.42278	2.8
201.16347	45.7
219.17392	18.7
231.05038	15.7
237.18449	4.5
249.06113	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	502.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	17.7
55.01852	13.5
55.05494	3.9
56.96560	5.5
57.03429	6.3
57.27312	2.8
61.02917	8.9
61.05103	4.4
63.72809	3.0
67.05489	14.4
68.99777	6.5
69.03421	40.1
69.07043	6.1
69.37894	22.5
69.38316	7.6
70.06569	3.9
71.04968	7.6
73.02917	16.2
79.05478	13.5
81.02976	4.1
81.03416	52.4
81.07054	27.1
83.04945	6.6
85.02895	100.0
87.00816	39.3
91.03901	4.2
91.05470	21.7
93.07024	31.1
95.04932	5.1
95.08604	19.0
97.02883	55.4
97.06531	5.3
97.62778	2.8
98.20773	5.8
99.04444	22.8
105.01849	30.4
105.07023	41.6
107.08588	36.5
109.02862	40.6
109.06514	3.7
109.10117	14.7
111.04388	3.4
117.01833	6.0
117.07018	7.9
119.08595	23.0
121.06515	4.1
121.10116	17.0
123.04457	3.3
125.06230	3.0
127.03909	71.9
129.01825	8.5
129.06996	5.4
131.08549	20.7
133.10085	21.9
135.11707	6.5
137.05995	3.3
139.14876	3.1
143.08562	3.0
145.04926	27.6
145.10110	42.9
147.02829	3.9
147.11655	10.9
157.10091	4.5
159.02878	32.1
159.11676	29.8
161.13193	8.2
171.11644	3.4
173.13234	5.8
175.14789	4.3
185.13234	4.5
201.16342	27.3
219.17418	7.2
231.04915	11.2
250.13136	3.7
289.33609	3.3
360.21609	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.05510	13.5
65.03906	3.4
67.05499	24.0
67.47265	2.7
69.03406	9.6
69.07052	13.1
69.52955	24.3
70.06570	13.3
71.04975	3.0
79.05489	31.0
81.03398	9.4
81.07053	51.0
82.06564	3.1
83.08604	3.8
84.04522	3.0
84.08123	7.1
85.02896	17.4
85.06512	5.6
86.09697	8.2
87.00806	5.4
91.05473	40.3
93.07036	74.3
95.04951	10.2
95.08603	41.4
96.08112	4.0
97.02915	4.8
97.06519	6.0
99.04420	4.7
99.08083	23.6
103.05442	4.3
105.01821	5.4
105.07021	100.0
107.08575	53.4
109.02850	8.7
109.06540	3.9
109.10158	23.0
115.05433	5.5
117.07022	26.3
119.08574	49.1
120.08087	5.6
121.10131	37.1
123.11677	4.2
127.03878	10.3
129.06967	3.2
130.07742	9.3
131.08569	48.2
133.10114	40.6
135.11678	14.5
137.05975	5.5
137.09608	5.9
137.56052	2.9
143.08493	8.9
144.09317	7.4
145.10114	98.9
145.11269	5.8
147.11664	12.3
149.13214	5.1
159.02937	3.6
159.11679	63.0
161.13237	18.3
173.13191	17.0
175.14792	10.3
180.13736	4.4
193.04958	3.0
193.15909	18.8
199.14653	3.0
201.16348	59.4
219.17392	6.9
228.33241	2.9
231.05112	4.1
235.16711	2.7
236.16687	3.2
236.20033	15.3
245.81903	2.7
254.21053	6.6
453.82785	3.0
502.13528	4.0
502.26797	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	502.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	15.2
55.01857	13.7
55.05499	18.7
56.77081	4.8
57.03433	11.9
57.07063	9.2
59.04999	4.8
61.02919	7.4
65.49708	5.4
67.05505	26.1
67.69186	4.3
69.03423	47.5
69.07063	46.3
70.06567	10.0
70.74074	11.0
70.74412	4.8
71.04984	7.7
73.02921	5.1
79.05484	36.5
81.03414	55.1
81.07052	44.7
83.04965	13.6
83.08605	8.4
84.08146	28.1
85.02905	100.0
85.06551	26.6
86.09714	5.2
87.00826	48.9
91.05486	51.0
93.07044	93.8
95.04971	23.9
95.08612	34.0
97.02888	59.9
97.06507	13.4
98.97576	8.0
99.04440	17.5
103.05465	6.6
105.01860	73.5
105.07029	89.6
107.04946	13.5
107.08600	91.7
109.02853	35.3
109.06494	12.9
109.10149	38.9
111.08089	9.3
115.05457	7.1
117.07005	31.8
118.97800	4.8
119.08578	73.0
121.06492	11.0
121.10133	65.5
122.10335	5.0
123.11668	9.3
125.09695	6.1
127.03918	81.4
130.07771	13.0
131.08543	32.4
133.10139	30.8
135.08041	8.9
135.11684	75.6
137.05940	8.6
137.09578	9.2
143.08615	10.9
145.04958	29.3
145.10118	76.8
147.07973	6.0
147.11693	27.0
149.06012	5.5
149.09566	8.4
150.10387	53.9
151.11171	18.3
157.10100	7.5
159.02869	13.4
159.08067	5.9
159.11717	51.0
161.13243	29.7
163.11165	45.4
171.11588	5.8
173.13239	12.7
175.14780	17.3
177.12785	7.4
177.16486	5.8
191.17972	19.8
199.14734	5.9
201.16386	75.1
219.17401	55.3
231.04973	26.5
236.20160	7.5
237.02803	5.1
249.06020	20.2
272.16724	4.9
284.09808	14.0
459.21918	17.2
498.62289	5.4
503.20621	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.5
55.01862	1.5
55.05520	8.1
57.03422	1.4
57.07075	1.5
58.09232	1.2
58.46997	1.3
63.48884	1.1
65.03939	2.2
67.05506	22.3
69.03421	7.5
69.07070	6.7
70.06588	2.9
70.32605	6.0
73.02893	1.1
79.05492	22.8
81.03420	3.2
81.07055	41.6
83.04550	1.4
83.04987	9.1
83.08613	4.5
85.02895	8.2
91.05477	37.7
93.07043	46.4
95.04938	6.7
95.08603	38.6
97.02863	2.3
97.06532	3.2
98.20831	1.5
99.04407	1.7
100.11259	4.4
103.05477	3.5
105.01863	4.3
105.07026	82.1
107.08590	46.0
109.02887	2.1
109.06502	4.9
109.10149	17.0
111.08097	3.9
115.05462	3.3
116.06192	1.4
117.07014	27.3
119.08578	44.8
121.06495	15.1
121.10148	24.8
123.08054	3.0
123.11691	3.6
125.09635	4.1
127.03903	5.6
128.06187	1.7
129.07004	5.4
130.07829	7.5
131.08568	46.8
133.10130	22.8
135.07936	1.6
135.11708	9.2
137.09589	1.8
137.13298	1.6
143.08556	6.0
144.09349	6.3
145.04953	2.7
145.10120	100.0
147.11687	12.6
149.09557	1.9
149.13300	7.8
157.10104	3.6
159.02948	1.4
159.11688	47.9
161.13234	17.1
163.11172	3.9
171.11728	2.5
173.13271	14.6
175.14838	9.5
177.12787	1.8
177.16400	2.3
186.14059	1.6
189.16385	2.5
191.14265	3.2
191.17932	4.5
193.05037	1.7
201.16379	70.0
210.14906	2.4
219.01514	1.3
219.13867	2.2
219.17456	7.0
236.20100	5.5
334.34265	1.6
458.21378	1.6
470.26334	1.6
502.19672	2.8
502.26910	1.8
503.25418	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	501.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01865	3.5
55.05509	65.7
57.03436	34.4
57.07075	63.8
59.04988	2.4
65.03941	2.7
65.31919	1.9
67.05499	65.6
69.03425	2.9
69.07064	88.6
69.90823	2.0
70.25052	1.9
70.85709	4.9
71.04977	4.4
71.08627	40.2
73.93638	1.7
75.04480	12.2
77.04675	1.9
79.05492	32.6
81.07053	100.0
83.04980	5.1
83.08614	68.9
83.09113	3.6
85.06547	3.7
85.10184	21.3
91.05473	6.5
93.07042	41.1
95.04963	2.1
95.08601	96.8
97.06531	18.3
97.10168	47.1
98.21516	1.7
99.08070	2.2
99.11727	3.0
101.05970	2.7
101.09671	1.9
105.07011	2.8
107.08588	23.5
109.09445	3.7
109.10155	49.1
111.08088	10.1
111.11725	13.3
113.05988	4.1
113.09630	2.7
115.06250	2.1
115.07547	5.1
119.08571	3.5
121.10135	44.0
123.11681	20.4
125.09606	9.1
125.13291	4.6
129.09120	3.5
131.07016	7.8
133.10130	2.5
135.11682	29.6
137.13229	9.2
139.11188	11.4
140.79089	1.7
143.10646	4.5
147.11728	2.5
149.13234	18.9
151.14795	4.6
153.12746	9.8
157.12180	4.0
162.89857	1.6
163.14813	9.3
167.14323	7.4
171.13834	4.4
177.16379	5.2
181.15926	5.1
185.15376	2.5
191.17921	5.4
195.17430	2.7
199.16983	2.8
205.19518	3.1
209.18962	3.3
217.19623	2.0
219.21040	3.4
223.20572	3.5
233.22621	2.6
235.20738	3.4
241.21452	2.1
255.23279	2.4
260.78421	2.0
289.28897	11.5
299.27347	5.1
300.23663	2.2
300.67563	1.9
307.29999	20.5
317.28326	12.7
335.29440	38.4
353.30545	3.7
371.31537	95.6
372.31982	2.3
403.38950	2.0
409.33087	52.8
410.33679	2.7
427.34186	71.2
428.34592	2.4
483.36713	28.6
501.37842	63.9
502.38138	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	501.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.8
55.05514	26.3
57.03436	23.1
57.07075	10.1
61.02930	70.2
64.50841	2.6
67.05510	32.1
69.03436	28.2
69.07069	39.4
69.37935	14.1
69.38361	9.2
71.01352	3.7
71.04989	7.2
71.08634	6.6
73.02917	22.8
75.04472	2.6
79.05491	13.9
81.03421	19.4
81.07057	41.6
83.08614	25.4
85.02905	59.9
85.10172	4.4
87.04478	4.2
91.03954	38.0
91.05482	4.6
92.01121	2.3
93.07040	20.7
95.04956	3.4
95.08610	35.8
97.02892	53.2
97.06533	5.0
97.10170	15.4
99.04462	11.5
101.02363	12.0
103.03958	6.9
105.06996	2.8
107.08592	15.1
109.02877	11.0
109.10146	16.9
111.04488	3.4
111.08073	3.1
111.11699	5.6
115.03968	4.4
115.61826	2.6
121.10138	23.9
123.11718	7.1
127.03918	19.7
129.05507	5.1
135.11710	13.4
137.13260	2.9
139.83614	2.7
145.04987	9.5
149.13260	9.2
157.10213	2.5
169.10942	2.8
176.90837	2.4
183.06551	4.2
201.07605	3.8
247.24152	12.9
265.25293	32.8
280.79828	3.0
303.27399	2.9
339.28940	100.0
483.32825	6.2
501.34207	16.5
511.33075	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	501.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.1
55.01858	4.8
55.05511	60.9
57.03437	27.5
57.07074	50.7
63.91071	1.9
67.05502	67.2
69.03456	2.1
69.07069	93.2
69.38998	10.5
69.39435	8.7
69.71274	1.6
71.05003	3.4
71.08631	28.8
72.39677	2.1
75.04475	8.3
79.05490	29.5
81.07056	100.0
83.04979	6.2
83.08136	3.5
83.08621	64.9
85.06547	3.9
85.10185	20.8
89.06036	3.2
91.05500	6.3
93.07051	37.4
95.04966	3.8
95.08604	95.3
97.06523	17.8
97.10163	50.4
98.20738	3.7
99.08083	4.3
99.11752	2.5
105.07044	3.5
107.08601	25.8
109.10149	40.6
111.08077	8.0
111.11737	11.8
119.08589	2.7
121.06465	2.7
121.10133	39.3
123.11714	20.2
125.09593	10.0
129.09122	3.8
131.07074	3.4
131.08595	2.8
135.11703	26.3
137.13272	8.6
139.11157	8.5
143.10706	3.1
147.11630	3.2
149.13268	10.5
151.14812	3.0
153.12769	10.0
157.12248	2.2
163.14828	13.1
167.14340	5.0
171.13864	4.2
177.16447	6.9
181.15936	5.6
185.15405	5.2
191.17990	4.9
195.17464	4.3
205.19493	4.0
209.19092	3.0
213.18454	2.4
217.19402	2.5
219.21075	2.6
219.40674	2.1
221.19019	2.9
223.20628	2.5
235.20630	2.8
237.22086	2.2
255.23274	2.1
289.28915	10.4
299.27295	3.1
307.29974	18.7
317.28320	15.9
335.29422	42.5
353.30209	4.5
360.41083	2.0
371.31555	94.4
409.33124	58.5
427.34195	71.8
428.34430	3.0
483.36807	16.4
501.31686	3.4
501.37918	66.6
502.37921	2.8
505.86951	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	501.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87586	0.3
56.96551	0.4
59.53355	0.3
61.02911	0.4
63.41935	0.3
67.05505	0.4
69.03430	0.8
69.78072	1.5
70.06589	2.3
72.08148	1.4
74.48665	0.3
79.05479	0.5
81.03418	0.8
81.07038	0.5
84.04479	0.4
84.08144	1.1
85.02904	0.9
86.09708	3.2
87.10034	0.5
91.05497	0.4
93.07055	0.6
95.08622	0.3
95.75363	0.3
97.02885	0.4
98.97594	0.5
105.07061	0.5
107.08582	0.6
109.10175	0.4
110.07171	0.4
117.03406	0.5
119.08595	0.7
120.08121	0.5
123.76076	0.4
127.03921	0.6
129.10202	0.5
130.05025	0.5
131.27774	0.3
137.06021	0.4
143.08200	0.3
147.04411	0.6
153.05566	0.3
161.02899	0.4
167.02129	0.3
167.44379	0.3
173.93198	0.3
177.05516	1.1
187.04596	0.3
193.05038	1.2
203.02228	0.4
207.06476	0.4
210.25388	0.3
213.15961	0.7
214.16502	0.6
220.03610	0.4
223.02390	0.4
223.05875	0.5
253.07155	0.9
325.03241	0.4
347.09555	1.3
349.11169	0.9
355.17252	2.9
439.19479	0.5
457.20377	0.7
501.23138	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.282
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95771	0.5
62.07705	0.6
63.37342	0.5
67.05493	0.9
69.38644	4.4
79.41510	0.6
81.07066	1.2
88.73895	0.5
93.07040	1.0
95.06089	0.8
105.59283	0.7
107.08564	0.6
147.04338	0.7
323.38489	0.6
501.28186	100.0
502.28391	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1602
Annotation	Haploperoside C
Peak:m/z	Relative Intensity
52.63462	0.2
60.66893	0.2
64.02392	0.2
64.22404	0.2
67.01859	0.6
68.99787	0.2
70.06577	0.6
70.84860	0.2
70.85184	0.5
71.04986	0.9
74.04595	0.2
77.77719	0.2
81.52852	0.2
84.08108	0.3
85.02901	1.7
90.10784	0.2
98.02341	0.2
108.00073	0.2
109.02874	0.4
125.05974	0.4
127.03928	0.4
129.05472	0.6
147.04419	0.6
151.03902	0.4
153.01788	0.6
169.04965	0.3
193.04956	100.0
194.05258	1.2
302.44989	0.2
355.10159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46758	0.1
57.03422	0.7
67.01861	0.5
67.05512	0.2
68.99765	0.3
69.60040	0.5
69.60453	0.6
70.06602	0.8
70.53853	0.1
71.04990	4.3
71.32536	0.2
71.54796	0.2
72.08134	0.3
75.04475	0.2
81.03395	0.3
83.04987	0.2
84.04483	0.2
84.08142	0.3
85.02903	5.1
86.09694	0.6
87.04475	0.2
91.05493	0.2
91.16251	0.1
95.08647	0.3
98.21575	0.2
114.06643	0.2
119.08545	0.2
123.08041	0.2
125.06013	0.3
127.03919	0.2
129.05467	1.2
129.10223	0.2
130.00359	0.2
147.04390	0.7
147.06548	0.2
151.03845	0.2
153.01767	0.4
169.05000	0.4
177.05440	0.2
186.12944	0.2
193.04961	100.0
194.05301	0.5
313.18192	0.2
313.60406	0.2
355.10233	10.1
358.75598	0.2
457.20316	0.6
461.45853	0.2
483.17764	0.2
501.19067	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1369
Annotation	Epigallocatechin 5,3',5'-trimethyl ether 3-O-gallate
Peak:m/z	Relative Intensity
50.24894	0.6
52.22566	0.6
53.03943	1.2
55.01873	0.8
55.05507	1.0
56.96571	1.0
58.58236	0.6
61.02926	0.7
62.93861	0.6
67.05508	2.2
69.03425	3.7
69.07070	1.4
70.06589	6.3
70.72478	0.7
70.72818	1.6
71.05001	0.7
72.08140	1.5
73.02933	0.9
74.06074	0.7
78.27001	0.7
79.05493	1.8
80.63744	0.6
81.03418	4.1
81.07033	3.2
82.06582	0.6
83.04962	1.3
83.08627	0.8
83.28182	0.6
84.08145	2.6
85.02898	5.2
86.09717	2.3
91.03902	0.6
91.05482	2.8
93.07035	2.9
95.04962	2.0
95.08605	3.1
97.02879	2.4
97.06532	1.1
98.97605	0.9
99.04466	1.0
105.07030	3.0
105.26502	0.7
107.04945	0.9
107.08601	2.2
109.02872	2.0
109.06506	1.6
109.10155	2.3
110.09705	0.9
111.04451	0.6
111.08024	0.8
117.07034	0.9
119.08574	2.4
120.08089	0.9
121.06498	1.0
121.10172	1.9
123.04397	0.7
125.09678	1.2
127.03930	2.1
129.10214	1.1
131.08553	1.0
133.10135	1.0
133.61626	0.6
135.04451	0.8
135.11636	1.3
136.07581	0.9
137.05997	2.9
137.09686	0.7
145.02840	1.5
145.10123	1.1
146.04500	3.1
147.04402	2.1
147.11691	1.1
159.11629	0.7
161.05991	1.0
161.09639	1.0
161.13197	0.6
162.41606	0.7
163.03928	2.0
163.07567	0.8
174.98750	0.6
175.07545	0.7
177.05505	2.3
177.12743	0.8
185.04198	4.3
187.07579	1.2
189.16641	0.6
190.53415	0.7
193.05022	1.1
217.15985	1.2
235.16942	2.1
243.09177	0.7
253.18086	0.7
254.39583	0.7
256.11304	0.6
258.13431	1.5
258.18546	0.9
339.08392	49.4
340.08929	0.7
380.11032	0.7
381.09399	0.8
403.17300	1.2
457.24591	1.5
475.26987	0.7
483.12491	1.2
501.13644	100.0
501.22214	8.3
502.14203	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41570	0.6
55.05494	1.9
57.07068	1.4
58.06597	22.2
60.04531	4.0
67.05499	5.8
69.07059	6.6
71.60964	0.7
71.93260	0.7
72.08147	1.4
79.05489	3.5
79.89417	0.6
81.07053	9.8
82.73615	0.7
83.04979	3.9
83.08621	1.6
87.99232	0.6
90.38253	0.6
91.05466	3.2
93.07039	4.5
95.04958	0.7
95.08598	16.3
97.10156	1.7
97.89368	0.7
98.44067	0.7
100.07618	6.3
102.22436	0.6
105.07022	5.4
107.08582	6.6
109.10147	10.1
111.11678	0.9
117.07048	0.8
119.08572	8.6
121.10155	8.3
123.11685	2.9
129.07014	1.0
129.60797	0.7
131.08533	3.9
133.10147	4.5
135.11699	6.0
137.13251	5.0
145.10117	5.1
147.11697	4.6
149.13295	3.7
149.14326	0.9
157.10146	0.8
159.11662	4.5
161.13246	4.4
163.14818	1.9
171.11662	1.4
173.13272	2.8
175.14819	2.3
177.16417	0.9
185.13190	1.1
187.14766	4.2
189.16367	1.8
191.18005	1.7
199.14813	0.8
201.16376	2.8
203.17935	1.8
205.15776	0.8
213.16367	0.9
215.17937	5.8
217.19554	1.3
219.17557	1.1
229.19493	2.0
233.19046	0.8
236.14838	0.7
241.19441	0.8
259.56378	0.7
325.28867	3.3
343.29971	1.0
389.15622	0.7
423.36124	1.6
441.37238	9.8
500.40930	100.0
501.41336	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	500.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.4
57.07077	1.6
58.06598	24.2
60.04535	4.1
67.05503	6.8
69.07069	7.0
69.58852	2.6
69.59284	2.4
72.08157	1.3
79.05489	3.6
81.07055	13.3
83.04982	7.4
83.08625	2.1
85.06554	1.0
91.05482	3.6
93.07033	7.8
95.04945	0.8
95.08604	19.1
97.10183	1.1
100.07617	6.3
105.07027	6.6
107.08580	8.7
109.06531	1.2
109.10155	11.3
111.08070	1.1
111.11698	1.2
117.07035	1.5
119.08571	9.6
121.10140	10.7
123.08055	0.7
123.11697	3.5
131.08592	4.4
133.10130	8.2
135.11700	8.5
137.13242	5.1
143.08511	1.0
145.10153	4.6
147.11661	5.7
149.09685	0.7
149.13248	4.3
157.10159	1.3
159.11687	4.3
161.13234	6.3
163.14880	2.2
165.12854	0.7
171.11725	1.3
173.13269	3.7
175.14899	2.8
177.16458	0.8
185.13338	2.0
187.14819	5.0
189.16422	2.2
191.17926	3.7
201.16391	3.2
203.18007	1.5
213.16440	1.5
215.17996	3.6
217.19476	1.4
219.17441	0.9
229.19530	1.7
241.19707	0.9
243.21178	0.9
255.21152	1.3
257.22629	1.0
269.22583	1.0
325.28943	3.4
343.30222	1.5
367.30038	0.8
408.34009	0.8
423.36041	3.1
426.34564	1.0
441.37296	10.2
444.35464	0.8
500.41083	100.0
501.41788	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	501.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10078	0.2
55.05499	0.4
56.05013	0.4
56.46599	0.2
61.02905	0.2
65.15448	0.2
67.05486	0.3
69.03429	1.2
69.03723	0.2
70.06595	1.9
71.59306	0.3
72.08132	0.6
81.03423	1.1
81.07028	0.7
83.04942	0.3
84.08104	0.9
85.02907	1.4
86.09696	1.5
87.00829	0.3
89.03881	0.3
91.05490	0.4
93.06979	0.2
95.08583	0.2
97.02853	0.8
97.06483	0.3
98.97547	0.2
99.04388	0.3
103.05449	0.2
103.44167	0.2
105.07007	0.4
107.08564	0.3
109.02856	0.5
109.10117	0.3
116.04871	0.2
116.98583	0.3
117.03307	0.7
119.08568	0.3
120.08074	0.4
123.04390	0.3
127.03879	0.9
129.10225	0.4
133.10191	0.3
135.04378	1.1
136.05237	2.2
137.05940	0.5
145.02859	1.1
145.04866	0.3
146.03569	0.5
147.04405	0.6
147.11696	0.3
149.05965	0.2
151.03766	0.4
154.99632	0.3
163.03853	1.0
164.04669	0.8
172.03882	0.5
177.05472	1.9
192.04195	2.6
193.04887	1.4
195.02890	3.1
204.06580	0.6
207.06520	1.5
220.03676	17.0
223.02365	41.1
224.02753	0.8
235.05981	0.4
236.06754	0.4
238.04707	20.5
239.05190	0.5
253.07063	100.0
254.07370	1.5
309.07489	0.4
339.08255	0.5
415.12268	1.2
457.20395	0.4
483.11472	0.4
501.12936	0.8
501.19427	1.9
502.13235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26170	0.5
55.05500	0.9
56.01508	0.4
67.05508	1.4
69.07078	1.2
71.59404	0.6
71.59867	0.6
73.02885	0.5
75.27168	0.6
79.05484	0.9
81.07057	1.6
95.08575	1.1
106.22916	0.5
107.08593	0.5
118.01666	0.5
120.96648	1.4
124.33186	0.5
127.02964	0.5
158.70105	0.5
164.00807	1.8
195.00551	0.5
203.05312	0.8
298.38788	0.6
317.21814	0.8
337.27481	0.9
457.23218	2.0
499.28748	100.0
500.28659	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	499.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64536	2.4
53.03941	9.5
55.01865	7.0
55.05515	24.5
57.03437	36.2
57.07068	11.2
61.02643	5.5
61.02930	79.4
65.03931	3.8
67.05510	96.4
69.03435	43.1
69.07071	40.7
69.35085	27.8
71.01368	3.3
71.04984	5.9
71.08634	5.8
73.02919	37.2
79.05495	37.7
81.03431	25.8
81.07063	100.0
83.04992	6.1
83.08623	25.7
85.02419	5.5
85.02908	73.9
87.04477	6.2
91.03955	54.1
91.05487	23.9
93.07050	40.0
95.04966	7.7
95.08608	78.2
97.02893	65.1
97.06527	8.2
97.10153	17.5
99.04450	12.3
101.02372	12.8
103.03950	12.9
105.07033	20.6
105.11768	2.8
107.04969	3.8
107.08588	22.2
107.49024	2.7
109.02876	11.5
109.06499	3.6
109.10167	30.8
111.08100	2.8
115.03919	7.4
117.07004	4.9
119.08590	13.4
121.10143	21.0
123.08035	3.7
123.11727	17.6
125.09634	3.5
127.03909	28.0
129.05484	8.0
131.08527	5.3
133.10123	11.7
135.11708	12.7
137.13269	6.8
145.04936	13.1
145.10135	9.3
147.07906	3.3
147.11705	11.1
149.13232	9.6
151.11148	3.0
161.13266	10.1
163.14825	9.4
175.14861	8.3
183.06573	7.6
187.14862	3.4
201.07428	3.4
201.16435	3.0
245.22699	10.2
263.23672	26.8
337.27365	99.0
365.26785	6.0
371.25851	7.3
389.26938	3.3
481.31094	5.8
499.32565	23.9
499.38998	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	498.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.5
55.05509	1.7
56.56021	0.2
57.03430	6.3
57.07047	1.1
58.06593	26.9
59.04965	0.4
59.07373	9.2
60.04503	0.4
60.08156	8.5
60.30040	0.2
65.03919	0.3
67.05499	5.3
69.07060	2.2
70.66846	0.6
71.08609	0.9
73.02883	0.9
75.04109	0.2
75.04469	3.8
79.05481	1.6
81.07053	3.6
83.08582	1.0
84.08107	0.3
85.02895	2.1
87.03981	0.4
87.04456	4.5
88.03973	1.5
88.46324	0.3
89.05985	0.6
91.05454	0.7
92.25594	0.3
93.05499	0.6
93.07005	1.0
95.08601	3.6
97.10134	0.5
98.98440	0.6
100.11235	0.2
101.05952	0.3
102.05522	0.5
103.03929	0.8
105.05471	0.7
105.06994	0.6
106.04993	0.7
107.08546	0.8
109.10116	1.1
113.05988	0.6
119.08506	0.2
123.11684	0.4
124.93723	0.5
130.58458	0.3
131.07028	2.3
133.08551	0.5
133.10091	0.4
135.11610	0.3
144.10187	7.7
153.01172	0.3
155.00987	0.8
155.06866	0.3
162.11243	4.4
167.97951	0.7
200.12860	0.5
218.13965	0.6
236.14896	100.0
237.15215	1.0
303.24475	0.3
313.27274	1.8
393.24271	0.4
436.37753	0.6
437.20435	1.5
480.36792	21.3
481.37289	0.4
498.37836	61.5
499.38190	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01864	1.4
55.05505	5.7
56.96562	1.5
57.03440	6.3
57.07042	1.0
59.05009	1.4
61.02908	2.8
62.27812	0.9
64.58633	0.9
67.05500	29.6
69.03419	2.6
69.07066	6.8
69.39808	4.1
69.40237	4.7
70.06573	1.4
71.04986	8.6
71.24166	0.9
73.02902	1.0
79.05494	10.2
81.03427	1.6
81.07053	47.5
83.04971	2.6
83.08620	6.1
85.02900	6.1
85.06534	6.5
86.09666	1.6
91.03958	1.4
91.05473	10.1
93.07043	17.6
94.85029	0.9
95.04965	2.1
95.08611	5.9
97.02885	3.2
97.06513	4.6
97.10168	1.4
98.21458	1.6
98.97567	1.2
99.08076	3.3
105.01860	1.2
105.07011	6.0
107.08597	7.8
109.06498	1.8
109.10149	3.2
111.08078	1.8
111.11704	2.7
117.07004	5.9
119.08524	1.8
121.10097	3.0
123.11709	9.0
127.03910	1.5
127.64349	1.0
129.12730	1.8
131.08530	4.5
133.10133	9.5
135.11674	4.1
149.13263	9.9
151.11159	3.8
155.14354	2.2
156.39522	1.0
159.11691	20.7
161.13248	2.3
169.12328	1.2
177.11195	1.8
177.12744	34.6
179.14317	6.2
187.13303	4.3
195.13742	6.1
225.19835	0.9
233.15250	1.0
243.15915	33.4
244.75998	1.1
246.47089	0.9
251.16422	13.0
269.17468	100.0
301.20078	14.8
313.11932	2.1
338.82736	1.0
373.13934	4.7
445.24384	7.3
473.13019	1.1
499.21753	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14310	2.7
53.50483	2.1
54.15009	2.1
56.51003	2.2
71.58897	2.8
71.59281	2.8
81.03400	2.8
82.99879	2.7
90.12884	2.1
100.33561	2.3
101.00871	6.4
103.02418	3.8
104.08112	2.3
109.02874	2.4
119.01911	31.9
124.05981	2.6
127.02427	5.3
131.01898	19.4
137.02945	6.0
143.01872	17.6
145.03459	45.2
147.01421	3.7
147.05051	2.3
149.02971	9.3
155.01894	22.1
157.03442	17.8
161.02943	31.3
163.04486	7.8
167.01862	7.7
167.98468	2.2
169.03427	3.9
171.01401	6.9
171.04979	5.0
173.02956	53.7
175.04517	6.8
184.92870	2.5
185.02948	44.8
187.04575	4.6
189.00778	2.9
189.02440	8.4
197.02927	19.5
199.00873	3.4
199.04446	3.5
201.02425	5.7
203.03957	15.0
209.03134	3.1
215.04071	13.9
217.01909	45.7
217.05447	2.6
221.05043	5.1
227.03992	10.0
229.01883	9.1
235.02986	32.2
245.05063	100.0
247.02917	12.1
253.03990	3.5
257.05038	12.9
263.06168	15.2
265.04108	5.5
275.06067	13.1
277.04031	25.7
279.03885	2.9
293.07092	4.8
301.03897	8.9
305.07111	12.0
319.05103	25.6
335.08203	5.7
337.06058	33.3
365.09262	11.0
499.11252	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	28.5
56.34663	8.9
56.96576	12.4
57.03432	23.2
57.07072	14.8
57.37486	7.9
59.04991	26.5
61.02909	14.1
67.05500	37.7
69.03423	37.2
69.07064	57.3
70.06593	27.6
70.84698	16.8
71.04993	21.1
71.08660	7.9
71.73321	8.5
73.06541	14.8
75.90376	7.8
79.05496	20.7
81.03405	33.0
81.07071	65.3
84.08115	12.5
85.02914	85.2
86.09695	23.3
87.00827	35.9
87.04457	46.6
91.05450	18.2
93.07043	30.7
95.04973	10.6
95.08596	18.4
97.02908	45.3
97.06541	8.5
97.10165	13.0
99.04463	10.5
105.01886	65.4
105.05506	48.3
105.07018	21.1
107.08594	18.7
109.02854	36.3
109.10153	22.8
110.07124	10.5
111.11716	36.1
119.08560	10.9
120.67020	9.0
121.06519	11.1
121.10210	15.0
123.11737	12.5
127.03923	77.2
127.11214	71.3
129.10236	10.5
129.12772	82.9
131.08585	10.5
133.10139	13.7
134.99745	9.7
145.04970	21.9
145.12129	10.1
149.13268	11.9
157.10181	10.2
159.11742	9.9
163.03995	11.1
167.06999	9.7
177.12747	28.2
184.90512	8.6
213.03899	10.2
215.16440	10.5
231.05099	22.8
233.17473	11.6
243.15912	34.4
255.11293	15.7
256.95511	9.5
269.17487	100.0
301.11908	13.0
313.11902	21.6
334.14999	9.3
358.52994	8.8
373.14066	39.3
475.13235	10.2
498.20227	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	497.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
55.05495	1.0
62.44819	0.6
64.81693	0.6
67.05489	1.4
68.56644	0.5
69.03407	1.7
69.49499	3.3
69.49905	1.1
70.06568	2.9
71.04975	0.7
72.08154	0.6
80.79156	0.5
81.03426	2.8
81.07024	0.6
84.04489	1.0
84.08143	1.4
85.02885	1.5
86.09705	2.3
91.05474	1.5
95.04960	7.4
95.08601	0.8
99.04462	1.3
105.07007	0.8
107.08613	0.9
109.90481	0.6
110.07146	1.2
119.01909	0.7
119.08613	0.7
121.10129	0.7
121.74100	0.5
127.03938	0.8
129.10239	0.9
131.08571	1.3
136.07549	0.9
143.37836	0.5
155.03413	0.9
155.38083	0.6
164.58574	0.5
168.99727	0.5
173.07227	0.6
177.05385	0.6
191.08136	7.2
193.05057	0.8
231.13556	1.0
245.06305	1.1
249.14580	1.7
270.04163	0.5
271.04187	1.2
275.09482	0.5
289.05273	6.0
303.05066	1.6
307.12833	0.8
320.96100	0.7
323.05621	0.7
325.13522	0.6
335.04150	0.7
351.16528	1.0
369.17416	0.7
393.13043	1.2
395.16785	0.6
411.19827	7.7
435.19696	2.0
453.20935	26.6
453.27386	1.3
454.21429	0.8
479.18616	2.2
497.19922	100.0
498.20047	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	497.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41310	1.0
53.03943	9.1
53.78340	1.0
55.01866	6.0
55.05256	1.9
55.05508	23.1
57.03436	36.2
57.07064	3.6
59.04997	1.5
61.02924	68.1
63.47340	1.1
65.03933	3.3
67.05504	92.5
67.65157	1.0
69.03428	44.8
69.03812	2.3
69.07062	21.1
71.01357	6.8
71.04995	6.3
73.02914	32.1
75.04475	3.0
76.80035	1.2
79.05490	60.8
81.03416	27.0
81.07053	100.0
83.04977	7.4
83.08617	10.3
85.02902	70.7
85.06522	3.4
87.04472	3.9
91.03954	44.0
91.05476	46.9
93.07040	68.1
95.04966	9.9
95.08602	77.7
97.02886	61.2
97.06517	6.2
97.10153	5.3
98.20692	2.4
99.04443	13.3
99.08063	2.0
101.02374	14.3
103.03922	7.3
105.07024	33.8
107.04937	3.8
107.08590	40.1
109.02875	13.8
109.06532	5.2
109.10151	33.0
111.04424	3.9
111.08066	3.6
113.06037	1.5
113.09600	1.4
115.03935	5.8
115.05498	1.7
117.04754	1.0
117.05503	3.6
117.07001	12.9
119.04978	1.3
119.08571	26.6
121.06466	2.4
121.10136	32.7
121.30811	1.1
123.08044	4.1
123.11704	11.7
125.09616	2.3
127.03910	25.3
128.06255	1.4
129.05484	6.1
129.06985	5.6
131.08562	21.6
133.06470	2.2
133.10133	21.7
135.08046	3.0
135.11682	20.8
137.05998	1.5
137.09589	3.5
137.13258	4.4
139.11214	1.3
141.05461	1.2
143.08554	5.8
145.04932	8.9
145.10124	16.6
147.07993	2.1
147.11676	14.2
149.09665	3.5
149.13271	12.4
151.11150	2.2
155.08569	3.1
157.10127	3.4
159.06566	2.3
159.08009	1.6
159.11682	12.6
161.09625	2.3
161.13251	12.5
163.11217	2.3
163.14766	6.0
165.12827	2.0
167.08557	2.1
169.10092	3.2
171.06540	1.8
171.07944	1.4
171.11700	3.8
173.09586	1.2
173.13243	11.9
175.11073	1.3
175.14842	4.0
177.12732	2.3
177.16364	1.9
183.06566	5.6
183.11655	1.9
185.13219	2.7
187.11194	1.7
187.14771	7.0
189.12662	2.0
191.14362	2.3
197.13203	1.8
199.14859	4.3
201.07599	2.1
201.16428	2.1
203.14311	1.5
205.15834	2.4
211.14925	1.5
213.16432	1.3
215.14278	1.2
217.15900	1.1
241.02167	1.1
241.19568	1.4
243.21014	5.8
250.08829	1.1
252.31561	1.1
259.20560	3.9
261.22134	22.7
273.22009	2.7
277.21771	1.5
285.21912	1.4
289.21606	2.6
301.21567	2.3
303.23077	3.9
313.21500	1.5
315.23218	2.3
317.24686	2.5
327.23105	2.4
333.24277	1.6
335.25793	78.5
336.26044	1.5
345.24277	1.7
351.23019	1.8
363.25345	4.1
369.24289	4.7
387.25171	2.5
393.26379	1.4
405.26346	1.5
419.27640	1.5
443.27954	4.1
461.28900	4.4
479.30243	5.9
497.31018	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	497.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.0
55.01860	6.7
55.05508	10.9
57.03432	9.3
67.05499	24.6
69.03423	52.9
69.07066	9.5
70.06578	6.8
70.94800	11.6
70.95145	8.0
71.04970	6.6
73.02911	9.5
78.83142	6.6
79.05502	12.2
80.80591	6.7
81.03400	60.0
81.07050	24.8
83.04967	12.6
85.02896	93.5
87.00807	35.0
91.05471	6.6
93.07034	19.1
95.04942	10.8
95.08598	13.5
97.02905	35.0
99.04458	12.1
100.11243	6.9
105.01865	27.4
105.07019	10.8
107.08574	5.5
109.02862	59.5
109.10159	10.0
111.04433	7.5
119.08544	8.9
121.10124	8.1
123.04411	12.2
125.02351	13.5
125.41930	6.4
127.03905	100.0
133.10181	8.6
136.79466	5.9
145.04932	11.8
151.03836	12.9
157.78604	6.4
159.02934	10.7
159.11719	7.0
169.05013	12.4
173.09531	5.8
187.05960	7.9
189.03958	13.6
193.04922	7.7
213.03864	8.8
231.05046	17.8
255.05199	7.5
273.06134	32.5
299.24341	7.4
390.78848	7.0
497.23984	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.2
56.05034	0.6
57.03430	0.3
57.07077	0.7
58.06633	0.4
60.08160	6.3
67.05498	0.3
69.07079	0.2
71.07365	2.9
71.07746	0.2
71.08617	0.3
71.35665	0.2
79.05443	0.1
81.07048	0.4
83.08604	0.2
85.10174	0.3
86.09699	29.7
87.10043	0.1
88.29591	0.1
89.76035	0.1
95.08604	0.4
97.10158	0.1
98.98454	3.0
104.10741	3.1
121.54279	0.1
124.99995	21.1
143.01044	0.3
158.23981	0.1
184.07327	100.0
185.07620	0.6
255.38799	0.1
313.27310	0.3
478.33038	1.0
496.33966	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
54.24429	0.3
55.01852	1.0
55.05493	0.6
60.04516	0.3
61.02896	0.3
62.08643	0.3
65.03918	0.9
67.05499	2.0
68.36710	0.3
69.03405	1.2
70.06568	1.6
70.91317	1.0
72.08135	0.9
81.03403	0.9
83.04974	1.5
84.04508	0.3
84.08142	0.6
85.02889	0.5
86.09686	1.5
91.05458	0.5
93.03387	0.8
93.77766	0.3
95.04955	3.9
95.68185	0.3
105.03407	0.3
109.02871	0.4
109.25780	0.3
110.07130	1.1
111.04415	1.0
121.02827	1.2
123.04418	1.0
125.08338	0.5
127.03844	0.6
129.10234	0.6
133.02815	1.1
136.07494	0.7
137.02301	0.6
139.03859	0.5
141.06779	0.4
143.42548	0.3
147.04419	0.4
149.02339	0.3
151.03848	0.4
153.06924	0.4
155.08522	0.8
159.04317	0.3
159.35474	0.3
161.02292	0.4
163.03934	2.3
163.05138	0.4
165.06976	11.7
168.05664	0.4
169.06416	0.9
173.04207	0.5
176.06200	0.7
177.05550	0.5
177.06998	1.2
179.03421	0.6
183.07959	0.7
187.03889	1.2
192.05757	0.4
193.06461	11.4
195.07991	0.3
197.06018	1.5
203.04909	1.0
205.06471	2.3
210.06749	0.5
211.07500	4.3
219.01616	0.4
221.05942	36.9
223.07524	1.0
225.05405	2.1
231.04428	0.9
233.05960	1.0
237.05399	0.4
238.06134	0.6
239.07004	8.1
249.05435	48.2
250.06201	1.8
251.07057	1.8
253.04939	1.1
259.03867	2.8
262.03796	0.4
266.05722	1.2
267.06476	9.1
277.04922	21.6
278.05511	0.9
279.06519	5.3
281.04471	0.4
294.05249	0.4
295.05966	73.0
296.06345	1.1
297.07507	1.2
305.04404	4.9
307.06131	1.8
317.11407	0.4
323.05450	100.0
324.02328	0.4
324.05789	1.4
335.12180	0.5
347.07397	0.7
365.08542	0.4
497.10745	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	496.3394
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.68195	0.2
55.05501	0.4
56.05032	1.2
57.03420	0.6
57.07069	3.1
58.06573	1.3
59.07388	0.3
60.08158	16.6
64.07929	0.2
65.84983	0.2
67.05490	0.6
68.58765	0.2
69.07056	0.4
70.02863	0.9
70.06570	0.2
71.07368	6.9
71.08622	2.1
81.07053	0.8
83.08615	0.5
85.10184	0.9
86.09698	50.4
87.10030	0.2
94.09704	0.1
95.08592	1.2
97.10136	0.4
98.98458	3.5
104.10734	100.0
105.11069	0.6
109.10126	0.5
124.99994	28.0
139.20045	0.2
143.01054	0.6
163.01590	0.6
165.10933	0.1
166.02704	0.2
184.07321	98.0
185.07652	0.7
225.12372	0.2
258.11050	1.4
313.27350	1.7
385.52435	0.2
386.03961	0.2
411.05707	0.2
419.25394	0.4
468.52991	0.2
478.32892	8.4
479.33325	0.2
485.99890	0.2
496.33939	26.6
497.34341	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01855	1.2
55.05505	3.1
56.96556	1.0
57.03418	2.3
57.07064	1.2
61.02929	3.9
61.44748	0.5
67.05497	2.5
69.03424	8.7
69.07060	2.0
70.06592	2.9
70.25275	2.4
70.25610	0.6
71.04980	1.2
71.13766	0.6
72.08155	1.0
73.02907	1.3
75.13654	0.5
79.05486	7.2
81.03417	5.5
81.07051	100.0
83.04977	5.0
83.08612	0.6
84.04488	0.8
84.08132	1.5
85.02898	50.4
85.50504	0.5
86.09704	1.7
87.04476	0.7
91.03950	2.8
91.05487	1.0
93.07037	1.3
94.06598	0.5
94.07322	0.5
95.04948	0.7
95.08601	8.3
97.02878	12.7
97.06537	1.0
99.04457	2.2
100.07615	5.3
100.11258	2.3
105.07015	1.4
107.08578	1.2
109.02869	6.4
109.06557	0.6
109.10177	1.6
115.03952	0.8
117.07043	0.5
119.08624	0.6
120.08070	0.6
124.07594	1.5
127.03897	14.8
129.10201	0.8
131.08580	0.7
135.11656	0.9
136.11826	0.6
137.13243	27.6
142.08621	10.6
145.04948	28.7
163.03975	0.8
163.06007	15.7
168.17554	0.7
177.16446	0.7
181.06921	0.7
182.15392	0.7
193.04945	14.2
194.05318	0.7
198.77682	0.6
210.14868	1.8
213.14870	0.5
213.18571	1.5
234.08240	0.5
257.09122	1.4
287.10321	0.5
301.08209	0.9
317.19592	1.1
325.11160	3.9
329.07770	1.4
351.13696	1.0
400.10129	1.2
452.19360	0.9
487.39120	0.6
496.18741	8.5
496.29944	0.9
497.19473	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01875	1.6
55.05496	5.2
57.03436	9.9
61.02921	2.1
67.05494	4.8
69.03422	6.9
69.07069	4.9
70.06586	10.9
70.84699	4.3
70.85071	1.4
71.04989	67.3
72.08147	4.7
73.02905	3.4
75.04469	3.5
79.05489	9.6
81.03408	3.7
81.07052	7.6
83.04972	11.3
84.08121	3.6
85.02898	100.0
85.06517	1.8
86.09693	7.0
91.05467	9.8
93.07040	48.5
95.04951	5.5
95.08607	6.8
97.02890	5.1
97.06585	3.0
99.04435	2.7
103.03840	1.6
105.07027	6.8
107.08586	56.6
109.02876	3.0
109.06506	3.9
109.10157	4.2
110.07172	3.4
111.04443	5.6
116.07040	1.6
117.07006	1.4
119.08605	4.3
121.06525	2.2
121.10145	6.2
127.03902	5.7
129.05472	36.6
129.06990	1.9
131.08568	2.7
133.06459	1.5
133.10143	2.9
135.11679	42.8
136.07607	1.7
139.07529	1.4
143.08524	1.9
145.04947	3.3
147.04402	1.6
147.06526	17.0
147.11636	1.5
149.09647	4.1
153.12732	3.4
159.11751	2.6
161.09586	1.5
163.03891	2.6
164.09190	1.5
166.08467	1.9
167.10612	3.4
171.22560	1.6
177.12756	3.3
187.11237	2.0
193.04941	19.1
209.04420	2.1
231.15833	2.5
245.15385	2.2
263.16422	2.3
297.90500	1.9
419.66153	1.4
427.72635	1.4
496.15021	1.8
497.19196	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	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78871	1.9
53.03935	3.3
55.01866	3.8
55.05511	11.0
57.03417	9.1
57.07064	3.2
61.02927	27.1
65.03930	2.1
67.05505	24.5
68.42928	1.9
69.03428	19.0
69.07054	9.2
70.06586	2.4
71.01334	3.8
71.04964	3.2
73.02907	16.9
73.24941	2.4
77.03949	1.9
79.05495	31.7
81.03417	13.5
81.07059	30.8
83.04969	6.6
83.08599	6.6
84.20245	2.1
85.02899	27.4
85.06538	2.9
91.03960	11.2
91.05480	41.0
93.07044	26.1
95.04946	8.9
95.08607	19.7
97.02892	23.8
97.06532	3.0
97.10164	2.8
99.04436	7.3
101.02338	6.8
103.03928	4.4
103.05439	4.2
105.07022	100.0
105.13032	2.1
106.07365	2.0
107.04931	6.1
107.08595	22.5
109.02854	3.6
109.06539	3.6
109.10133	7.8
111.08052	3.5
115.05424	5.1
116.06236	4.2
117.07015	27.1
119.08566	15.7
121.06522	5.2
121.10128	12.7
123.08074	3.1
123.11713	3.3
127.03901	8.2
128.06184	3.7
129.05450	3.0
129.06982	17.9
130.07777	2.5
131.04958	3.2
131.08566	93.9
133.10114	17.4
135.08041	3.0
135.11676	7.7
137.05972	2.8
141.06946	3.1
142.07779	4.3
143.08551	18.8
145.04996	2.4
145.10110	39.1
147.08020	4.1
147.11659	9.2
149.09621	8.1
149.13242	3.3
151.11169	2.0
155.08539	12.0
157.10123	15.5
159.08052	3.2
159.11696	13.1
161.05968	2.0
161.13211	6.6
163.11200	2.4
167.08539	2.1
169.10109	6.9
171.11661	7.2
173.09567	3.0
173.13326	3.0
173.31744	2.6
175.11165	2.7
181.10104	8.2
183.06537	3.0
183.11649	4.5
185.13196	4.0
187.14745	3.2
187.98515	2.2
195.11649	4.9
197.13261	4.9
199.11105	2.4
199.14777	3.9
223.14787	10.8
229.49228	2.4
259.17020	3.0
259.20456	3.9
267.72116	2.1
301.21530	4.3
333.20456	23.2
333.24234	13.4
339.22852	2.4
367.22504	4.5
385.23694	6.9
387.24921	2.4
429.26331	2.4
441.26352	9.3
446.07751	2.3
459.27307	7.8
477.28293	8.4
495.25284	7.8
495.29565	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	496.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01875	1.6
55.05496	5.2
57.03436	9.9
61.02921	2.1
67.05494	4.8
69.03422	6.9
69.07069	4.9
70.06586	10.9
70.84699	4.3
70.85071	1.4
71.04989	67.3
72.08147	4.7
73.02905	3.4
75.04469	3.5
79.05489	9.6
81.03408	3.7
81.07052	7.6
83.04972	11.3
84.08121	3.6
85.02898	100.0
85.06517	1.8
86.09693	7.0
91.05467	9.8
93.07040	48.5
95.04951	5.5
95.08607	6.8
97.02890	5.1
97.06585	3.0
99.04435	2.7
103.03840	1.6
105.07027	6.8
107.08586	56.6
109.02876	3.0
109.06506	3.9
109.10157	4.2
110.07172	3.4
111.04443	5.6
116.07040	1.6
117.07006	1.4
119.08605	4.3
121.06525	2.2
121.10145	6.2
127.03902	5.7
129.05472	36.6
129.06990	1.9
131.08568	2.7
133.06459	1.5
133.10143	2.9
135.11679	42.8
136.07607	1.7
139.07529	1.4
143.08524	1.9
145.04947	3.3
147.04402	1.6
147.06526	17.0
147.11636	1.5
149.09647	4.1
153.12732	3.4
159.11751	2.6
161.09586	1.5
163.03891	2.6
164.09190	1.5
166.08467	1.9
167.10612	3.4
171.22560	1.6
177.12756	3.3
187.11237	2.0
193.04941	19.1
209.04420	2.1
231.15833	2.5
245.15385	2.2
263.16422	2.3
297.90500	1.9
419.66153	1.4
427.72635	1.4
496.15021	1.8
497.19196	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	495.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32738	1.5
52.23610	1.7
52.41008	1.4
53.03940	3.4
53.63715	1.3
55.01863	4.2
55.05505	11.5
56.53841	1.4
57.03435	12.7
57.07085	2.1
61.02924	28.3
65.03939	3.0
67.05503	25.1
67.31625	1.4
69.03424	20.6
69.07056	9.6
70.10360	1.5
70.69582	3.1
70.69969	2.9
71.01350	2.2
71.04988	4.1
73.02612	1.3
73.02917	14.9
76.45174	1.3
79.05491	27.9
81.03421	12.9
81.07051	26.7
83.04966	7.4
83.08612	6.1
85.02898	26.5
85.06554	2.6
87.04449	2.1
91.03960	13.1
91.05478	39.6
93.07040	21.9
95.04978	9.1
95.08597	19.6
97.02888	22.1
97.06512	3.6
97.10143	2.1
99.04456	4.5
101.02367	4.1
103.03916	4.1
103.05481	2.3
105.07024	91.8
106.07312	1.8
107.04941	4.1
107.08586	18.4
109.02853	5.0
109.06497	2.5
109.10130	6.7
111.04449	2.1
111.11768	1.5
115.05454	6.1
116.06238	4.2
117.07012	24.4
119.04970	2.7
119.08583	17.0
121.06479	2.7
121.10127	12.7
123.08077	3.0
123.11742	1.7
125.09618	1.8
127.03913	10.1
128.06206	2.7
129.05385	1.8
129.06989	14.5
131.08560	100.0
133.06458	3.7
133.10147	11.0
135.08072	2.2
135.11682	6.1
137.05984	2.1
141.06981	5.5
143.08545	16.0
145.04919	3.8
145.06435	4.3
145.10120	30.5
147.08052	2.8
147.11674	7.9
149.09604	7.7
149.13289	3.0
151.07445	1.5
155.08481	8.8
157.10144	12.3
159.08078	3.7
159.11674	11.6
161.09579	1.8
161.13252	5.2
163.11150	1.9
165.06927	2.1
169.10107	6.6
171.11662	8.2
172.55162	1.5
173.09518	2.7
173.13220	4.0
179.10693	1.7
181.10107	9.7
183.11705	5.2
184.26305	1.4
185.13269	6.1
187.14737	1.9
195.11720	4.6
197.08029	1.8
197.13206	4.8
199.11101	2.1
199.14824	2.7
211.14915	2.4
213.16286	3.4
215.14267	1.6
223.14740	9.9
225.11081	1.7
231.90781	1.6
241.15845	2.5
241.19556	3.7
249.15015	1.9
257.18988	1.8
259.17032	2.6
259.20599	4.3
271.20700	1.5
283.20721	2.0
301.21640	2.4
317.29132	1.9
325.21570	2.2
333.20499	20.6
333.24283	7.2
339.23111	2.3
367.22482	4.3
375.25156	2.2
385.23804	4.7
405.26367	2.0
417.26291	1.7
441.26309	6.9
456.05096	1.7
459.27280	4.6
477.28711	7.9
495.24792	4.7
495.29349	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	495.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59122	0.4
53.03944	0.4
53.20665	0.4
56.05028	0.7
56.11534	0.3
58.06590	0.4
63.81002	0.4
67.05500	1.5
68.60335	0.4
69.03431	1.7
69.04546	0.6
69.07070	13.4
70.02957	0.6
70.06587	2.3
71.59465	0.6
72.08159	0.5
74.02418	0.4
74.84578	0.4
79.05492	0.9
81.03423	1.3
81.07063	1.4
82.06572	0.6
83.08618	0.4
84.04508	0.8
84.08137	1.1
85.02908	1.3
86.09708	100.0
87.10024	0.5
91.05466	0.9
93.07034	1.3
94.06598	0.6
95.02747	0.4
95.04993	0.7
95.08637	0.6
96.08158	0.6
97.02911	0.7
97.06542	0.7
98.09692	0.7
105.07022	1.1
106.06560	5.7
107.04957	0.7
107.08601	1.3
108.04498	1.2
108.08154	1.0
109.02937	0.9
109.04059	0.4
109.05265	6.0
109.06521	0.6
109.10191	0.7
110.06041	1.5
110.09715	0.7
111.04446	0.7
112.07616	0.7
113.10782	4.0
117.07032	0.5
119.06036	0.4
119.08600	1.5
120.04464	7.2
121.06564	0.5
122.06030	1.8
125.03526	0.5
126.09174	0.5
127.03902	1.1
127.12337	0.7
129.10233	0.5
131.11827	1.2
132.04433	2.7
132.10228	2.6
133.07635	1.5
133.10191	0.4
134.06012	11.4
136.07613	0.9
137.10692	0.7
138.05524	1.3
138.09090	0.7
139.12253	0.4
141.10229	4.7
143.11801	0.9
144.04449	0.5
145.10181	0.4
149.07129	1.3
150.05537	0.5
151.07655	0.5
151.08664	2.6
154.08691	1.6
155.11836	1.3
160.03973	1.4
161.07108	40.1
162.05498	4.7
163.03871	0.4
163.11252	0.5
165.10263	1.0
166.05028	1.4
167.03354	0.5
171.11279	3.8
173.13086	0.5
177.06595	7.9
178.05017	3.8
179.08165	2.7
183.11354	0.9
187.05028	1.1
189.06746	1.5
189.12483	0.6
190.04993	11.5
193.04961	1.9
199.10805	1.7
205.06125	3.3
206.04416	0.9
209.09320	0.8
216.03055	0.8
217.09842	0.8
219.14980	0.9
227.10255	7.7
231.11380	0.6
233.05585	10.0
234.03929	1.0
245.11185	2.5
247.09454	1.5
247.14503	1.4
251.06641	13.4
251.09128	0.7
255.11055	0.5
257.12906	3.4
264.17343	0.4
273.12378	3.0
274.15640	1.5
275.13986	3.6
285.12299	1.5
289.05588	0.7
290.15067	0.5
292.16620	2.9
301.11908	0.6
303.13403	18.5
312.19205	0.7
318.14566	2.9
329.11429	0.9
336.15460	2.4
346.13947	3.3
347.12350	3.7
354.16522	3.1
358.19708	1.3
364.15033	50.8
365.15347	0.6
367.08289	0.5
382.16147	1.5
409.18497	0.7
451.19510	1.6
467.25317	1.0
477.23502	1.5
495.18732	7.1
495.25339	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.324
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05497	2.7
56.05027	1.0
57.03414	0.7
57.34515	0.6
58.06594	1.3
60.08161	16.8
67.05491	1.8
69.07061	2.7
69.99651	2.0
70.00068	1.1
70.06608	0.6
71.07369	6.5
77.22134	0.5
79.05486	0.9
81.07047	1.7
83.08610	1.1
86.09699	50.2
93.07043	1.5
95.08596	1.2
97.10167	0.9
98.98448	3.5
104.10737	100.0
107.08652	0.7
120.08138	0.7
121.10120	0.8
124.99995	27.5
146.75839	0.6
149.02315	1.7
184.07329	99.8
184.95833	0.7
193.04959	2.4
237.07562	2.0
258.11029	1.1
284.29568	1.7
311.25797	2.2
321.51291	0.7
476.31323	8.9
494.32294	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	495.1633
Annotation	3'-Hydroxy rocagloic acid
Peak:m/z	Relative Intensity
55.05492	1.7
56.96554	5.9
57.03429	1.0
60.06580	0.8
67.05499	2.3
69.03423	1.8
69.07050	1.0
69.49475	1.7
69.49893	5.1
69.93142	0.8
70.06576	1.9
71.75401	0.8
79.05489	2.9
81.03397	1.6
81.07057	3.7
83.04973	0.7
83.08652	0.8
85.02898	1.9
85.06537	0.9
86.09696	1.4
91.05460	1.2
93.07047	3.0
95.04970	1.2
95.08582	2.5
97.02888	1.2
98.97581	5.0
99.04361	0.8
105.07028	2.5
107.04947	1.5
107.08601	1.2
108.29919	0.8
109.02892	1.0
109.06487	1.0
109.10155	2.1
116.98602	4.4
119.08643	1.4
121.10101	0.9
123.11736	0.9
127.03921	2.0
131.00224	1.3
133.01744	0.8
133.10062	1.4
134.99669	3.2
145.06474	0.8
145.33211	0.8
149.01202	1.3
151.25961	0.7
158.99658	1.6
159.03305	1.4
167.07079	0.9
173.01172	1.2
177.00667	0.9
191.02185	1.5
191.14432	1.1
195.06453	1.3
199.06047	1.9
201.00716	1.2
219.01828	0.8
223.06441	1.5
225.07886	1.2
237.02834	1.1
237.11298	2.2
244.09505	1.2
265.11130	6.6
283.12158	4.3
289.10849	4.8
305.02655	5.4
307.12109	5.6
325.13174	0.8
330.13696	0.8
331.12323	1.5
331.83521	0.8
349.13239	2.5
361.13205	1.1
409.15329	7.4
427.16418	5.3
441.30151	1.1
451.17096	15.6
459.31067	1.5
469.17410	1.7
477.32330	1.4
488.09583	0.9
495.16260	100.0
496.16531	3.5
510.71738	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.2
57.41231	0.5
60.08160	8.0
67.05504	1.0
68.00618	0.6
69.07064	1.3
69.66187	0.6
71.07365	2.6
71.59800	0.9
72.08115	0.7
79.05473	1.4
81.07045	0.6
86.09702	31.6
87.30767	0.5
89.54520	0.6
91.05499	0.6
93.07071	0.6
95.08587	0.7
98.98447	3.2
104.10727	10.2
109.10118	0.7
124.99995	21.1
129.94879	0.6
149.02324	0.8
184.07335	100.0
185.07692	1.0
335.25684	0.8
337.74808	0.6
476.31253	1.8
494.32599	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28215	0.3
56.05016	0.6
57.07070	0.4
58.06617	0.6
60.07879	0.5
60.08161	5.8
67.05480	0.4
69.07056	0.6
69.58206	1.0
69.58644	1.1
70.06566	0.8
71.07372	2.7
79.05480	0.3
81.07059	0.6
83.08629	0.3
86.09707	28.8
88.07587	0.5
93.07009	0.5
93.64366	0.3
95.08594	0.5
98.98461	3.2
102.09142	0.4
104.10744	3.1
121.10130	0.3
125.00008	20.7
143.01031	0.3
147.46423	0.3
149.02344	2.8
182.94255	0.2
184.07343	100.0
185.07852	0.3
190.96146	0.3
193.04948	3.5
203.07141	0.2
224.13597	0.3
237.07556	2.1
284.29440	1.4
476.31216	1.0
494.34753	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.3
55.05507	7.0
57.03435	5.1
57.07058	2.4
60.04515	10.6
61.02908	4.4
67.05492	7.8
67.37399	2.2
69.03438	13.6
69.07074	16.5
70.06591	12.6
71.04982	9.1
71.59972	4.5
72.08144	5.8
79.05473	9.9
81.03420	14.4
81.07053	18.9
83.06107	2.6
83.08602	5.2
84.04507	3.6
84.08135	5.1
85.02898	31.8
85.06512	3.7
86.09719	6.1
87.00806	10.6
91.05456	7.8
93.07047	16.1
95.04939	5.9
95.08602	20.5
97.02882	15.3
97.06532	15.2
99.04443	11.4
99.08057	2.8
105.01846	9.7
105.07013	9.3
106.11168	2.5
107.08591	19.6
108.62682	2.3
109.02859	9.5
109.06506	8.8
109.10156	15.7
115.07561	4.0
116.98554	3.6
119.04951	2.5
119.08578	18.4
120.08068	2.5
121.06476	2.6
121.10149	9.3
123.08011	7.4
123.11716	15.2
127.03915	18.7
127.11217	3.7
131.08540	4.3
133.10112	26.4
135.08060	3.0
135.11699	23.3
137.05968	4.1
137.09636	4.8
139.11156	4.1
145.04950	9.5
147.11688	5.1
149.13243	8.8
151.07559	4.2
159.02919	4.1
165.12817	3.7
175.14824	41.1
177.16403	4.7
187.58334	2.4
193.04941	38.3
193.15880	48.9
211.16927	100.0
231.04880	4.8
332.27869	7.2
371.12344	3.0
476.30981	3.3
494.18561	4.5
494.32730	14.0
495.17517	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	494.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.9
53.03948	14.6
53.92968	2.7
55.01864	13.9
55.05503	11.6
55.09128	2.8
56.05037	5.3
56.96551	4.3
57.03437	60.2
60.04516	7.2
65.03931	3.8
67.05160	4.2
67.05499	35.2
68.99781	3.5
69.03431	38.7
69.07053	7.1
69.80569	2.7
70.01390	2.8
70.06593	100.0
71.04996	22.5
71.59238	3.7
72.08147	12.4
73.02929	14.6
74.06091	4.0
79.05491	51.4
80.05817	3.4
80.35254	3.0
81.03425	46.7
81.07059	28.8
83.04970	13.8
83.06099	2.9
84.04496	11.2
84.08151	34.3
85.02902	51.6
85.06551	5.4
86.09709	29.7
87.00854	16.7
87.04459	9.7
87.05598	5.6
88.04012	4.3
89.19446	3.1
91.05485	87.4
93.07043	66.3
95.04969	17.5
95.08607	50.7
97.02897	29.5
97.06516	7.5
98.06066	4.8
98.97574	3.6
99.04453	11.7
101.02369	3.8
103.05441	5.2
105.01878	10.6
105.07026	46.1
107.04942	6.1
107.08591	31.8
109.02888	27.1
109.06527	23.6
109.10151	9.0
110.07157	9.8
115.05434	7.0
116.07083	8.7
117.01826	4.0
117.06997	24.2
119.08575	48.2
120.08121	16.6
120.08865	3.9
121.06501	70.9
121.10152	11.6
123.08067	83.5
124.20615	2.8
125.02350	2.7
126.09203	2.9
127.03926	27.5
129.01828	4.7
129.07004	10.0
129.10266	22.0
131.08569	9.5
133.06497	8.7
133.10109	10.6
134.04355	3.1
135.08029	15.1
135.11678	3.8
136.07608	3.8
137.05974	7.4
137.09607	41.4
139.11182	4.4
141.10249	3.2
142.07788	8.5
143.08562	3.2
145.04982	9.1
147.11696	16.1
149.09631	4.8
151.07591	5.9
151.11143	5.0
153.09096	13.0
155.11780	4.6
157.10072	6.0
159.02907	11.4
163.11235	4.2
175.11179	74.7
177.05435	4.3
177.12741	13.9
183.15021	4.6
187.07448	3.9
193.12248	81.0
195.13773	18.6
205.08672	3.3
210.14940	5.0
211.13148	6.2
213.12390	25.0
213.14149	3.5
231.04874	4.0
237.92763	3.5
264.17065	4.2
315.57172	3.2
441.17657	41.3
494.18887	4.8
494.29602	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	494.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69207	3.5
51.76800	3.1
53.03946	10.4
55.01876	14.3
55.05506	6.5
56.05042	5.3
56.96560	5.8
57.03181	5.8
57.03437	59.5
60.04521	9.7
61.02898	4.8
67.05502	34.3
68.99779	5.6
69.03425	37.9
69.07074	7.8
69.97262	12.8
69.97674	6.7
70.02975	4.3
70.06590	96.1
71.04996	21.8
71.78344	3.4
72.08148	8.7
73.02919	14.5
74.06033	3.9
79.05486	43.4
81.03419	51.8
81.07064	27.5
83.04987	13.5
84.04510	10.1
84.08145	29.2
84.96013	3.9
85.02905	43.8
85.06518	4.9
86.09704	37.8
87.00830	16.8
87.04482	6.8
88.03977	4.2
89.48328	3.5
89.77869	3.6
91.05473	66.1
93.07044	64.7
93.56814	3.4
95.04990	21.4
95.08611	45.7
95.56583	3.6
96.05307	3.5
97.02900	26.4
97.06535	9.5
98.06074	4.7
99.04446	13.3
102.05590	3.5
103.05484	5.0
105.01878	15.5
105.07030	41.2
105.62988	3.5
107.04943	8.9
107.08593	26.0
109.02876	26.2
109.06510	18.2
109.10161	6.3
110.07176	9.2
111.08134	6.1
115.05449	9.7
116.07102	9.8
116.98631	4.2
117.07005	22.0
118.05032	3.8
119.04897	3.6
119.08580	48.7
120.08100	17.4
121.06511	83.2
121.10138	12.2
123.08067	80.2
124.44786	4.0
127.03910	26.3
129.06999	8.7
129.10208	26.3
130.06509	4.2
131.08621	8.2
133.06480	9.1
133.10155	13.8
135.08051	14.3
136.07574	7.8
137.06004	5.1
137.09642	34.2
139.11195	8.6
142.07788	5.2
145.04977	8.4
145.10112	4.0
147.08020	5.0
147.11688	19.2
149.09673	7.7
151.11182	3.8
153.09114	11.7
157.10027	3.8
157.15814	3.8
159.02879	9.9
163.03906	4.1
163.11174	4.2
169.41881	3.8
173.12834	4.2
175.11177	83.0
177.12712	17.0
193.12236	100.0
194.12578	5.1
195.13846	21.5
195.62140	3.5
211.13254	5.1
213.12354	29.9
217.08627	3.6
231.04910	6.4
294.18228	4.3
340.97198	3.8
441.17584	45.6
494.17737	4.0
494.29666	8.7
495.18192	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	493.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	12.2
61.02894	7.3
64.12798	5.2
69.03430	12.2
69.66698	11.5
69.67098	40.3
70.06582	23.4
72.08162	10.8
72.42026	5.6
73.96970	5.6
75.30154	5.4
81.03410	7.8
82.06522	6.7
83.04984	8.2
84.04491	8.0
84.08128	17.1
85.02897	53.9
90.97874	5.4
91.05487	7.2
95.04982	9.4
97.02905	18.9
98.21429	11.8
109.02894	12.0
111.04353	5.7
119.04975	8.7
123.04471	6.2
127.03924	16.7
135.04390	7.3
143.10794	6.2
147.04422	25.2
149.56615	6.2
151.03917	24.4
161.05989	9.6
163.03879	40.0
164.04243	9.5
165.05478	17.1
169.03581	7.6
169.04884	35.7
169.08644	7.7
175.03912	9.8
175.07259	5.6
181.04991	38.9
193.04944	100.0
205.04933	11.9
207.06555	22.0
211.06000	85.5
229.04961	9.5
235.05998	73.2
241.04903	8.8
247.05986	52.0
259.05972	28.9
265.07016	14.9
277.07074	22.7
295.08109	25.8
301.07001	9.8
313.09180	23.5
452.57379	7.1
460.08286	7.0
493.18179	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	493.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40443	8.6
69.30058	100.0
80.75578	7.2
81.79008	8.3
82.06566	21.0
86.09710	25.8
87.79392	7.8
98.20757	14.3
99.05579	11.6
130.03432	10.0
135.48676	7.7
146.04506	20.7
157.04581	18.2
163.03943	9.9
163.07204	15.1
167.03079	9.8
185.04056	11.3
230.06114	10.6
249.14484	29.6
294.04028	8.8
347.12085	40.0
375.11371	16.9
393.12576	34.4
439.46454	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	492.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.7
54.14324	3.7
55.01857	5.2
55.05500	14.6
67.05482	12.6
69.03424	28.3
69.07059	14.6
69.44192	40.1
70.06586	37.9
71.04987	5.5
72.08142	17.1
73.02916	4.7
79.05488	22.1
81.03402	15.9
81.07047	53.0
83.04972	20.8
83.08596	5.2
84.04504	22.3
84.08144	21.6
85.02895	51.3
86.09698	43.1
87.00803	21.4
87.05585	5.1
91.05466	13.8
93.07018	26.6
95.04960	45.1
95.08582	15.3
97.02876	25.4
97.06505	12.8
99.04446	17.9
101.07104	8.6
105.01844	21.9
105.07033	29.0
107.08587	32.7
109.02876	21.5
109.06514	88.0
109.10140	28.3
119.08570	25.3
121.10122	23.7
123.08064	11.1
123.11685	14.3
127.03923	43.3
129.10245	7.6
130.06482	4.8
131.08546	15.6
133.06094	11.3
133.10118	83.5
135.08031	11.6
135.11676	8.1
136.07539	9.6
139.11139	20.3
143.08524	8.0
145.04922	14.1
145.10100	12.1
147.11702	31.6
149.09550	5.6
149.13245	23.9
151.11205	8.6
153.09155	30.1
158.10901	11.0
159.02890	11.7
159.11607	5.0
165.12723	4.2
167.14357	7.2
173.13251	62.1
191.14281	100.0
199.18076	6.6
209.15347	63.1
227.16496	12.9
231.04974	4.6
255.20627	4.5
260.09390	5.6
331.18567	9.1
332.18845	6.8
358.26096	3.9
396.89526	4.8
460.39679	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	492.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	13.8
55.01875	7.9
55.05499	24.0
56.05030	17.8
60.50167	7.0
61.02912	11.2
67.05495	22.3
69.03420	29.1
69.07040	20.7
69.44362	77.1
70.06586	100.0
71.04971	21.6
72.08149	48.1
79.05491	25.2
81.03395	29.5
81.07053	42.3
83.04977	28.7
84.04498	38.3
84.08142	61.2
85.02886	65.4
86.09699	84.9
87.00858	17.4
87.05556	9.0
91.05466	31.3
93.07037	39.4
94.06552	9.7
95.04932	36.4
95.08613	26.8
96.08121	15.0
97.02879	28.8
97.06533	11.7
98.97581	13.2
99.04443	9.6
101.07160	8.3
105.01884	13.7
105.07012	33.0
107.04958	12.4
107.08578	36.2
108.08121	7.9
109.02854	22.9
109.06500	43.4
109.10130	19.5
110.07169	12.7
116.98678	10.4
119.08579	25.9
120.08102	32.9
121.06505	9.3
121.10137	21.8
123.08014	16.3
123.11698	14.1
127.03908	32.7
129.10252	18.1
131.08580	20.4
133.06140	11.7
133.10141	43.0
136.07576	26.2
137.05936	10.4
138.09085	10.7
139.11183	11.2
145.04866	8.1
145.10146	10.1
147.04370	9.9
147.11708	20.0
149.13246	11.8
159.09190	10.5
166.04866	8.1
166.08568	8.4
167.06949	13.8
173.13272	28.0
177.00743	11.1
191.14323	53.5
193.04951	7.5
207.06509	10.8
209.15303	56.0
227.16464	34.8
233.12865	8.8
245.82359	8.2
250.59860	7.5
299.68051	8.8
303.05072	9.2
332.18964	12.2
339.09711	9.8
380.38516	7.4
380.44284	7.8
409.60373	9.4
433.13507	8.6
475.15970	7.5
492.18033	25.6
492.31726	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19087	0.9
53.03946	5.2
55.01871	5.0
55.05507	16.0
57.03431	11.9
61.02905	1.8
65.03920	1.3
67.05502	5.5
68.99764	2.1
69.03426	11.3
69.07045	3.5
69.84039	0.9
70.06564	3.9
71.01349	1.9
71.04986	2.3
71.33144	2.8
73.02911	9.4
79.05485	14.5
81.03419	29.8
81.07055	100.0
83.01320	1.0
83.04977	5.0
83.08579	1.3
84.08111	1.4
85.02901	26.6
86.09695	3.3
87.00820	8.8
88.11774	1.0
91.05479	6.8
93.07034	8.9
95.04978	5.7
95.08607	4.6
97.02879	10.7
97.06522	4.6
99.04460	5.9
99.08088	88.6
103.03914	2.1
105.01856	6.5
105.07010	6.1
107.04959	6.1
107.08603	2.5
109.02886	9.2
109.06509	3.2
109.10137	2.2
111.04413	3.2
111.08052	2.1
115.05457	1.2
117.01888	2.0
117.07011	2.2
119.04914	1.6
119.08542	4.2
121.06498	3.6
121.10122	2.8
123.04405	3.2
123.08073	10.1
125.05923	1.4
127.03909	16.7
127.07515	3.4
129.01833	1.8
131.08566	2.2
133.06459	1.1
133.10107	3.5
135.04323	1.3
135.08025	3.1
137.05948	2.3
137.09599	3.0
139.07497	1.6
141.09079	3.9
143.08623	1.0
145.05002	5.5
145.10086	1.6
147.02826	1.2
147.08026	1.1
149.05925	2.4
149.09633	1.6
151.07529	2.2
153.05426	2.1
153.09077	3.1
159.02876	4.5
161.09563	4.9
163.07455	2.1
163.11151	1.3
165.05466	2.3
165.09077	3.6
167.07040	2.5
177.05519	1.1
179.10635	4.6
180.10429	1.0
181.08458	1.0
183.10100	1.9
189.03903	3.7
189.09085	3.7
189.87344	1.2
207.10155	10.8
225.11264	6.2
231.04982	3.8
243.12221	1.4
259.04007	1.3
311.11258	4.2
318.13327	2.1
329.12234	6.6
492.18417	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20399	0.7
53.03940	2.1
55.05510	5.1
57.03415	2.1
57.07066	1.1
59.04996	1.2
65.03938	0.8
67.05498	4.1
69.03420	5.8
69.07060	3.4
69.57869	6.1
70.06579	3.8
71.04982	1.8
72.08148	2.1
74.06066	1.1
78.03451	3.3
79.05492	5.9
80.05005	1.4
81.03415	8.7
81.07051	5.8
83.04950	1.1
83.08602	1.7
84.04494	1.3
84.08151	1.5
84.41010	1.0
85.02894	19.6
85.06519	2.1
86.09712	4.9
87.00827	3.3
87.79201	0.9
91.05473	10.2
93.07032	6.3
95.04978	5.0
95.08607	6.3
96.04465	2.3
97.02912	5.9
97.06519	3.0
99.04456	2.4
99.08104	1.0
101.58435	0.8
103.05505	1.2
105.01836	2.6
105.07026	29.1
106.02908	18.0
107.08581	9.7
108.04452	1.0
109.02905	5.5
109.06506	15.3
109.10147	4.6
117.06998	2.3
119.08572	29.1
120.08101	1.9
121.10148	10.8
123.08038	6.8
123.11702	12.1
124.03945	100.0
125.05892	1.3
127.03885	6.9
130.07822	0.9
131.08554	3.1
133.06480	1.6
133.10126	10.7
135.08034	1.9
145.04933	1.4
145.10121	5.5
147.08043	1.4
147.11676	42.2
149.09645	4.2
151.07526	3.9
153.09065	1.3
156.09294	1.4
159.02861	1.3
160.16975	1.1
161.13191	1.5
163.11171	4.2
165.12747	3.2
167.06972	1.0
168.21014	1.0
173.13254	4.5
174.10417	1.1
178.09877	1.0
181.08598	4.1
189.12779	5.1
191.14272	6.7
207.13791	21.6
209.11844	1.8
209.15337	14.4
220.12361	1.0
225.14828	2.5
227.12891	6.8
227.16396	12.8
232.06070	1.6
250.07092	4.6
268.08139	29.3
284.07748	1.3
286.09183	52.4
388.20667	0.8
431.07535	1.0
492.22537	1.5
492.30347	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	491.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38921	0.2
55.01863	0.4
55.05508	2.1
57.03423	0.9
65.03927	0.9
67.05231	0.3
67.05505	2.9
69.07066	2.0
70.13628	0.9
74.24164	0.2
74.75765	0.2
79.05488	1.4
81.07051	3.5
83.08611	1.0
86.09679	0.3
89.62947	0.2
91.05475	9.7
93.07032	1.4
95.04951	0.3
95.08595	2.9
96.57700	0.3
97.06524	0.3
97.10146	0.3
98.03921	0.2
105.07011	0.6
107.04975	0.4
107.08595	0.8
109.10131	1.0
119.04935	20.4
119.08569	0.4
121.10149	0.8
123.11707	0.3
125.59303	0.3
129.05499	0.4
133.10133	0.5
135.11668	0.5
147.04399	100.0
148.04729	0.6
165.05452	1.7
221.08232	0.3
222.93329	0.2
235.20605	0.5
327.25269	0.7
473.29053	1.3
491.29968	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	1.0
56.28879	0.7
57.03434	0.9
58.24252	0.7
60.04526	10.2
67.05484	1.0
69.03423	1.8
69.62956	6.2
70.02934	2.5
70.06582	4.8
72.08149	2.1
72.58653	0.7
74.06075	0.8
84.04497	1.8
84.08128	4.7
85.02929	1.9
85.04020	2.7
86.09701	4.3
88.03948	1.3
89.80801	0.8
98.02444	0.9
98.20753	1.6
115.05036	2.5
120.08053	0.9
127.03959	1.4
129.10246	2.2
130.06549	2.1
131.07274	0.8
132.04442	2.9
145.07620	1.0
146.06039	3.4
149.02278	0.8
158.08398	1.7
159.09203	1.1
160.25606	0.8
169.07571	1.8
169.95946	0.8
201.06546	5.2
209.28058	0.8
218.09547	1.5
231.09253	1.8
245.10732	1.8
247.08749	2.2
255.09167	1.7
259.08734	2.1
260.09436	100.0
261.10077	8.1
263.11801	2.7
269.10892	1.5
270.08972	1.1
270.11685	1.2
271.08588	4.0
271.11838	0.9
272.09360	2.1
273.10202	22.5
273.13031	1.1
280.10010	1.6
281.10684	1.6
284.10089	1.4
285.10202	8.3
286.10992	3.5
286.13800	1.0
287.11771	14.1
288.11411	1.4
290.13004	2.0
292.12936	1.2
297.10144	4.4
298.11050	3.6
299.08212	5.9
299.11816	11.9
300.11713	1.0
301.09631	16.0
312.16525	0.9
314.12881	6.1
315.11166	2.2
317.09198	18.0
317.12738	1.2
319.10709	1.0
324.11429	1.0
325.09476	5.4
334.11862	7.3
342.12369	1.4
343.10739	44.0
344.11218	1.0
360.13422	19.7
370.11920	2.1
386.11624	1.4
387.14651	1.6
400.13022	1.8
405.15714	2.6
421.15027	48.8
422.14966	1.2
429.15558	2.3
447.16638	83.7
448.17023	2.8
457.14859	2.3
464.19357	0.9
474.17627	6.3
492.18790	73.7
493.19003	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.05512	16.5
57.03442	13.6
57.07069	4.0
57.14222	1.2
65.50184	1.5
67.05503	53.8
69.07066	20.5
70.73121	4.8
71.04989	1.4
71.08611	2.5
74.05039	1.3
75.80847	1.5
79.05491	16.5
81.07055	49.6
83.08614	13.2
90.09808	1.2
91.05478	16.1
93.07044	19.8
95.04991	2.4
95.08604	50.4
97.06541	3.1
97.10180	6.7
98.34565	1.4
98.98465	82.2
105.07037	10.0
107.08585	11.5
109.10164	22.5
111.08086	2.6
116.99509	3.1
119.08581	9.5
121.10137	11.9
123.08111	1.6
123.11694	8.1
125.13332	1.5
133.06491	2.6
133.10123	9.0
135.08055	6.1
135.11707	5.1
137.00015	4.0
137.13255	3.1
147.11690	5.0
149.13252	3.2
151.07599	1.3
155.01041	75.4
157.12782	1.4
161.13231	2.4
163.14828	4.5
165.03682	1.7
175.14790	1.5
190.96397	2.1
193.02408	1.5
195.10687	1.7
198.12859	1.9
211.03635	5.1
229.04729	5.4
245.22581	7.3
263.23657	12.8
295.17392	7.5
319.26334	2.5
334.48523	1.5
337.27353	100.0
337.64993	1.5
338.27698	2.2
372.57291	1.4
387.80072	1.3
473.26685	14.6
491.29926	27.0
491.36157	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	491.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54312	0.3
54.06091	0.3
55.01855	0.4
55.05512	2.1
57.03424	1.1
57.07069	0.4
63.14112	0.2
65.03934	1.0
67.05508	3.0
69.07062	1.6
71.00429	0.8
79.05502	1.7
80.18079	0.3
81.07055	3.4
83.08643	0.6
91.05479	7.8
93.07047	1.2
95.04992	0.3
95.08604	2.6
97.06562	0.5
97.10164	0.7
105.07056	0.6
107.08597	0.7
109.10155	0.8
119.04939	18.1
119.08544	0.6
121.10127	0.7
129.05469	0.4
133.10161	0.6
135.11674	0.3
147.04402	100.0
148.04735	0.4
155.33162	0.3
165.05452	2.1
167.27736	0.3
327.25302	0.4
473.28806	2.7
491.06613	0.3
491.30106	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	16.7
57.03436	15.7
57.07077	4.5
62.86102	2.4
67.05169	3.4
67.05504	51.2
69.03427	2.4
69.07079	20.0
70.87516	2.1
71.59840	4.8
71.60212	2.5
79.05495	18.9
81.07056	49.2
83.08598	11.6
91.05477	10.7
93.07034	17.9
95.05012	3.1
95.08045	4.0
95.08604	48.7
97.06533	5.6
97.10166	8.1
98.98466	68.8
105.07011	8.8
107.08575	9.6
109.10161	23.0
119.08592	5.3
121.10122	12.1
123.11665	10.4
133.10123	10.8
135.11687	7.2
136.99977	4.4
137.09526	2.9
137.13263	3.1
140.42152	2.3
147.11679	5.6
149.13232	4.0
151.14848	3.2
155.01042	66.0
161.13254	7.3
179.14287	4.4
184.34688	2.2
184.57896	2.7
211.03654	5.7
224.27724	2.6
229.04810	9.2
245.22589	8.5
263.23743	15.6
337.27380	100.0
338.27661	2.4
404.18326	2.5
473.26712	16.7
491.21912	3.6
491.29791	30.0
491.36292	3.7
492.88730	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76265	4.8
55.05499	14.7
57.03407	5.4
57.07053	7.7
64.17205	5.2
65.34430	5.2
67.05497	16.8
69.03429	17.1
69.07062	16.3
71.05003	7.1
71.41532	10.0
79.05484	9.5
81.03422	20.7
81.07056	14.0
83.08639	7.5
85.02905	47.6
85.06535	18.5
86.09706	5.5
87.00827	10.8
88.01153	5.6
91.05467	15.6
93.07037	13.8
95.08630	25.6
97.02861	14.7
97.06528	4.9
97.10176	6.5
99.04440	6.9
105.01867	10.0
105.07019	8.9
107.04929	14.7
107.08582	19.7
109.02853	7.1
109.06538	4.9
109.10162	12.2
111.08088	6.2
119.08624	7.5
121.10154	22.2
123.11707	16.3
127.03931	24.8
129.06975	5.9
135.11722	13.3
137.05988	10.1
140.06750	5.9
145.04903	7.3
145.10181	6.0
149.13322	11.4
167.07053	6.3
185.06007	5.2
205.19548	18.0
216.24779	6.3
223.20595	29.6
241.21626	100.0
243.38455	5.2
388.16345	4.9
468.66855	5.8
489.21658	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	490.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.01863	2.9
55.05504	4.4
56.71894	1.9
56.96550	3.2
63.71835	2.2
67.05492	4.4
68.99812	2.1
69.03438	10.3
69.07064	6.0
70.06586	6.1
71.04987	4.8
71.13002	2.0
71.59512	3.7
79.05494	6.8
81.03413	8.4
81.07055	7.4
83.04990	2.3
83.08608	7.2
85.02897	26.4
86.09747	2.4
87.00829	10.4
87.04458	4.2
87.66624	2.2
91.05486	5.7
93.07037	9.1
95.04961	19.8
95.08581	8.1
97.02886	9.4
97.06499	2.6
99.04461	11.4
105.01859	6.4
105.07021	8.2
107.04946	2.6
107.08591	46.2
109.02889	8.6
109.06501	5.9
109.10149	5.2
111.04449	2.6
119.08570	5.7
121.06502	1.9
121.10148	9.4
123.08067	100.0
123.11710	5.1
125.06004	3.6
125.09635	27.8
127.03893	11.6
131.08563	5.5
133.06470	2.4
133.10104	3.2
135.11697	2.1
136.65210	2.1
137.05974	4.3
137.09619	4.3
139.11188	3.7
145.04958	3.9
145.10162	2.3
147.08040	2.5
147.11647	5.1
149.09613	42.3
151.07553	5.7
159.02969	2.5
161.13245	3.3
163.03856	3.5
165.09119	7.6
165.12758	2.8
167.07043	3.3
167.10696	10.7
178.08470	2.6
183.13747	3.9
189.12740	9.2
191.06975	2.9
191.10643	8.3
207.13826	14.5
213.12738	2.3
223.13284	2.9
225.14868	84.0
235.13304	9.6
237.14874	9.7
249.14876	28.2
261.14810	4.1
267.15891	3.6
273.14673	2.8
291.15961	6.3
315.16016	2.6
346.54459	2.1
437.18109	9.2
440.62726	2.5
455.18845	2.5
490.19287	3.1
490.31921	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	489.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
54.03451	1.8
55.01866	1.9
55.05517	1.6
56.96569	1.2
67.05496	1.7
69.03407	4.8
70.06583	4.7
71.34589	3.2
72.04498	5.3
72.08142	4.1
73.02911	1.5
74.02438	24.7
79.05470	2.8
81.03416	13.4
81.07050	2.5
82.02929	5.3
83.04960	3.1
83.08601	3.0
84.08107	1.6
84.59534	1.2
85.02921	1.8
86.09688	4.5
88.80320	1.2
91.05476	2.8
93.07064	1.3
94.40361	1.3
95.04959	3.9
98.97591	2.5
99.04454	5.5
99.05568	30.7
100.03967	10.5
105.07008	3.0
109.06527	1.3
111.08089	1.6
116.07050	2.4
116.98609	2.7
117.06604	5.6
118.05014	16.0
119.08525	2.3
120.08121	1.7
129.06970	1.6
145.06075	13.8
146.04474	64.3
147.04549	1.3
163.07130	100.0
175.11119	1.8
175.27505	1.3
180.79507	1.3
193.12242	4.7
201.12169	1.3
202.12584	1.3
211.13309	14.6
224.90645	1.3
248.12907	2.1
266.13864	3.2
298.30667	1.4
372.59851	1.3
376.56943	1.7
429.14438	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.7
55.01876	1.7
55.05506	6.3
56.05022	4.4
56.96566	1.8
57.03418	2.6
60.04523	1.5
60.69722	1.1
62.06505	1.1
67.05502	6.5
68.05022	4.6
69.03068	1.9
69.03426	24.1
69.07058	4.5
70.06586	13.5
71.04999	2.3
71.58449	1.4
71.58833	1.2
72.04514	4.9
72.08151	11.3
73.02899	2.5
73.43906	1.1
74.02433	15.2
79.05477	6.4
80.05016	3.4
81.03413	27.0
81.07053	7.6
82.02930	5.0
82.06567	1.7
83.01340	1.9
83.04955	5.3
83.08625	7.2
84.04500	11.8
84.08137	12.3
85.02899	6.4
85.06542	1.4
85.08475	2.0
86.09702	47.5
87.05607	1.7
87.10024	2.6
88.03988	2.3
91.05472	9.9
93.07041	5.3
95.04955	5.3
95.08607	3.2
96.04499	14.4
97.02894	2.5
97.06546	2.5
97.10165	4.2
98.06062	2.7
99.04478	14.1
99.05566	21.3
100.03976	10.9
101.02373	2.3
102.05537	7.0
103.05415	2.1
105.07037	3.2
107.04948	2.9
107.08582	3.5
108.04501	1.4
109.02865	1.7
109.06498	1.6
110.06020	2.3
110.07149	5.2
111.04427	1.3
111.08041	2.1
116.07087	2.5
116.98578	1.4
117.06619	3.1
118.05014	12.7
119.04959	2.2
119.08559	3.8
120.08083	3.9
121.06505	1.1
121.10134	3.6
122.06055	1.3
123.04417	1.3
123.08080	1.7
124.03937	1.2
125.09592	3.7
126.05463	1.1
127.03922	2.1
128.03442	1.3
129.06889	2.5
129.10217	4.7
130.05003	2.9
130.90915	1.2
131.04915	2.6
131.08540	3.8
133.06491	1.7
133.10135	1.9
134.99579	1.5
136.07570	2.4
137.05969	3.9
138.05624	1.2
138.09056	1.5
140.07034	1.4
143.11769	1.5
145.06071	13.7
146.04477	64.4
147.04356	2.7
147.07846	1.3
147.11633	2.9
149.09627	3.6
150.05504	7.0
150.20462	1.3
157.10089	2.8
163.07133	100.0
165.09158	1.7
166.12250	3.6
167.10767	1.6
170.11794	2.0
175.03932	1.7
175.11122	2.9
184.13301	7.5
192.13849	3.4
193.04988	8.0
193.12251	11.4
194.05312	5.3
194.11774	2.0
195.05428	4.7
197.12845	2.0
201.12277	2.2
202.12459	1.8
202.14424	4.4
207.06511	1.4
210.14932	6.2
211.13258	28.2
212.12837	1.2
215.13895	5.5
220.13310	21.8
225.12445	1.1
228.15974	1.2
229.11743	2.9
230.11746	2.6
231.09999	1.3
237.02753	2.6
238.14369	12.1
239.05374	1.8
240.05876	1.5
241.06006	1.9
243.13452	5.1
247.12724	2.5
248.12831	29.3
256.15305	2.1
257.50665	1.3
261.10565	1.3
265.15546	1.5
266.13858	44.0
269.04572	1.3
283.16479	4.1
284.14816	5.5
312.14355	10.0
327.08218	2.8
329.17047	8.0
347.18103	27.8
373.19531	2.0
391.20544	6.4
489.12784	1.7
489.19498	1.6
489.23871	1.9
489.30951	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36681	0.5
51.02373	0.4
53.03938	1.0
56.30252	0.4
61.79669	0.4
67.05506	0.9
69.03406	0.4
69.41933	1.7
69.42357	2.4
79.05494	2.0
81.07063	0.4
85.06541	0.5
87.04474	0.8
91.05457	1.0
94.04211	0.5
95.04989	2.7
99.08099	4.5
103.05439	2.8
105.07030	4.5
107.04952	100.0
108.05311	0.7
115.05447	1.6
118.04156	0.6
120.44076	0.4
121.06498	1.2
122.03658	0.5
128.87935	0.4
131.04933	4.7
132.05701	0.5
133.06497	3.0
137.05963	9.9
137.06924	0.8
141.06975	1.3
145.06470	1.0
146.03604	6.1
149.02324	0.5
151.07625	0.4
161.05977	35.6
162.06557	0.7
163.07539	5.3
169.06488	3.2
175.07507	1.7
179.08585	0.4
187.11237	0.9
193.04980	0.6
201.09125	1.7
205.12227	0.8
206.91498	0.5
207.10170	0.9
219.08055	0.6
231.08067	0.6
235.07573	1.0
237.09288	0.5
245.11804	2.4
249.09010	0.5
255.10448	0.5
261.09189	0.9
265.08594	1.0
267.10153	1.9
269.08057	2.1
277.08594	0.7
284.10593	1.2
291.10062	0.9
293.11841	1.4
297.11218	1.6
299.13037	0.5
309.11261	0.9
315.13736	0.6
323.12827	0.9
325.14468	0.9
351.15839	3.0
365.17584	1.2
369.17157	1.1
382.17627	0.7
383.18484	4.1
397.06805	0.5
439.19107	0.5
457.20068	1.8
471.22095	1.1
489.22784	12.9
490.23270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.8
55.01870	5.8
55.05503	4.0
57.03434	4.4
57.07064	1.6
61.02917	3.4
65.03909	0.8
67.05500	7.4
68.99777	3.0
69.03072	1.3
69.03422	21.1
69.07063	7.7
69.47579	5.8
69.47988	1.7
71.04982	7.1
73.02898	2.9
79.05492	4.4
79.13850	0.6
81.03410	20.2
81.07050	16.0
82.18585	0.6
83.04968	1.3
83.08609	3.9
85.02896	52.8
85.06058	1.2
85.06535	13.7
86.03231	0.9
87.00819	19.0
87.04459	0.8
88.09171	0.6
91.03956	1.1
91.05470	3.2
93.07034	8.9
95.04955	6.5
95.08600	26.5
97.02278	1.0
97.02884	15.1
97.06532	3.4
97.10129	1.0
99.04456	8.6
99.08094	2.3
105.01858	16.0
105.07016	10.0
107.08582	19.6
109.02870	17.6
109.10143	20.8
111.04203	0.7
111.08046	4.3
113.09608	1.2
115.03946	1.1
117.01829	2.1
119.08566	14.9
119.18593	0.7
121.10130	29.1
123.08066	1.5
123.11694	7.6
125.09605	2.9
127.03906	28.4
127.11190	2.2
129.01843	2.2
131.08586	0.9
133.10107	11.6
135.11674	9.3
137.05974	1.3
137.09578	0.8
137.13235	15.3
145.04959	9.2
145.10153	1.8
147.02879	1.1
147.11682	17.3
149.13240	1.2
151.11139	1.0
151.14790	1.3
159.02859	9.4
159.11635	1.2
161.13269	10.8
163.14803	7.5
165.12770	5.0
167.14304	0.9
171.02986	0.7
175.14798	7.6
177.16374	9.5
179.14322	1.6
181.15891	3.2
183.13774	1.7
189.06055	2.3
203.15990	1.5
203.17937	28.3
213.04021	0.9
219.17538	1.0
221.18985	74.5
222.19287	1.4
231.04999	5.4
231.06989	1.2
239.16364	1.3
239.20045	15.0
245.06256	0.9
263.19992	1.2
271.04321	0.9
275.20193	0.8
278.36914	0.9
313.16135	2.5
355.17191	4.8
388.61945	0.8
399.16351	3.7
401.21368	4.8
443.22449	18.4
444.22827	1.3
487.21466	100.0
488.21759	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	489.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87730	2.5
56.96547	4.2
66.78841	2.5
69.03419	7.3
70.06566	12.1
71.43213	5.7
72.08145	7.8
80.04987	3.5
81.03403	10.4
82.06575	13.3
84.04487	10.1
84.07686	4.0
84.08150	49.7
86.09735	6.2
89.52374	3.1
99.05569	3.0
100.07590	3.9
102.05571	2.8
102.06200	2.6
108.10172	2.5
112.02452	15.2
112.05089	3.0
112.08757	3.3
119.01883	8.3
120.01449	4.0
122.06001	5.7
127.08676	3.5
128.00229	6.9
129.10245	29.9
130.03505	44.3
130.04990	7.0
130.08672	4.5
131.07309	3.3
132.58676	2.4
133.03424	2.9
134.02995	11.8
139.03500	5.2
142.03535	3.4
145.03476	3.1
146.01210	7.0
146.04460	2.6
146.09552	5.5
147.07681	4.4
147.11288	4.2
148.04527	8.7
152.04074	3.4
154.03481	4.8
156.01410	11.2
157.03523	4.5
157.04585	100.0
158.03291	3.0
160.00941	4.5
160.02977	4.5
160.04547	8.8
164.10817	6.6
171.06085	3.2
172.04472	3.4
173.02531	3.2
174.01003	5.2
174.02466	43.6
175.05658	63.5
176.05663	3.1
180.06256	3.1
181.04576	16.3
182.06622	4.4
184.00937	6.5
185.04129	4.8
186.02408	7.3
191.06627	12.0
192.03548	16.8
194.03012	7.2
198.02477	2.8
198.06149	8.4
199.05667	16.8
200.00400	6.4
200.04018	4.2
202.01949	10.4
203.05054	5.7
204.03561	6.4
207.06137	8.8
209.07713	7.2
210.06192	5.4
212.04018	35.7
214.01952	10.4
216.03534	5.5
217.06735	3.2
218.01460	4.3
219.06203	5.0
221.07652	3.2
225.07199	5.3
226.01968	5.0
227.05138	20.8
227.99907	10.3
228.03612	4.1
229.06749	5.5
230.01433	18.5
230.05080	6.5
231.04651	6.3
232.02983	11.1
235.05704	8.9
237.04982	4.8
237.07214	72.4
239.05009	3.7
239.08907	3.6
244.02985	11.5
244.12788	3.1
245.06168	31.6
247.05554	4.0
248.02536	7.5
253.06674	15.7
255.08311	7.6
257.06119	3.5
260.02460	5.3
262.03973	3.9
265.06912	10.1
269.06250	5.2
272.02481	20.1
275.07214	11.7
283.07886	39.0
285.05673	8.8
288.01889	7.6
290.03366	3.7
297.05582	10.8
299.03455	3.9
301.09161	26.3
306.03082	10.9
309.14258	3.0
313.05121	6.3
315.06699	10.1
317.06711	4.9
325.05133	14.5
325.08792	60.2
329.08316	3.6
331.06152	8.6
333.81610	2.5
341.04730	6.2
343.06265	30.6
343.09833	4.8
353.08344	3.9
359.05719	33.7
373.07248	17.2
383.09473	3.5
391.07977	12.9
395.09518	3.6
399.08829	5.5
439.08255	5.7
441.09805	5.4
471.11023	5.7
489.13730	3.1
489.27121	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	487.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.6
56.25999	0.4
56.96553	0.4
59.42971	0.4
67.05502	0.6
69.03423	0.8
69.07062	0.7
70.06595	0.5
71.35734	0.7
81.03410	1.0
81.07059	0.9
83.04994	0.5
85.02906	0.8
91.05462	0.7
93.07037	0.8
94.31390	0.4
95.04900	0.4
95.08603	0.8
97.02859	0.7
105.06998	0.6
107.04942	0.8
107.08599	0.6
109.02872	0.9
109.10179	0.4
119.01912	1.5
119.04937	0.7
119.08572	0.6
121.10132	0.6
131.01897	0.4
135.03218	0.4
136.95226	0.4
137.05972	0.8
147.04355	2.1
161.02959	1.1
165.06052	0.8
171.04985	0.4
189.06096	4.3
203.03943	0.5
205.10091	1.1
207.07080	0.7
213.06119	0.5
227.05287	0.8
231.07170	0.8
239.16109	2.0
271.04239	0.6
273.08170	1.6
281.57889	0.4
291.09616	0.6
313.16223	2.6
315.09149	0.5
355.17328	4.1
399.16248	3.1
401.20871	4.6
443.22403	22.2
444.22849	0.8
487.21500	100.0
488.22000	3.7
497.34894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78954	0.5
53.43796	0.5
56.96572	0.9
57.07058	0.7
62.86383	0.6
67.05506	0.7
68.79668	0.5
69.07050	2.8
70.06611	0.6
70.75571	1.3
70.75943	1.1
79.05505	1.0
81.03411	0.7
81.07047	1.1
83.59766	0.6
85.02898	1.4
86.09737	0.5
91.05481	1.0
91.65874	0.5
93.07083	0.6
95.08595	0.9
105.07070	0.8
107.04922	0.9
107.08593	0.6
109.02890	0.7
111.11711	1.7
119.01929	1.3
119.08563	0.7
129.07079	0.5
131.08455	0.6
131.28516	0.5
133.10106	0.6
137.05962	0.8
147.05067	0.8
165.06079	1.8
189.06070	1.8
227.05365	0.7
239.16100	5.0
245.06392	0.9
261.04211	0.7
271.04291	1.5
273.08276	0.8
289.70273	0.6
315.03903	0.6
317.14468	1.4
317.18011	1.0
368.48782	0.6
401.21280	6.0
419.21301	2.2
425.21558	1.0
443.22427	19.7
444.87933	0.7
470.53735	0.6
487.21478	100.0
488.21664	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	487.2153
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
55.01855	0.4
55.05509	0.8
55.66662	0.3
56.96551	0.7
57.03432	0.4
57.07065	0.5
60.65835	0.3
61.02931	0.4
67.05506	1.3
69.03429	1.4
69.07065	1.2
70.06589	0.8
71.04990	0.8
71.60082	0.4
72.08167	0.4
77.00885	0.4
79.05508	0.8
81.03425	1.4
81.07057	3.4
83.04982	0.3
84.08154	0.5
85.02444	0.3
85.02898	1.8
85.06528	0.4
86.09699	1.2
87.00854	0.5
90.25008	0.3
91.05508	0.9
93.07052	2.0
95.04983	0.5
95.08608	2.5
97.02901	1.3
97.06541	0.5
98.97588	1.7
99.04462	0.5
99.19838	0.3
105.01867	0.4
105.07030	1.5
107.08598	2.0
109.02878	0.9
109.06539	0.4
109.10159	1.6
116.98633	1.2
119.01845	0.3
119.08566	1.4
121.06535	0.5
121.10163	1.3
122.47068	0.3
123.11715	1.0
127.03920	1.6
131.08589	0.5
133.03569	0.4
133.10144	1.0
134.99638	0.5
135.11674	0.7
137.05984	0.7
139.11174	0.3
145.04985	0.6
145.10117	0.5
147.11693	1.4
153.12761	0.3
157.10153	0.5
158.99651	0.5
159.11783	0.4
161.01254	1.0
161.03006	0.8
161.13252	0.7
163.03969	0.7
163.14850	0.4
165.09146	0.4
170.99648	0.3
177.00803	0.6
185.04253	0.6
187.07915	0.3
189.00737	1.0
201.00688	0.8
203.05315	0.7
203.17946	2.7
213.09897	0.4
215.11192	0.5
219.01779	0.8
221.15450	0.6
221.19055	0.6
225.13487	0.6
237.02698	0.4
239.20175	0.9
243.14539	0.6
249.02914	0.7
251.11310	2.1
259.07849	0.6
267.07852	0.4
269.12332	4.5
269.14670	0.3
275.34433	0.3
277.08945	0.4
287.13501	2.1
291.03900	1.1
325.11520	0.6
325.15427	2.6
336.04761	0.4
343.15759	0.4
443.22806	4.8
446.41742	0.3
453.12881	0.3
469.19431	0.5
487.21454	100.0
488.21817	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	487.1444
Annotation	Hymexelsin
Peak:m/z	Relative Intensity
52.61860	0.2
57.03429	0.5
67.01865	0.4
68.15362	0.2
68.99785	0.4
69.03423	1.5
70.06591	1.5
70.58791	0.3
70.59200	0.5
85.02920	1.1
85.03352	0.3
86.09689	0.2
87.04452	0.9
90.12908	0.2
97.02866	0.6
115.03895	0.7
125.05968	0.4
133.04955	0.7
147.04388	0.3
151.03920	0.3
153.01796	0.3
169.04936	0.4
193.04958	100.0
194.05280	1.5
205.05000	0.2
235.05939	0.3
239.05539	0.3
241.21736	0.2
274.33417	0.2
331.01065	0.2
355.10214	7.1
356.27722	0.2
444.20242	0.3
444.43115	0.2
489.79810	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20666	0.2
53.03941	0.5
55.01859	0.6
55.05497	0.4
56.05010	0.3
56.96557	0.5
57.03417	1.2
60.04517	0.5
61.02911	1.1
65.49244	0.2
67.01834	0.4
67.05495	0.4
68.05012	0.4
68.99793	0.5
69.03070	0.5
69.03429	6.4
69.07063	0.5
69.67107	1.7
70.06594	3.1
71.01344	0.3
71.04985	0.6
72.08161	1.5
73.02597	0.3
73.02917	2.6
73.08443	0.3
74.06042	0.4
75.99444	0.3
79.05475	0.4
81.03059	0.3
81.03421	3.2
82.06606	0.3
83.01347	0.6
83.04935	0.5
84.04501	0.8
84.08131	1.4
85.02416	0.5
85.02903	6.8
85.07668	3.1
86.09704	3.2
87.00792	0.8
87.04449	1.2
91.03941	0.3
91.05474	3.3
93.07018	0.4
93.45222	0.3
95.04974	0.5
95.08559	0.3
97.02894	3.6
98.06047	0.3
98.97571	0.9
99.04433	1.2
101.07155	0.5
102.05529	0.4
103.03920	0.4
105.01859	0.4
107.04955	0.7
107.08601	0.4
109.02865	2.4
109.06541	0.3
110.07176	0.6
115.03929	1.9
116.07069	0.5
116.98623	1.1
117.56428	0.3
119.04971	0.3
119.08629	0.2
120.08092	0.4
123.04438	0.4
127.03918	3.1
129.10208	0.9
130.04993	0.5
133.04958	1.3
133.06528	0.3
134.99641	0.5
135.04373	0.5
137.05971	0.6
137.50415	0.3
145.04962	1.4
147.04344	0.8
150.03142	0.4
151.03896	0.8
153.01866	0.4
156.04166	0.7
158.99741	0.4
159.02922	0.6
161.05891	0.3
163.03891	2.1
165.05495	0.5
175.03981	0.3
177.00742	0.8
177.12778	0.4
178.02603	5.1
179.03323	0.7
183.02878	0.7
187.06015	0.5
193.04958	100.0
194.05334	0.5
195.02869	0.9
209.04431	0.8
214.09032	0.3
216.12358	0.3
219.01779	0.4
221.04459	1.4
222.05200	3.1
224.03098	2.5
231.04832	0.4
237.04062	0.4
239.05495	46.9
240.05769	0.5
281.06421	0.3
307.12250	0.5
347.13297	0.3
355.10196	7.6
372.58057	0.3
401.10773	14.6
427.16949	0.4
441.10651	0.5
443.11707	1.0
469.09818	2.3
487.10568	5.1
487.16550	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43805	3.3
55.05505	25.3
56.96552	4.6
57.03426	14.5
65.87134	3.7
67.05502	44.7
69.07075	29.1
69.89591	13.9
69.90016	8.0
71.04973	11.1
79.05490	26.9
81.07058	76.7
83.04977	5.1
83.08607	15.3
85.06554	6.7
91.05480	23.8
93.07048	23.1
95.08606	91.6
97.06528	8.2
97.10152	4.4
98.20769	4.5
99.08109	5.0
105.07015	21.9
107.08580	11.5
109.10154	10.1
117.07020	5.4
119.08577	32.6
120.79273	3.5
121.10134	7.7
123.08050	4.7
133.10114	12.6
135.11714	8.1
137.13245	8.3
153.27408	3.7
161.13240	51.2
179.14296	34.5
197.15419	4.4
203.82512	4.1
205.83751	4.8
242.98280	4.5
253.17982	32.4
271.19009	100.0
439.67059	4.4
449.32620	18.9
454.83170	5.4
467.33466	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	485.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02033	4.8
54.91682	4.5
55.05503	27.8
55.67125	4.4
57.03435	12.6
59.34027	4.4
65.03955	4.7
67.05501	45.3
69.07059	24.5
70.01138	24.7
71.04984	16.4
72.09229	4.4
75.85256	4.7
79.05492	20.8
81.07056	93.2
83.08617	19.9
85.06543	6.8
91.05479	27.7
93.07047	33.6
93.23257	4.8
95.04960	7.2
95.08605	100.0
97.06538	10.2
99.08112	10.9
103.65460	4.6
105.07005	25.0
107.08594	9.8
109.10146	10.9
111.08102	5.1
119.08575	28.2
121.10170	4.9
133.10144	15.8
135.11681	10.8
137.13258	6.7
161.13266	42.0
179.14319	38.3
203.58566	4.6
234.16112	4.4
253.18008	38.0
271.19012	99.8
316.24695	4.4
449.32986	9.6
467.33353	11.3
475.14114	5.1
485.21832	5.0
485.32294	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	485.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34594	2.3
55.05507	2.4
57.03419	7.5
57.07066	27.7
67.05483	4.9
69.07058	4.6
69.50637	5.6
69.51055	14.2
71.08630	17.7
73.91537	2.3
73.93445	2.2
81.07059	6.1
83.08590	4.8
83.67924	2.4
85.10172	9.0
95.08611	10.6
97.10150	2.1
98.98461	12.6
109.10141	6.1
115.09222	2.0
133.08490	2.3
155.01089	5.3
269.37473	2.4
313.27338	100.0
449.26535	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	485.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	6.0
55.05503	25.3
56.96564	5.1
57.03432	14.1
58.95140	4.3
67.05501	46.6
69.03413	5.0
69.07070	24.0
71.04992	10.1
71.59667	6.5
79.05500	17.4
80.35122	4.7
81.07058	91.1
83.04993	8.5
83.08617	14.2
85.06560	10.0
91.05470	25.0
93.07047	18.0
95.04945	8.2
95.08041	3.6
95.08607	96.2
97.06557	13.4
99.08111	5.9
101.12663	4.0
105.07070	26.1
107.08583	9.2
109.10151	9.7
111.08146	6.2
119.08576	31.5
121.10150	6.6
123.08032	5.3
133.10109	16.5
135.11731	11.2
137.13246	9.5
161.13254	34.2
179.14331	43.6
203.82632	5.2
205.57175	5.3
253.17989	42.1
271.19046	100.0
430.42191	5.2
432.71689	5.1
449.32617	17.8
467.33649	11.3
485.19199	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.6
55.90226	0.6
57.03413	0.6
57.07067	0.7
64.75288	0.6
67.05471	1.7
69.03420	4.4
69.07050	2.7
69.89629	0.6
70.08231	2.9
79.05495	2.1
81.03410	1.4
81.07055	2.9
83.08599	2.6
85.02888	2.9
87.00813	0.9
91.05460	2.2
92.43080	0.6
93.07047	6.7
95.04943	1.0
95.08601	2.9
97.02882	1.2
97.06499	1.2
97.10162	0.8
105.01861	2.1
105.07018	2.4
107.08591	10.6
109.06504	1.2
109.10150	3.4
111.08033	0.7
117.07039	0.7
119.08571	5.3
121.06494	1.6
121.09302	1.1
121.10137	14.5
123.08043	1.2
123.11702	1.0
125.11263	0.6
127.03874	2.1
131.08574	1.6
133.10127	2.9
135.08031	1.5
135.11687	5.1
137.09595	1.4
141.33000	0.6
145.04919	1.2
145.10121	3.8
147.11784	1.5
149.09636	2.7
149.13254	1.2
151.11140	0.7
157.10181	0.8
159.11693	3.2
161.13292	1.1
163.09836	1.0
163.11171	15.3
169.83287	0.6
170.52998	0.6
175.14845	1.9
176.12024	0.7
177.12706	4.4
177.16374	2.7
191.18166	0.8
191.20357	0.6
195.84702	0.6
201.16344	3.0
219.17424	100.0
220.17781	2.1
231.04996	0.7
237.18546	2.7
255.28354	0.6
278.29190	0.6
323.08768	1.5
384.90616	0.8
467.21716	0.6
485.14008	2.6
485.19928	1.6
486.14340	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86756	1.7
53.03938	6.4
55.01868	6.0
55.05499	10.9
56.96551	2.3
57.03413	3.6
59.04987	2.2
60.77155	2.0
61.02915	5.7
64.53306	1.6
67.05495	25.1
69.03431	17.5
69.07069	13.1
70.06579	8.7
70.94631	5.7
71.04978	5.7
72.28491	1.8
73.02899	4.4
74.26171	1.8
79.05486	31.9
81.03403	15.6
81.07053	100.0
82.07395	2.6
83.04969	7.9
83.08611	4.0
84.04468	3.1
84.08140	6.1
85.02901	33.6
85.06528	3.6
86.09680	10.0
87.00826	10.6
90.99428	1.7
91.05476	23.7
93.07034	48.1
95.04972	9.7
95.08602	32.0
97.02877	14.2
97.06515	7.4
97.10177	2.0
98.97542	4.4
99.04451	4.6
99.08103	3.0
99.66584	2.6
105.01865	7.6
105.07019	37.1
107.04961	2.4
107.08586	30.4
109.02879	13.9
109.06503	8.9
109.10147	32.9
111.08055	7.8
115.05485	2.5
116.98569	4.1
117.07005	7.0
119.08576	29.2
120.08102	3.2
121.06483	3.2
121.10138	43.2
123.04478	2.3
123.08052	7.3
123.11700	8.1
124.07568	3.2
125.09617	5.8
127.03903	17.1
129.06963	2.8
130.07777	3.7
131.08554	16.8
133.10117	24.5
134.99574	2.5
135.07964	2.7
135.11668	8.5
136.07523	1.7
137.05968	3.0
137.09618	4.5
137.90755	1.9
139.11172	3.1
143.08553	2.9
144.09370	2.3
145.02829	3.6
145.04941	7.2
145.10117	35.7
146.10484	1.9
147.04330	2.7
147.11671	8.3
149.09651	3.3
149.13242	5.5
151.11201	5.7
157.10146	4.5
159.02911	6.3
159.11667	26.4
161.13202	12.4
163.03911	3.7
163.11145	12.2
163.14815	3.4
173.13260	7.3
175.07474	2.5
175.14786	3.2
177.00713	5.1
177.05435	4.1
177.12662	2.1
184.07426	2.0
201.16379	32.8
208.03673	18.3
219.01723	3.0
219.13814	2.8
219.17436	21.0
219.60358	1.8
223.06003	30.0
237.18517	5.5
248.47800	2.2
259.09628	2.3
377.16769	2.1
429.85117	2.3
441.21011	2.3
460.19211	2.2
485.19519	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	485.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.5
55.01863	0.3
55.05297	0.2
55.05511	2.2
56.96566	0.4
57.03429	0.5
57.07063	0.7
61.02911	0.3
65.03944	0.2
67.05161	0.3
67.05504	3.8
69.03426	3.2
69.07072	2.5
70.06583	0.5
70.07934	1.0
71.04985	0.6
73.02888	0.2
79.05482	2.1
81.03426	1.2
81.07060	6.0
82.06536	0.2
83.04982	1.5
83.08607	0.8
85.02902	4.5
85.06532	0.3
86.09721	0.3
87.00822	1.5
91.05473	1.9
92.80108	0.2
93.07051	6.7
95.04964	0.8
95.08603	3.2
97.02912	1.0
97.06530	1.8
97.10133	0.6
98.97581	0.4
99.04449	0.7
105.01873	2.9
105.07030	2.4
107.04955	0.4
107.08595	6.7
109.02911	1.0
109.06524	3.2
109.10155	6.0
109.10905	0.2
110.07303	0.2
110.10502	0.2
111.08089	1.5
116.98631	0.3
117.07035	0.9
119.08584	2.5
121.06506	2.3
121.10138	4.1
121.10995	0.2
123.06789	0.3
123.07119	0.3
123.08069	4.2
123.11706	6.9
125.09621	0.6
127.03929	2.4
130.07771	0.2
131.08591	0.9
133.10143	1.2
135.08063	4.9
135.11693	10.3
136.07535	0.2
137.05969	0.2
137.09584	0.9
143.08530	0.4
145.04971	1.0
145.10106	3.0
146.18481	0.2
147.04425	0.3
147.08035	0.2
147.11691	1.6
149.09624	1.7
149.13295	0.5
151.11197	0.4
157.10126	0.4
159.02910	0.3
159.11684	1.7
161.09615	0.6
161.13243	1.0
163.11185	14.7
171.11633	0.2
173.13300	0.3
175.11165	0.4
175.14781	0.4
176.11990	0.9
177.12744	1.2
177.16374	0.8
191.17911	0.7
198.89694	0.2
201.16388	1.2
203.14247	0.3
204.15147	0.5
205.05074	0.3
219.17438	100.0
220.17772	1.8
231.05003	0.9
237.18465	3.6
247.16884	0.2
249.06039	0.4
258.18582	0.2
269.10617	0.4
276.15842	0.3
285.12912	0.2
287.11469	0.3
288.24115	0.2
297.77487	0.2
314.27621	0.2
328.31949	0.2
358.20065	0.7
386.19510	0.7
441.20923	0.4
485.19766	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	16.9
55.01861	14.9
55.05509	17.3
56.96558	11.3
57.03435	9.0
61.02908	9.5
65.03907	4.1
67.05506	24.8
68.99796	3.5
69.03436	55.8
69.07050	12.8
70.06589	4.2
70.95382	7.5
70.95719	4.5
71.04984	11.4
73.02914	9.4
79.05481	19.0
81.03419	45.1
81.07058	69.6
83.04949	4.3
83.08598	6.4
85.02906	90.5
87.00827	33.0
87.65549	4.0
91.05480	19.5
93.07040	52.5
95.04967	7.1
95.08602	90.6
97.02892	35.8
97.06539	4.0
97.10130	4.7
98.97565	11.2
99.04453	20.7
102.45767	3.7
105.01883	26.5
105.07034	63.5
107.04965	9.1
107.08601	48.6
109.02883	44.2
109.06506	10.3
109.10160	42.4
111.04448	4.8
111.08060	7.8
116.98638	8.3
117.01875	6.8
117.07015	8.3
119.08581	57.7
121.06480	5.7
121.10148	35.0
123.08050	3.5
123.11701	11.5
127.03917	69.1
129.01849	7.0
130.07829	4.2
131.08568	28.3
133.10138	40.6
135.11703	20.8
137.06061	4.0
144.09361	6.1
145.04951	24.5
145.10114	90.4
146.04463	4.7
147.11693	33.2
149.09541	4.4
149.13295	17.2
157.10123	8.1
159.02866	27.6
159.11691	55.3
161.11929	5.8
161.13251	48.1
163.11208	8.2
173.13260	20.8
175.14828	8.7
176.41219	3.5
177.00726	5.6
177.12749	4.1
177.16414	4.0
181.12201	4.5
183.11821	3.5
189.16396	28.8
191.17979	19.9
199.14851	5.5
201.16386	100.0
203.17978	29.1
207.17419	8.4
219.17415	61.3
221.18996	15.5
228.38585	3.7
231.05000	14.6
237.02844	7.8
237.14691	8.3
237.18480	91.2
273.10150	3.7
327.19485	4.1
399.17007	4.5
423.19098	4.0
431.21133	3.5
441.14969	5.0
455.95242	3.4
485.13818	20.9
485.19547	9.3
485.24240	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	485.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	9.3
55.01851	12.0
55.05495	12.3
57.03418	5.9
58.71181	3.5
61.02916	7.4
61.12548	4.4
61.41089	4.0
64.86263	4.3
67.05499	21.1
69.03424	45.1
69.07053	13.0
70.06575	4.2
71.04970	8.8
71.59509	6.1
73.02892	7.2
79.05479	15.4
81.03416	35.2
81.07058	42.3
83.04977	8.9
84.08096	4.0
85.02422	7.8
85.02896	100.0
86.09700	5.1
87.00822	30.6
91.05450	20.3
93.07039	30.5
95.04939	9.5
95.08601	42.8
97.02892	31.4
97.06522	7.4
97.73909	4.7
99.04440	12.9
103.05486	5.8
105.01883	29.8
105.07021	43.4
107.04964	6.9
107.08584	39.9
109.02879	43.5
109.06477	9.0
109.10149	27.0
111.08111	3.8
117.06978	11.3
117.75199	4.0
119.08569	36.5
120.08057	5.7
121.06490	5.4
121.10110	28.2
123.11707	7.9
125.09566	8.0
127.03915	65.0
129.01837	6.0
129.06985	5.4
130.07755	4.6
131.08592	29.4
133.06474	5.2
133.10110	23.3
135.11676	13.5
145.04942	22.2
145.10115	67.1
147.11676	22.1
149.09608	5.7
149.13249	5.5
151.11217	6.2
157.10133	9.6
159.02956	22.9
159.11665	66.5
161.13239	31.1
163.11156	9.7
166.11449	4.7
171.11664	5.8
173.13210	13.7
175.07495	7.6
175.14931	4.6
177.12715	5.5
189.16365	12.8
191.17783	5.5
196.95352	4.5
201.16379	92.4
213.04066	6.5
219.17421	49.6
231.04947	11.1
237.18480	34.6
245.08125	7.0
305.17221	6.7
485.23099	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	485.198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34333	1.6
55.05498	2.6
56.96563	18.6
59.05118	1.6
67.05499	3.5
69.07067	3.1
69.59438	14.4
71.95246	2.7
74.97669	1.8
76.22462	1.6
81.07040	4.8
83.08609	2.2
86.48330	1.7
95.08602	4.9
98.21591	2.2
102.92580	3.0
128.98595	3.3
136.93100	3.6
145.10167	1.7
146.99649	4.0
148.98523	1.7
150.95638	3.9
154.94142	14.4
161.01230	2.2
168.95717	11.2
172.95222	40.7
186.96780	95.2
190.96248	28.3
195.96774	4.9
203.06015	2.1
204.97841	90.3
209.98367	10.9
210.96805	3.7
212.98296	2.1
222.98810	2.6
224.98372	5.8
226.99953	3.9
227.99518	8.7
228.97829	15.0
242.99445	20.6
245.00943	2.7
246.99062	2.7
251.99438	3.6
254.18410	1.9
266.01105	2.5
317.17856	100.0
318.18195	3.4
333.17496	2.5
335.18915	54.6
358.20493	19.4
373.20490	5.8
411.15915	9.8
416.71140	2.0
425.17532	10.7
453.17044	21.5
467.18457	9.4
471.18198	49.7
484.35455	2.5
485.19806	23.9
485.35812	4.2
494.19684	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	485.1651
Annotation	Rubinaphthin B
Peak:m/z	Relative Intensity
50.24777	0.3
55.01854	1.0
55.05494	0.5
56.05019	0.6
56.96545	0.6
57.03413	0.3
63.53630	0.3
66.04516	0.3
67.05476	1.0
68.99782	0.5
69.03417	1.1
69.07047	1.5
70.06591	3.7
71.04960	0.4
71.59779	0.4
72.08136	0.9
73.02918	0.4
73.40679	0.3
79.05465	1.3
81.03414	0.8
81.07005	0.4
83.06059	0.3
84.04494	0.8
84.08132	2.2
85.02889	1.4
85.86355	0.3
86.09702	1.5
91.05463	1.5
93.06973	0.3
95.04958	0.7
95.06076	0.5
97.06529	3.7
98.97554	0.8
110.07132	0.7
111.44508	0.3
116.07059	0.7
116.98614	0.7
120.08064	0.8
127.03886	0.5
129.10201	0.8
132.44305	0.3
133.10094	0.4
134.99702	0.4
137.06006	0.3
139.00250	0.3
146.04448	0.4
149.01270	0.4
163.03900	1.0
168.13875	0.5
177.00668	0.4
177.05478	0.4
179.03377	22.9
188.48328	0.3
191.03409	0.9
192.04056	0.7
193.04985	0.6
207.02873	28.4
208.03641	7.2
209.04428	23.4
210.04800	0.4
221.04419	0.4
235.16679	0.3
237.02731	0.7
261.07520	0.9
274.79926	0.3
275.09915	0.3
305.10168	100.0
306.10455	2.1
323.11215	18.0
425.07666	0.7
441.31509	0.4
443.08609	0.4
467.26620	0.4
485.16129	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
54.10994	1.6
55.01871	12.1
55.05503	2.2
57.07066	7.0
59.04977	2.6
61.02936	2.2
65.03944	3.0
67.05506	7.2
69.03419	14.8
69.07073	9.2
69.95167	10.6
70.02945	7.3
70.06603	10.6
71.04986	2.7
72.04510	25.7
72.08150	3.2
73.02908	11.9
80.05018	2.1
81.03423	21.1
83.04976	10.0
84.04515	3.8
84.08143	2.3
85.02902	15.2
85.06541	12.7
86.09697	5.5
87.08105	2.6
90.05553	48.9
91.05458	4.1
95.04957	10.3
96.08090	2.1
97.02889	13.3
98.02394	12.6
99.04441	5.4
100.03973	7.5
103.07575	7.0
107.04955	2.4
109.02872	26.5
110.07150	5.8
111.04444	2.1
113.06004	5.6
115.03948	2.3
116.03457	23.8
119.04924	3.4
121.03979	1.7
124.07574	26.8
127.03912	18.4
129.05476	2.0
129.10287	1.8
130.08650	1.8
131.07074	1.9
132.06607	9.3
132.10164	2.2
135.04422	3.6
136.07628	2.6
137.05988	6.3
138.05518	2.8
142.08611	17.5
145.02827	2.8
145.04968	7.1
147.04399	14.2
147.44974	1.8
148.04771	2.6
160.09697	6.4
163.03899	14.7
164.04160	2.9
166.08667	4.0
172.09695	4.3
174.11258	4.9
181.04926	1.8
184.09688	32.8
187.03943	6.3
188.07156	2.1
198.07639	5.5
199.05986	7.9
200.07005	1.7
202.10739	100.0
211.09688	11.5
212.09404	2.0
213.05440	10.3
213.23686	1.9
216.08707	4.3
217.07104	6.7
220.11777	35.9
220.13770	2.6
226.11853	5.4
230.10144	12.3
234.09738	13.5
236.09149	2.1
244.11824	4.0
245.07961	10.4
262.12820	18.3
310.12878	13.0
310.16190	2.6
322.12872	2.0
328.13885	75.3
329.14014	1.9
346.14941	20.8
354.17560	4.3
364.16013	45.8
484.27664	4.8
485.24789	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06186	2.1
51.61600	2.1
55.05509	19.3
57.03427	9.1
57.07063	9.9
62.24493	2.1
62.90024	2.1
67.05499	4.2
69.07067	23.5
71.08626	3.9
71.60670	3.1
79.05499	3.6
81.07061	5.8
83.08608	20.4
85.10191	3.5
93.06978	2.4
95.08569	5.8
97.10144	13.3
98.98473	14.0
111.11680	3.9
136.74905	2.6
142.59685	3.1
155.01021	7.5
183.67668	2.2
206.11520	2.3
216.10988	3.1
311.25812	100.0
329.69019	2.7
447.24988	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	483.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.8
55.01864	6.4
55.05255	2.8
55.05509	32.0
56.96543	2.6
57.03438	11.7
57.07059	2.8
64.51068	1.9
65.03924	5.3
67.05499	87.4
69.07066	26.3
71.04973	7.0
71.21249	4.4
79.05486	66.7
79.06512	2.4
81.03426	2.4
81.07053	100.0
83.04955	6.6
83.08624	17.1
85.06525	8.6
91.05475	66.9
93.07037	77.1
95.04960	11.4
95.08599	58.5
97.06521	9.9
97.10165	5.9
99.08076	4.1
103.05437	2.8
103.08453	1.7
105.07023	57.4
107.04947	7.6
107.08584	43.9
109.06507	6.6
109.10145	18.3
111.08060	4.8
115.05478	1.9
115.51917	2.0
116.98710	2.2
117.07014	21.9
119.08569	42.0
121.06500	5.0
121.10139	32.3
123.08052	6.9
123.11666	4.5
125.09637	2.0
128.06201	3.8
129.06990	13.2
131.08560	44.8
133.06430	1.5
133.10121	27.3
135.08032	4.9
135.11687	17.2
137.05945	2.4
137.09604	2.7
139.11180	2.4
141.06979	5.8
143.08559	13.1
145.10118	24.7
147.11673	18.2
149.09631	3.6
149.13257	7.5
151.11235	2.3
155.08543	5.8
157.10103	10.3
159.10504	2.2
159.11635	13.8
159.89439	1.8
161.09683	2.2
161.13269	7.2
163.11188	4.3
165.12849	2.1
167.08583	2.3
169.10117	6.6
171.11668	11.8
173.13261	7.9
175.11084	1.9
175.14813	4.2
177.12694	3.4
177.94337	1.7
179.14285	3.0
183.11687	5.4
185.13254	10.5
187.14838	5.0
187.90709	1.8
189.12714	4.4
189.16394	1.8
195.11720	2.8
195.13824	5.1
197.13264	3.4
199.14890	9.3
201.16364	3.3
203.14330	2.1
207.13712	2.6
211.14864	5.3
213.16347	6.1
215.14336	2.4
217.15938	3.7
221.15355	2.3
223.14873	2.5
223.17015	1.8
225.16391	3.4
231.17599	1.9
235.16852	4.2
243.10344	3.3
243.17484	2.2
247.16988	5.6
249.18576	4.1
257.18985	2.8
261.18542	4.9
263.20239	2.2
269.17477	2.7
270.95728	1.6
271.20242	1.8
275.20020	5.9
289.21558	2.4
325.25095	2.6
327.26807	2.2
329.24417	2.4
337.25223	15.1
343.26279	9.0
345.27847	2.5
349.16702	4.2
355.26309	35.4
361.27328	2.5
373.27344	25.2
391.28296	4.7
400.75470	1.8
417.29495	2.1
429.29990	7.3
435.30853	5.7
447.30884	14.5
465.32010	12.6
471.86533	2.0
483.32706	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	483.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90567	0.7
70.42139	3.3
70.54644	0.7
76.52546	0.8
150.97650	1.3
213.80310	0.8
355.41690	0.8
483.14734	100.0
484.15240	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
55.01870	4.5
55.05499	5.0
57.03421	7.3
57.69041	1.8
61.02906	5.4
67.05524	10.0
69.03423	11.2
69.07067	33.0
69.68431	10.5
70.06584	4.5
71.04979	1.9
79.05491	15.8
80.40260	2.1
81.03423	6.6
81.07057	13.7
81.79365	1.9
83.04980	3.9
85.02903	11.1
86.09696	2.6
87.00813	4.0
89.03869	3.6
91.05482	6.5
93.07039	6.7
95.04975	3.3
95.08592	7.4
97.02879	5.5
97.06529	96.8
97.10136	2.2
98.20792	2.1
99.04462	2.4
100.95251	1.8
105.01862	1.9
105.07035	8.8
107.04951	3.0
107.08595	7.1
107.53407	2.4
109.02858	4.4
109.06497	2.4
109.10155	5.5
111.08060	3.0
117.03382	4.0
119.08566	7.8
120.08070	2.1
121.06505	2.5
121.10154	2.4
123.11703	2.0
127.03920	9.7
129.09171	2.7
131.08554	3.5
133.02859	3.8
133.10123	6.3
135.04404	9.4
135.08067	3.2
135.11708	2.8
137.05962	2.4
143.08571	2.2
145.02832	6.4
145.06557	2.5
145.10144	2.1
147.04424	3.3
147.11705	3.9
159.03046	2.2
159.04385	8.4
159.11632	2.9
161.02335	30.5
161.09622	5.1
163.03897	66.7
163.07487	2.3
169.06401	1.9
173.02338	74.6
175.03906	2.7
175.07495	3.1
177.05476	4.1
185.06024	6.1
187.03951	4.2
187.07466	3.4
189.16299	3.4
191.03410	9.4
199.14825	2.1
203.14616	2.3
213.09151	2.8
215.07024	100.0
216.07304	2.0
217.08618	2.9
217.15840	6.4
227.65118	1.9
233.08061	4.8
235.09680	15.2
235.13245	2.0
237.13443	2.4
241.08583	19.5
259.09634	36.3
273.11151	22.9
291.12259	87.3
370.30411	2.2
397.18161	5.8
418.47525	2.1
439.19278	20.4
483.18182	39.7
484.64117	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	482.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24076	1.5
52.51963	1.4
52.53466	1.4
55.05500	2.5
55.75759	1.1
57.07073	69.9
58.12172	1.2
60.39474	1.2
65.12150	1.2
65.68377	1.3
67.70872	1.2
69.07076	8.2
69.39710	13.6
71.08628	59.3
73.06575	3.4
83.08587	3.2
85.10178	37.7
87.04501	1.8
89.06026	100.0
97.10177	2.7
97.13158	1.3
97.29408	1.2
99.11720	8.1
102.11549	1.5
107.07067	5.1
111.11694	4.6
113.13294	7.6
114.64529	1.2
117.09138	1.7
119.46551	1.2
127.14829	3.2
130.08611	3.3
133.08595	62.9
164.38509	1.4
168.85551	1.4
177.11211	28.5
183.21046	2.2
185.62535	1.2
191.70645	1.3
195.12271	3.8
239.14975	3.2
252.78737	1.6
271.26303	4.5
274.35678	1.5
283.17487	34.2
315.28873	4.6
421.35101	2.1
465.37891	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41608	0.4
56.05022	1.7
57.03426	0.5
57.07083	2.5
58.06599	1.4
60.08163	16.7
66.39671	0.5
67.05482	0.7
69.07041	0.8
71.07375	5.6
71.08618	2.5
71.33235	0.9
81.03436	0.6
81.07082	1.0
83.08593	0.7
85.10186	1.2
86.09703	47.5
95.08587	1.1
98.98462	3.6
104.10740	95.3
105.11078	0.5
125.00003	25.9
163.01598	1.3
184.07335	100.0
185.07573	0.9
258.10992	1.2
299.25754	2.8
307.36041	0.6
440.28439	0.5
464.31369	7.5
482.32452	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05882	2.1
53.03934	4.2
55.01867	6.5
55.05508	8.4
56.96561	2.7
57.03421	3.3
57.07075	15.1
59.04990	3.5
61.02919	2.1
67.05508	2.8
69.03436	18.7
69.07067	59.4
69.07452	2.8
69.47205	16.2
69.99675	1.6
71.04997	6.1
71.08622	9.0
73.02918	5.8
73.06554	11.9
73.40887	1.9
79.05490	2.7
81.03416	17.9
81.07069	2.1
83.08613	3.6
84.29053	1.6
85.02903	52.0
85.10181	5.4
87.00832	22.7
89.06023	27.9
91.03973	2.6
91.05502	2.8
97.02884	33.9
99.04450	8.1
105.01865	38.1
105.07011	2.5
107.04980	3.2
109.02859	13.6
111.11718	83.9
117.01846	2.6
127.03918	36.6
129.01852	3.3
129.12752	100.0
130.13115	2.5
145.04974	17.9
159.02917	9.2
183.39557	1.8
199.15192	2.7
199.16917	15.3
213.04114	2.4
217.17937	12.8
231.04976	8.3
237.07446	2.6
237.14613	2.0
249.05934	2.0
260.70218	1.9
293.15216	1.8
341.54498	2.0
359.16956	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01868	2.5
55.05513	6.4
56.96560	1.5
57.03418	4.7
61.02918	2.1
67.05500	12.5
69.03421	8.2
69.07066	9.7
70.06570	4.5
71.04968	3.2
71.59766	1.2
72.08148	1.3
73.02885	1.4
74.69395	1.2
76.98256	1.2
79.05489	7.9
81.03398	5.7
81.07052	41.0
83.04987	7.2
83.08609	5.0
84.08115	1.6
85.02905	9.9
85.06529	3.7
86.09698	3.5
87.00800	1.5
90.19636	1.2
91.05474	13.3
93.07052	8.6
95.04968	3.4
95.08606	11.3
97.02892	4.9
97.06521	4.8
99.04436	2.7
99.08075	2.3
105.01840	2.6
105.07031	18.4
107.05016	1.4
107.08591	9.3
109.02859	4.4
109.06497	4.3
109.10155	3.5
110.10505	1.2
111.08047	1.6
116.98621	1.6
119.08587	15.5
120.08099	2.2
121.06564	1.7
121.10138	11.6
123.08068	2.2
123.11705	16.3
127.03903	4.9
127.07526	1.9
131.08540	2.9
133.10101	1.9
135.11667	1.8
137.05949	2.1
137.13266	2.1
141.09016	2.0
145.10123	2.8
147.04416	2.3
147.11685	41.5
148.94916	1.3
157.10129	3.9
159.02814	1.7
159.11722	1.9
161.09598	1.6
163.03888	1.7
165.12767	18.2
175.03926	1.9
175.11162	2.2
177.00563	1.4
183.13776	2.0
207.06473	1.9
217.15822	2.0
225.91579	1.5
229.14401	7.5
231.04976	1.6
235.16908	4.2
237.02731	1.4
267.15909	32.5
285.16953	100.0
286.17221	1.7
287.31543	1.5
289.05322	4.8
447.22189	2.3
482.11227	1.7
483.22095	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	482.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.8
55.01858	3.8
55.05512	6.5
56.36921	1.6
56.96552	6.4
57.03418	5.0
57.07070	11.2
59.04995	1.5
61.02909	3.3
64.32132	1.5
67.05513	2.1
69.03425	18.3
69.07064	45.2
69.42763	14.1
70.69120	1.5
71.04987	7.3
71.08628	8.7
73.02891	4.4
73.06548	11.2
79.05460	2.0
81.03411	19.2
83.08623	2.8
85.02903	52.3
85.10160	4.4
87.00835	21.2
89.06033	25.1
89.84981	1.5
92.63947	1.5
95.08581	1.6
97.02888	27.3
98.97586	1.6
99.04452	6.9
105.01862	31.8
107.04934	1.9
107.08553	2.3
109.02882	16.9
111.11716	75.2
116.86740	1.5
127.03909	42.6
127.04805	3.1
129.12752	100.0
133.01698	2.4
137.05925	1.8
145.04953	18.4
159.02898	7.4
168.95634	1.9
170.15358	2.3
196.75821	1.8
199.16896	14.1
213.03963	4.2
217.17982	13.2
231.05028	9.6
249.05975	4.2
295.15793	3.4
296.16125	4.7
303.81323	2.1
309.01990	1.7
314.17117	2.0
439.20215	2.6
440.20496	20.7
478.27417	1.9
482.21255	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	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
53.43875	1.5
55.05500	7.8
56.05024	5.6
56.96568	3.3
57.03432	6.1
61.02921	16.3
65.84503	1.4
66.85928	1.6
67.05502	12.2
68.05027	3.9
69.03440	9.2
69.07068	2.8
70.06588	26.5
71.04990	3.8
71.59801	2.4
72.04520	5.2
72.08161	9.6
73.02905	5.7
74.06094	2.2
79.05489	13.3
80.05012	5.3
81.03412	84.0
81.07053	14.3
81.36729	1.7
82.03764	1.9
82.06576	3.9
83.04990	7.8
83.08613	23.1
84.04499	4.1
84.08144	8.2
85.02893	17.4
85.63315	1.5
86.09702	6.0
89.03917	3.2
89.31190	1.7
91.03936	5.6
91.05476	13.2
93.07043	10.7
95.04966	29.7
95.08610	6.5
96.04492	3.6
96.08125	2.7
97.02885	10.8
97.10174	2.0
101.99642	1.6
105.07038	10.8
107.04963	11.1
107.08591	4.6
109.02862	3.6
109.06501	3.1
109.10152	1.9
110.07166	5.2
111.04436	2.2
111.08076	11.8
116.07110	3.6
117.03365	9.5
119.04926	3.3
119.08581	8.5
120.08096	4.0
121.06496	3.0
121.10105	8.4
123.08022	2.0
123.11721	2.1
127.03923	3.7
129.06995	9.6
131.04836	1.8
131.08537	11.9
133.06483	2.2
133.10158	6.1
136.07567	4.8
138.12767	2.9
142.07840	3.1
145.02841	19.7
145.04874	2.6
147.04404	2.3
147.07991	3.5
147.11673	7.7
148.11240	3.4
149.05995	3.7
149.09590	7.4
157.10092	13.6
163.03900	6.3
166.12291	10.3
169.09917	2.3
171.14937	2.5
175.11176	12.4
177.05461	26.8
180.08698	2.2
182.15375	14.4
184.13344	10.7
192.13831	3.9
193.12239	93.9
195.08041	3.0
197.13708	1.7
210.14909	24.7
211.13289	9.9
213.09123	4.3
213.12320	9.4
215.10651	9.6
235.13326	1.8
237.02792	2.3
240.15976	3.8
241.08582	19.1
243.10094	17.7
248.98605	2.3
258.17145	8.6
261.11389	2.1
267.13025	4.0
267.15891	76.1
268.16251	1.8
276.18149	2.8
284.18625	7.7
285.16953	100.0
302.19586	40.2
309.16989	5.5
320.04794	6.0
320.20313	1.7
334.06494	1.9
363.03461	1.8
434.36826	1.9
435.16220	1.9
446.23993	3.2
464.24951	39.2
482.13080	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.0
57.07075	38.1
62.98500	0.6
67.05506	1.0
68.14014	0.5
69.07059	1.5
69.54273	1.8
69.54699	3.5
71.08631	29.2
73.06560	6.7
83.08619	2.4
85.10183	23.5
85.10706	0.6
87.04457	2.9
89.06032	100.0
95.08642	0.7
96.32874	0.6
97.10175	2.7
99.11727	3.4
104.25009	0.6
107.07064	5.0
107.20762	0.6
109.10184	0.9
113.13322	1.7
117.09153	3.1
130.08635	3.2
131.07011	1.0
132.76660	0.6
133.08601	38.6
142.66344	0.7
152.16014	0.7
155.17981	3.5
165.20815	0.6
177.09833	1.0
177.11234	9.9
180.86072	0.7
189.40900	0.6
195.12256	1.1
199.20567	2.4
221.13927	0.6
239.14926	1.0
243.23230	1.7
247.98645	0.6
283.17581	0.8
327.20474	1.4
328.03763	0.6
426.35220	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.4
55.05503	0.5
56.05025	0.5
60.04520	5.2
67.05477	0.8
69.03423	1.1
69.07066	0.8
70.02944	0.7
70.06595	2.1
71.04992	0.4
71.59585	0.4
72.04508	0.5
72.08140	1.5
73.02892	0.3
75.41341	0.3
79.05482	0.6
81.03402	1.2
81.07040	1.3
83.04959	0.7
83.08615	0.5
84.04503	0.8
84.08136	1.8
85.02902	1.9
86.09701	26.4
87.00813	0.3
87.05593	5.3
88.03975	0.7
90.02669	0.3
91.05462	1.5
93.07053	1.7
95.04967	1.1
95.08600	0.8
97.02873	0.8
98.09678	0.8
99.04401	0.4
103.05455	3.2
105.07007	1.4
107.08588	0.7
109.02868	0.8
109.06525	0.7
109.10159	0.5
110.07166	0.8
110.09641	0.4
111.04449	0.4
112.11247	0.5
115.05409	0.4
119.08536	0.5
120.08098	100.0
120.24680	0.3
121.08441	0.9
121.10098	0.4
123.04446	0.5
123.08047	0.3
127.03915	0.7
128.10695	3.5
129.10185	0.7
133.10146	0.5
134.04498	0.8
135.08116	0.5
135.11710	0.4
136.07568	0.6
137.05995	3.8
145.02841	1.1
145.10092	0.4
147.11635	0.4
149.05981	0.4
149.09578	0.3
151.07570	0.5
159.11688	0.4
163.07536	0.8
167.07039	2.4
169.10127	0.4
173.12851	28.5
175.07451	0.6
177.05460	1.7
189.09071	0.5
193.05031	0.5
200.70032	0.3
201.12328	11.9
203.06898	0.4
215.10654	0.9
233.08028	0.4
233.11623	0.6
233.16553	0.4
239.10649	0.5
257.11731	0.5
281.11304	26.3
299.12897	0.4
301.11630	0.3
303.04944	0.6
303.17023	1.5
335.20706	0.3
348.19199	1.1
359.14938	0.3
362.98035	0.3
437.17615	1.0
463.15778	0.8
481.17004	2.4
481.26233	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2046
Annotation	Briarlide H
Peak:m/z	Relative Intensity
53.03925	0.8
55.01877	0.5
55.05500	1.9
55.38523	0.5
56.96571	0.5
57.03425	1.0
59.66492	0.5
67.05491	2.6
69.03424	2.8
69.07069	2.8
69.50555	4.0
70.06589	1.6
73.02935	0.6
79.05491	1.8
81.03419	2.0
81.07042	4.1
83.08585	0.7
84.08131	1.0
85.02892	2.8
87.00825	0.9
91.05487	2.8
93.07040	4.3
95.04957	1.2
95.08612	3.6
97.02878	1.5
97.03747	0.6
97.10130	0.8
98.21417	1.0
98.97565	0.7
99.04474	0.8
105.07015	4.4
107.08600	4.0
109.02866	1.6
109.06463	1.2
109.10172	3.2
109.42008	0.5
117.07045	0.8
119.08566	4.7
121.10137	2.3
123.08003	0.7
123.11712	0.9
124.22759	0.6
127.03931	1.8
131.08549	1.5
133.10123	3.8
134.99626	0.7
135.11693	2.2
137.05980	2.5
137.09639	1.2
145.10121	2.0
147.04453	0.6
147.11697	3.6
149.13246	0.6
151.07486	0.6
159.11705	2.0
161.09547	0.7
171.11824	0.6
173.13254	2.1
175.14876	2.2
203.05284	1.4
215.14262	1.3
215.17845	1.4
227.05301	2.0
233.15244	1.8
245.06300	5.9
271.04156	0.9
289.05276	20.9
290.05746	1.0
319.89459	0.6
377.19632	0.9
395.20627	3.9
419.20517	2.3
437.15894	0.8
437.21469	13.6
463.19431	18.6
481.20428	100.0
482.20816	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	481.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
55.05501	3.8
56.96560	1.3
57.03419	1.4
58.06590	1.1
60.01821	1.1
67.05493	3.5
69.03419	4.4
69.07060	5.0
70.06589	2.2
70.49487	1.0
71.04972	1.4
71.08624	1.6
71.59978	1.6
73.02926	1.5
75.08590	1.0
79.05498	3.6
81.03404	3.6
81.07047	6.9
83.04978	2.0
83.08640	1.5
85.02917	5.5
85.06514	1.6
91.05467	3.6
93.07049	6.9
93.07543	0.9
95.04994	2.2
95.08607	5.8
97.02859	1.4
97.10197	1.7
98.97575	2.1
99.04430	1.4
100.11266	2.3
105.01869	1.8
105.07027	6.9
107.08592	7.8
109.02879	2.2
109.06532	1.9
109.10152	4.4
119.08598	7.2
121.10152	3.7
123.08147	1.3
123.11653	1.4
127.03903	4.0
131.08569	2.5
133.10138	3.5
134.99615	1.9
135.11636	2.5
137.06023	2.6
145.10136	3.2
147.11668	2.0
149.09573	1.4
157.10117	1.5
159.11694	1.8
161.06165	1.2
161.09644	2.0
161.13258	2.3
170.15431	2.5
173.13274	2.7
175.14882	3.6
182.15340	1.3
185.04239	1.3
187.14848	1.5
203.53900	1.1
209.16486	1.2
215.14136	1.4
215.17957	2.7
227.05225	1.2
233.15291	1.5
233.19148	1.5
245.06488	3.0
265.93207	1.1
287.03912	1.1
289.05307	20.8
289.08286	1.9
307.64743	1.2
314.57910	1.1
366.03098	1.1
395.20468	3.1
419.20499	2.3
437.21487	12.5
463.19421	6.1
468.14783	1.1
481.20450	100.0
481.26337	3.7
482.20767	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.6
56.96570	2.3
59.03445	0.4
64.09603	0.6
67.05494	1.3
69.03423	1.4
69.07049	1.4
71.60277	0.6
79.05486	1.3
81.03402	1.4
81.07048	4.0
83.04987	0.6
83.08584	0.5
84.96033	0.5
85.02884	1.5
89.21731	0.4
91.05476	1.3
93.07037	1.0
95.04969	0.5
95.08603	1.7
97.02867	0.6
98.97574	2.2
105.07038	0.9
107.08562	1.1
109.02868	0.8
109.10155	0.9
116.98604	1.7
119.08604	1.0
121.10159	0.4
123.11685	1.2
127.03926	0.7
131.00174	0.8
131.08548	0.5
133.10139	0.6
134.99637	0.7
135.11707	0.6
135.23996	0.5
137.06056	0.5
146.99619	0.4
151.11223	0.6
158.99704	1.0
159.03329	0.6
167.07033	0.6
177.00676	1.8
185.04172	1.1
187.51535	0.4
200.02393	0.5
204.48631	0.5
215.14114	0.7
219.01781	1.0
227.05365	1.0
233.15222	4.6
261.14651	1.0
275.16013	0.5
277.14752	1.7
289.05328	0.8
319.15735	0.6
327.13257	0.6
331.15787	0.5
349.16711	0.6
367.17990	1.2
395.20392	11.7
408.50333	0.5
419.20822	0.7
421.19003	1.8
437.21432	29.7
438.21707	1.3
439.19855	1.3
457.20532	0.6
481.20428	100.0
482.20761	3.3
485.15353	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76240	0.7
55.05500	1.7
63.46265	0.8
67.05486	1.0
69.03419	0.8
69.07066	1.9
69.54649	3.3
69.55061	1.8
70.06586	3.4
72.08147	1.5
79.05500	1.5
81.03432	0.8
81.07053	2.2
82.06570	4.4
84.04514	1.6
84.08170	1.2
85.02905	2.7
86.09704	2.0
91.05492	2.2
93.07045	2.2
95.08582	2.5
97.02843	0.9
100.11208	0.8
105.07030	2.2
107.08586	2.7
109.10123	1.2
117.07018	0.7
119.08573	4.5
120.08085	1.6
121.10188	1.3
127.03905	1.5
129.85263	0.8
132.08112	0.9
133.10143	5.5
135.11711	1.4
136.07497	0.7
137.06004	2.5
143.08618	0.8
145.10132	1.6
146.04453	1.0
146.99637	0.7
159.11697	0.9
175.14841	4.6
191.03429	3.6
215.14209	0.9
239.72813	0.8
245.06326	3.4
248.50571	0.7
267.03232	0.7
271.04324	1.9
273.04056	2.2
286.05008	0.7
287.03625	1.2
289.05283	57.8
303.00580	0.8
395.20474	2.2
419.20432	4.4
437.21497	15.8
463.19360	22.0
481.20453	100.0
482.20648	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	480.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.5
56.05024	1.4
56.96558	0.5
57.03422	0.6
57.07071	0.8
58.06593	1.3
60.07878	1.0
60.08162	14.6
61.02903	0.5
67.05484	1.6
69.07069	2.1
69.35802	0.9
69.36205	4.1
71.07372	6.4
73.02921	0.5
79.05480	1.7
79.26289	0.5
81.07040	2.2
82.04033	0.5
83.08637	0.9
86.09702	46.2
91.05491	0.6
93.07031	1.7
95.04984	0.6
95.08582	2.0
97.02918	0.6
97.06511	1.1
98.20674	1.0
98.98458	2.8
104.10741	100.0
107.08605	1.1
109.10210	0.6
121.10133	1.3
125.00004	25.1
143.01089	0.6
163.01538	1.0
181.02602	0.8
184.07335	93.7
185.07640	0.6
258.10947	0.9
297.24484	0.9
341.98938	0.5
399.33807	0.6
462.29721	7.4
480.30856	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	480.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.3
56.05033	0.9
56.96561	0.8
57.03429	1.0
57.07064	0.6
58.06613	1.1
59.07375	0.4
60.08162	17.8
61.02932	1.1
67.05509	2.2
69.03425	0.6
69.07063	1.2
69.44719	1.1
69.45140	1.2
70.06593	0.7
70.68192	0.3
71.05012	0.3
71.07377	6.1
79.05493	2.0
79.87601	0.3
81.07049	1.9
83.04954	0.6
83.08591	1.5
85.02885	0.8
86.09704	51.3
91.03969	0.3
91.05478	0.4
93.07048	1.8
95.08591	1.5
97.02893	0.6
97.06526	1.0
97.10149	0.4
98.20744	0.6
98.98462	3.7
100.97257	0.3
103.03871	0.3
104.10741	100.0
107.08597	0.8
109.10160	1.0
110.69374	0.4
117.07031	0.4
121.10159	1.5
125.00001	28.1
129.05466	0.8
135.11659	0.7
163.01529	0.3
163.03853	2.0
163.05061	0.4
181.02618	0.6
184.07335	99.7
207.06531	2.4
217.07530	0.4
224.21742	0.3
228.05717	0.3
229.07468	0.4
239.09514	0.5
243.09120	0.4
251.08734	0.4
255.09045	0.5
257.07016	0.4
257.10632	0.7
258.10968	1.2
259.08533	0.8
260.09137	0.5
297.24249	1.0
300.28900	0.5
301.09543	1.5
319.10687	1.0
332.11121	0.6
335.25760	0.5
341.11728	0.5
349.15805	0.7
462.29800	8.6
480.30829	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.1
56.96552	2.8
67.05488	2.3
69.03419	1.5
69.07053	0.8
71.05006	0.9
71.40442	1.6
76.65298	0.7
79.05479	2.3
81.03408	1.6
81.07042	4.7
83.04987	0.7
85.02890	2.1
85.06490	0.7
87.00804	0.9
91.05462	2.2
93.07031	2.9
95.04951	1.2
95.08591	2.9
97.02904	0.8
97.06549	0.9
98.21499	0.7
98.97568	3.3
105.07037	1.3
107.08580	2.1
109.02879	0.9
109.10137	1.7
116.98611	2.1
117.07001	1.0
119.08572	2.1
123.08063	0.7
125.02464	0.8
125.09620	1.0
127.03912	1.5
128.98584	0.8
131.08572	1.2
133.10092	1.7
134.99657	2.4
135.11618	1.1
137.05991	2.6
145.10100	1.1
146.99588	0.8
147.11694	0.9
157.10150	0.8
159.03291	1.1
159.11604	0.8
171.11687	1.2
177.00705	2.7
197.04187	1.6
198.04547	1.9
200.02292	0.8
209.13695	0.7
227.05353	1.0
233.15192	3.0
237.02713	1.5
252.02327	0.7
261.14526	0.8
263.91071	0.9
275.16248	1.0
277.14688	1.7
295.16083	1.0
319.15726	0.8
367.17834	1.4
395.20377	11.5
396.20572	0.8
419.20584	0.7
421.19125	1.7
437.21460	26.3
439.19867	4.1
457.21219	2.0
481.20410	100.0
482.20847	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	480.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01868	3.0
55.05506	7.7
56.96548	3.6
57.03421	8.0
57.07072	3.8
61.02913	4.6
64.07086	1.8
65.81059	1.8
67.05491	7.8
69.03423	14.9
69.07075	11.1
70.06578	4.9
70.82235	5.9
71.04991	45.2
73.02888	3.9
73.42946	1.8
75.04472	3.5
79.05479	7.8
81.03410	10.1
81.07054	100.0
82.07349	2.2
83.04981	4.5
85.02899	94.6
85.06499	2.0
86.09657	2.0
87.00823	9.9
87.04446	2.5
91.03966	2.0
91.05466	5.1
93.07033	8.5
95.08597	29.3
95.15335	1.8
97.02874	14.7
97.06512	4.7
98.97560	2.8
99.04436	8.2
99.08053	2.5
105.01862	6.2
105.07004	7.5
107.04942	2.4
107.08575	7.1
109.02868	10.4
109.10144	6.4
111.04425	5.4
116.98639	2.4
119.08553	9.0
121.10128	3.5
123.11743	2.4
125.09573	2.5
125.47247	2.1
127.03918	22.5
129.05470	30.3
131.08620	2.8
133.10065	3.8
134.99622	2.4
135.11635	3.3
137.05922	4.0
137.13255	26.0
142.07788	2.1
145.04944	6.8
146.08119	2.2
147.06523	11.8
147.11717	3.7
148.96494	2.1
151.71100	2.4
159.02855	3.3
161.13213	7.0
163.11142	2.3
164.09189	4.6
165.09125	5.9
172.18265	2.0
179.14328	14.2
197.15300	9.7
209.04332	3.1
231.05016	2.5
243.11298	4.9
252.09132	2.1
285.12314	4.2
347.17975	3.5
399.09283	2.3
436.16061	5.4
473.74799	1.9
480.15701	12.9
481.20093	3.6
486.89380	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.308
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.05507	12.4
57.03439	7.1
57.07072	6.6
61.02908	0.5
62.06057	1.0
67.05166	0.6
67.05497	8.7
69.07060	18.6
70.00430	1.9
70.00839	0.8
71.04987	1.1
71.08630	3.4
79.05484	4.9
81.07044	9.9
83.04970	0.5
83.08142	0.7
83.08613	11.3
85.10158	1.6
86.09689	0.9
88.03968	0.9
91.05480	0.6
93.07040	6.2
95.08594	10.8
97.06529	2.0
97.10152	6.2
98.98406	0.5
107.08575	3.6
109.10165	4.8
111.08085	1.1
111.11689	2.0
115.07599	0.6
119.08541	0.5
121.10146	5.8
123.11717	1.5
124.30965	0.4
125.09679	0.5
135.11716	3.5
139.11180	0.7
149.13217	2.4
153.12692	0.5
155.01082	0.5
163.14841	0.7
222.64313	0.4
247.24115	1.1
265.25211	1.2
267.09052	0.5
308.29492	5.1
315.10864	0.7
315.61240	0.8
334.25928	0.5
339.28909	100.0
340.29297	1.7
349.66147	0.5
394.22815	0.8
480.33206	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3085
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
50.78102	1.4
55.05513	15.8
57.03429	5.3
57.07064	6.0
62.06090	27.1
67.05499	13.6
69.07069	16.7
69.32990	16.7
71.08625	2.5
79.05486	2.7
81.07059	9.2
83.08621	13.3
85.10201	2.2
93.07043	5.0
95.08601	11.5
97.10177	5.9
98.20768	2.7
98.98482	6.7
107.08639	3.5
109.10155	4.5
121.10159	5.6
121.21687	1.3
123.11684	1.9
135.11676	2.4
136.13510	1.4
155.01033	9.6
173.02052	2.1
198.05319	1.7
216.06352	4.3
265.25272	5.8
308.29474	12.3
309.04880	1.7
339.28940	100.0
419.25348	3.0
462.30112	2.6
480.21478	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.7
55.01860	6.7
55.05511	9.0
57.03428	8.5
57.07051	1.7
61.02916	7.1
67.05493	11.6
67.67392	1.7
68.99796	4.2
69.03425	33.3
69.07067	8.3
70.06595	4.1
70.75613	5.4
71.04984	20.7
71.58774	1.7
73.02903	7.6
79.05491	9.6
81.03412	26.4
81.06573	3.5
81.07049	66.0
83.04971	7.0
83.08601	5.9
85.02900	100.0
85.06528	4.0
87.00822	29.8
87.04450	1.7
91.05474	8.6
93.07053	8.9
95.04936	2.3
95.08599	43.3
97.02888	25.7
97.06519	7.1
97.10150	3.0
98.20767	1.9
99.04450	10.2
99.08083	6.3
105.01852	31.3
105.07034	9.7
107.08574	5.3
109.02871	29.7
109.06488	2.3
109.10149	3.5
111.04436	2.4
113.09644	2.2
117.01804	3.0
119.08574	14.7
121.06469	2.3
121.10135	8.0
123.08021	3.1
127.02969	2.4
127.03910	49.2
129.01828	4.3
129.05452	9.5
133.10109	11.2
135.11739	8.5
137.06023	2.0
137.09720	2.2
137.13246	15.4
145.04945	15.3
147.03004	1.8
147.06497	7.2
151.07544	4.0
159.02878	12.2
161.13237	44.9
163.07573	2.1
179.14296	68.5
197.15358	36.3
209.04366	2.1
209.15248	2.2
213.03925	2.0
215.16438	6.1
228.56871	1.6
231.05014	8.7
237.14645	2.1
249.06094	2.8
251.89748	2.0
287.16431	4.1
305.17480	8.1
323.18207	2.8
409.18350	8.3
427.18784	2.0
480.18744	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33614	1.4
50.44633	1.3
53.03949	9.3
53.35599	1.7
55.01871	14.3
55.05510	34.5
57.03433	49.0
57.07065	7.8
59.80218	1.6
60.42950	1.4
61.02908	5.1
65.03938	4.9
67.05501	94.8
68.99758	2.6
69.03424	77.4
69.07063	28.8
69.50703	1.7
71.01341	7.3
71.04996	12.6
71.08611	1.6
71.11838	4.9
73.02908	12.1
79.05486	74.0
81.03413	60.6
81.03894	1.7
81.07051	100.0
83.04979	16.8
83.08614	16.9
85.02900	38.8
85.06541	5.8
87.04455	7.7
91.05474	74.2
93.07037	85.0
95.01337	3.1
95.03298	1.7
95.04953	19.4
95.08601	67.6
97.02881	30.8
97.06530	7.8
97.10159	7.4
99.00831	2.2
99.04448	20.1
99.08080	2.9
101.02364	5.2
103.03933	14.5
103.05408	3.0
105.04543	2.1
105.07020	61.2
107.04953	9.5
107.08588	51.3
109.02875	32.0
109.06525	12.8
109.10149	33.7
111.04441	8.7
111.08097	4.6
113.06049	2.6
115.03933	7.2
115.05456	5.8
116.06248	2.1
117.05513	4.0
117.07010	31.9
119.04951	2.0
119.08568	50.8
121.06508	9.2
121.10139	28.6
123.04433	5.8
123.08072	6.9
123.11709	8.8
125.02358	2.7
125.09608	3.3
127.03899	39.1
127.07506	2.3
128.06218	5.9
129.05534	14.5
129.06979	25.2
130.07800	3.0
131.04945	2.9
131.08556	45.4
133.06480	10.2
133.10114	39.4
135.04451	2.1
135.08051	7.1
135.11676	23.8
137.05994	4.9
137.09608	6.0
137.13231	3.7
139.11253	2.3
141.05443	2.8
141.07001	7.8
142.07803	6.3
143.08542	22.5
145.04991	11.2
145.06465	8.2
145.10110	41.4
145.11279	2.4
147.08026	11.8
147.11678	23.2
149.05957	3.0
149.09625	7.8
149.13229	13.0
151.07532	3.3
151.11201	2.7
155.07269	2.0
155.08517	10.7
157.06480	4.4
157.10135	15.7
159.06812	2.2
159.08012	9.9
159.11670	32.5
161.06068	2.1
161.09637	9.9
161.13263	15.5
163.07539	3.7
163.11186	5.6
163.14812	5.7
165.07031	2.2
165.09074	2.1
167.08603	4.1
169.10132	10.8
171.06728	2.0
171.08080	8.5
171.11662	17.5
173.09651	6.2
173.13251	17.5
175.07516	4.0
175.11208	7.7
175.14815	7.1
177.12744	4.1
181.10117	2.3
183.06699	9.3
183.08109	3.0
183.11685	10.5
185.09634	5.3
185.13249	11.9
187.07436	2.8
187.11169	4.8
187.14825	11.1
189.09116	2.1
189.12781	6.9
189.16342	2.5
191.10724	2.7
191.14334	3.3
193.08562	1.9
195.11681	4.8
197.09634	3.2
197.13229	8.1
199.11281	4.9
199.14771	11.2
201.07607	7.7
201.12796	5.8
201.16429	3.0
203.10649	3.9
203.14227	2.1
205.12257	2.5
209.13290	4.2
211.14838	4.0
213.12825	2.7
213.16406	3.2
215.14365	3.3
217.12161	2.2
217.15965	2.5
225.12823	3.5
227.14293	2.5
233.15395	4.2
239.17943	3.2
241.19525	3.5
243.13713	1.7
243.21176	2.9
245.15366	3.2
253.19582	1.7
257.15283	1.8
259.20587	5.2
261.22110	16.7
267.21066	1.7
271.20691	2.3
273.22134	7.8
277.21609	4.7
285.22202	7.6
289.21735	4.9
291.23111	2.4
297.22070	2.2
299.23734	2.6
301.21732	6.9
303.23190	7.4
309.21994	2.5
315.23285	8.6
317.24677	2.5
319.22556	3.4
323.23758	2.6
327.23004	10.9
331.22849	2.1
335.25781	7.8
339.23257	3.0
341.24814	8.3
345.24243	8.0
351.22913	12.2
353.27023	2.1
359.25851	4.8
369.24182	30.8
375.25848	2.8
387.25232	20.2
389.26974	1.9
401.27032	2.4
405.26462	4.1
419.27872	3.8
425.26865	3.8
431.28064	4.2
443.27887	24.9
449.29065	7.1
461.28943	49.4
461.35248	3.4
479.30029	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.6
53.03939	8.5
55.01869	6.1
55.05512	46.5
56.96557	3.0
57.03431	9.7
57.07108	3.6
65.03938	4.4
65.64737	2.5
65.68176	2.5
67.05502	86.7
69.03410	5.6
69.07062	39.7
69.14035	2.5
69.20127	2.8
70.12916	11.1
71.04988	9.0
73.43434	2.2
79.05488	70.1
81.03414	8.0
81.07053	93.8
83.04984	8.5
83.08610	34.4
85.02894	4.5
85.06537	8.1
91.05473	98.5
93.07036	67.9
95.04963	21.1
95.08601	50.6
97.06539	11.6
97.10165	10.1
99.08102	4.5
103.05438	4.1
105.04508	2.7
105.07024	80.5
105.76744	2.8
107.04949	21.9
107.08602	29.7
109.06507	9.6
109.10170	15.2
111.08089	8.0
113.19356	2.5
115.05428	13.0
117.07004	59.6
119.04938	4.8
119.08573	40.8
121.06489	15.0
121.10149	26.4
123.08083	11.4
123.11709	3.4
125.09641	9.5
128.06227	18.2
129.06990	66.1
131.04942	3.0
131.07565	5.5
131.08556	100.0
133.06509	8.1
133.10101	25.5
135.08058	11.4
135.11707	12.3
137.05965	4.5
139.11195	6.8
141.06978	27.6
142.07767	8.6
143.08548	56.5
144.09276	2.8
145.06494	12.5
145.10117	42.3
145.11163	4.7
147.08009	16.7
147.11668	12.9
148.22346	2.9
149.09630	10.8
149.13277	7.1
151.11142	2.8
153.07018	7.8
154.07709	3.7
155.08551	44.7
156.09505	2.7
157.06520	6.1
157.10110	30.0
159.08047	11.1
159.11618	19.7
161.09581	4.2
161.13303	2.6
163.11182	6.8
165.06970	7.7
166.07715	3.1
167.08534	20.7
169.10106	27.5
171.08012	5.5
171.11681	20.8
173.09584	3.9
173.13242	4.4
175.09676	4.3
175.11125	5.9
177.12718	9.0
178.07925	2.8
179.08522	9.2
180.09375	3.2
181.10129	21.0
183.11676	15.6
185.09605	3.4
185.13278	15.6
187.11168	3.1
187.14859	3.9
189.11220	3.8
193.10115	6.8
195.11633	19.8
195.13393	2.9
197.09584	3.9
197.13225	14.6
199.14864	7.5
201.12811	5.3
203.12585	3.0
207.11685	7.4
207.13821	5.4
209.13293	11.4
211.11288	3.5
211.14830	7.2
213.12747	6.9
213.16408	5.5
215.14357	3.7
219.13893	3.5
221.13223	23.3
223.14899	20.4
225.16402	6.1
227.14331	6.0
233.13231	4.4
233.15392	9.2
235.14853	6.9
237.16457	5.5
239.14317	11.3
241.15907	3.8
243.13873	4.2
245.13223	4.8
245.15524	3.5
247.17105	3.9
253.15749	6.7
257.15424	12.7
259.17133	3.7
261.18588	3.6
267.17343	3.7
271.16922	11.1
275.16531	3.7
285.18344	7.5
305.22626	5.8
315.21115	3.6
323.23776	12.1
333.22128	26.8
341.24716	17.2
351.23163	79.1
359.25995	4.5
369.24216	81.6
370.24911	4.3
387.25287	45.6
389.58731	3.2
405.26599	3.6
443.27649	18.1
461.28928	44.8
479.29791	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	479.2979
Annotation	Tupichigenin B
Peak:m/z	Relative Intensity
51.84860	2.0
54.22791	1.7
55.05515	3.7
56.96561	3.8
57.03408	2.7
57.07062	2.3
61.02923	2.5
67.05502	6.9
69.03419	4.2
69.07056	2.1
70.39152	6.1
71.36750	2.0
79.05480	4.2
81.03401	3.9
81.07053	9.0
83.08618	2.6
83.75124	2.0
85.02888	3.6
91.03976	2.5
91.05471	5.0
93.07012	3.5
95.08593	6.4
95.86292	2.3
96.99903	1.7
97.02867	3.3
101.82591	2.2
105.07037	2.9
107.08573	3.8
109.10158	2.4
127.03970	2.1
131.08504	4.1
135.11703	2.3
142.51158	1.8
160.01358	1.9
177.00717	2.9
179.13780	2.5
194.98773	2.1
195.00278	12.2
202.47444	1.8
285.24429	2.5
299.08093	2.0
301.13159	2.8
307.28287	7.2
316.11862	4.7
331.10129	2.7
331.60516	1.9
390.13657	2.1
393.22473	13.5
461.28693	45.1
479.29773	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.1
55.01860	8.9
55.05257	2.8
55.05509	42.7
56.96552	2.5
57.03421	7.8
65.03940	7.0
67.05499	71.4
69.03412	4.3
69.06719	2.8
69.07068	36.6
71.04988	6.3
71.42115	2.8
78.48957	1.9
79.05487	76.4
81.03418	5.6
81.07055	81.7
83.04960	7.7
83.08615	34.6
85.02915	4.2
85.06522	7.5
91.05476	100.0
93.06467	3.9
93.07038	66.4
95.04964	15.7
95.08598	50.8
97.06508	13.3
97.10139	11.0
99.08081	3.2
101.06036	2.3
101.67390	2.3
103.05463	6.6
105.04535	2.2
105.07032	79.4
105.07754	3.7
107.04952	13.6
107.08588	29.5
109.02838	3.0
109.06507	9.8
109.10157	13.9
111.08075	10.8
115.05457	9.8
116.06229	3.5
117.07017	63.3
119.04887	3.2
119.08570	38.2
121.06519	12.1
121.10159	20.1
123.08049	7.8
123.11717	3.3
125.09646	5.3
128.06213	20.1
129.07005	79.2
130.07784	2.4
131.04927	4.9
131.08563	88.7
133.06487	12.0
133.10132	26.1
135.08049	11.4
135.11719	14.9
137.09598	4.5
139.11157	3.3
141.06967	24.6
142.07748	7.6
143.08562	57.9
145.06471	14.6
145.10123	34.1
147.08028	13.6
147.11655	11.9
149.09628	12.4
149.13255	5.0
151.11121	4.7
153.06929	6.2
154.07799	4.8
155.08543	40.3
157.06447	7.5
157.10123	33.4
159.08041	6.3
159.11703	23.6
161.09615	6.0
161.13274	3.9
163.11128	8.0
165.06992	5.7
165.65849	2.3
167.08549	21.3
168.09335	3.4
169.10103	26.7
171.08075	5.5
171.11633	19.7
173.09563	6.7
173.13248	8.1
175.09689	5.0
175.11165	7.5
177.12744	9.2
178.49677	3.1
179.08553	8.1
180.09279	3.0
181.10103	20.2
183.08041	2.3
183.11674	15.4
185.09634	5.4
185.13293	13.5
187.11127	7.0
187.14839	4.4
189.11226	2.4
189.12775	3.2
193.10121	6.2
195.11731	21.4
196.12250	2.5
197.13275	12.9
199.11139	4.3
199.14749	5.3
201.12801	4.3
203.14293	3.3
205.10275	2.6
205.12227	5.2
206.10849	3.1
207.11659	8.3
209.13274	15.1
211.11197	4.6
211.14879	10.8
213.12859	4.8
213.16295	5.8
215.14311	8.5
219.11760	4.6
221.13316	21.4
223.14792	15.9
225.12708	6.1
225.16371	4.6
227.14310	5.0
229.07373	2.9
233.13220	3.5
233.15295	5.3
235.14819	8.5
237.16417	4.2
239.14282	14.1
241.15886	5.3
247.17017	3.0
249.16394	2.6
253.15793	6.7
257.15332	9.4
259.17023	4.0
271.16959	12.1
273.18692	2.4
275.16556	2.8
285.18600	2.9
305.22754	5.4
307.19070	5.0
315.21146	3.3
323.23593	10.0
333.22107	25.3
341.24728	21.0
351.23199	63.5
359.26044	2.5
369.24265	57.4
381.19617	2.6
387.25345	29.5
399.10611	2.4
405.26566	3.7
443.27634	22.2
461.28766	32.5
479.29999	15.1
502.81659	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84860	2.0
54.22791	1.7
55.05515	3.7
56.96561	3.8
57.03408	2.7
57.07062	2.3
61.02923	2.5
67.05502	6.9
69.03419	4.2
69.07056	2.1
70.39152	6.1
71.36750	2.0
79.05480	4.2
81.03401	3.9
81.07053	9.0
83.08618	2.6
83.75124	2.0
85.02888	3.6
91.03976	2.5
91.05471	5.0
93.07012	3.5
95.08593	6.4
95.86292	2.3
96.99903	1.7
97.02867	3.3
101.82591	2.2
105.07037	2.9
107.08573	3.8
109.10158	2.4
127.03970	2.1
131.08504	4.1
135.11703	2.3
142.51158	1.8
160.01358	1.9
177.00717	2.9
179.13780	2.5
194.98773	2.1
195.00278	12.2
202.47444	1.8
285.24429	2.5
299.08093	2.0
301.13159	2.8
307.28287	7.2
316.11862	4.7
331.10129	2.7
331.60516	1.9
390.13657	2.1
393.22473	13.5
461.28693	45.1
479.29773	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.2
54.98584	1.7
55.01866	16.1
55.05263	2.7
55.05510	37.1
57.03435	44.8
57.07059	5.1
61.02906	2.6
65.03927	7.2
67.05503	99.7
69.03427	68.7
69.03983	1.9
69.07063	33.1
71.01374	8.4
71.04988	12.3
71.59429	2.0
73.02914	12.5
74.64550	1.6
75.04478	3.7
77.03954	2.0
77.63910	1.9
79.05492	72.9
81.03417	57.3
81.07053	100.0
83.04977	18.2
83.08629	14.9
85.02901	35.4
85.06520	5.9
87.04460	7.8
91.04896	2.2
91.05476	77.3
93.07046	81.4
95.01356	2.8
95.04971	24.5
95.08607	76.6
97.02889	28.5
97.06523	10.0
97.10167	7.6
99.00806	2.0
99.04454	19.3
99.08122	1.9
101.02375	3.8
103.03933	15.0
103.05443	2.8
105.07027	75.8
107.04960	10.1
107.08592	47.0
109.02871	34.9
109.06531	11.5
109.10152	28.9
111.04424	12.2
111.08085	5.5
115.03915	7.5
115.05446	6.3
116.06225	3.1
117.05576	2.0
117.07021	30.3
119.04961	3.2
119.08579	49.3
121.06493	11.1
121.10148	38.0
123.04383	4.6
123.08076	7.8
123.11733	11.9
125.02380	1.9
125.05968	2.0
125.09612	4.0
127.02969	2.4
127.03911	33.6
128.06224	7.9
129.05502	15.9
129.06993	25.9
130.07764	2.7
131.04922	3.1
131.08569	47.1
133.06483	10.8
133.10130	33.7
133.11079	3.1
135.08086	8.5
135.11678	25.4
137.05954	5.0
137.09644	6.1
137.13222	1.8
139.03900	2.2
141.05415	2.1
141.07051	9.7
142.07793	5.1
143.07011	2.4
143.07384	2.4
143.08557	23.8
145.04950	10.3
145.06516	8.8
145.10117	42.4
147.08066	11.0
147.11679	29.5
149.05957	3.0
149.09644	8.7
149.13260	14.4
151.11119	3.7
153.07027	2.3
155.07156	3.0
155.08572	9.9
157.06496	5.1
157.10121	17.7
159.08055	7.4
159.11690	28.7
161.05975	3.2
161.09637	7.8
161.13239	20.2
163.07556	2.3
163.11150	6.7
163.14848	5.4
165.09178	3.0
167.08586	5.6
169.10072	11.8
171.08037	4.5
171.11668	20.5
173.09665	7.2
173.13251	21.7
175.07481	2.5
175.11140	7.7
175.14822	5.4
177.09106	2.5
177.12773	3.5
179.08553	1.7
181.10158	7.3
183.06514	11.4
183.07953	3.0
183.11688	8.8
184.07314	2.6
185.09660	3.8
185.13266	14.8
187.11185	7.4
187.14809	12.8
189.12776	6.6
193.12280	2.7
195.11806	4.8
197.09706	2.9
197.13260	10.0
199.11203	4.8
199.14835	6.6
201.07507	10.3
201.12744	5.5
201.16360	2.9
203.10631	2.0
203.14229	2.5
205.12222	2.4
207.11700	2.5
207.13721	1.9
209.13228	5.1
211.11232	3.1
211.14848	4.3
213.12793	6.4
213.16399	3.5
215.14249	4.2
217.15794	3.3
219.17650	2.0
223.14920	3.6
227.14427	2.4
231.13934	2.1
235.14859	2.1
241.15770	2.1
241.19589	4.9
243.17467	2.7
243.21080	5.2
247.16988	1.8
253.19536	1.8
259.20560	8.3
261.22235	13.7
263.20178	2.3
271.20477	2.9
273.22189	7.1
275.20108	2.8
277.18839	2.0
277.21729	4.8
283.20535	2.6
285.22095	4.3
287.23657	2.2
289.21683	5.2
291.23151	2.7
297.22260	3.6
299.20218	2.7
299.23740	5.0
301.18106	1.9
301.21555	5.1
303.23212	7.6
313.21591	4.2
315.23065	9.4
317.24756	4.4
319.22693	2.0
323.23679	2.2
327.23083	11.4
331.22684	3.0
333.24289	1.9
335.25735	6.9
339.23145	2.2
341.24677	9.6
345.24207	9.3
351.22989	11.1
359.25851	5.6
363.25336	2.6
369.24179	28.9
377.27365	1.9
387.25275	23.3
389.26923	2.9
401.27176	2.0
405.26208	5.8
413.27029	2.1
415.28607	2.8
416.57410	1.9
419.28036	3.5
425.26938	4.5
431.28027	4.3
443.28073	26.1
449.28915	4.0
461.28949	49.9
479.30026	74.7
481.42596	1.9
488.09058	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03898	0.7
55.01831	0.8
55.05481	1.4
56.96556	0.9
58.75759	0.7
58.99849	1.5
67.05476	2.2
69.03410	1.2
69.07051	1.4
70.06570	0.7
70.55675	1.6
70.56057	1.3
75.90184	0.6
77.00910	5.3
79.05499	1.5
81.03371	1.2
81.07027	2.9
83.08612	0.9
85.02886	1.1
91.05441	1.9
93.07001	1.8
95.01935	4.6
95.04945	1.0
95.08582	1.8
97.02831	0.6
98.21414	0.9
99.04443	0.7
105.07009	1.5
107.04944	0.9
107.08560	1.8
109.06463	0.8
109.10117	1.5
111.04411	0.7
119.08566	1.3
123.11729	0.8
127.03896	1.5
129.03918	0.7
133.03418	0.9
141.03925	1.7
143.05536	1.2
147.11661	1.3
151.16408	0.6
153.03944	1.0
155.05510	4.5
159.05026	3.7
160.31549	0.7
161.06589	4.0
165.09062	0.9
167.06966	0.8
169.07059	4.1
169.10686	1.1
171.05014	1.9
173.06581	8.7
175.08130	0.7
177.06125	1.1
179.09077	1.0
183.04944	1.8
185.06555	1.3
187.04453	1.0
187.08148	11.7
191.07599	2.0
195.08667	3.8
197.10243	7.5
199.08171	1.7
201.06041	3.3
201.07664	2.1
201.09470	0.7
203.07518	1.3
203.09190	1.3
205.05560	2.5
205.09123	1.3
205.10837	1.1
207.12320	1.8
211.08250	0.8
213.09721	12.0
215.09256	1.5
215.11243	10.3
219.07016	5.9
219.08914	1.5
221.10136	3.6
223.11748	3.0
225.09926	0.8
225.13333	9.1
231.10767	2.4
233.10162	4.9
237.09724	0.9
239.11244	14.3
241.10724	0.8
241.12990	1.2
243.14391	18.6
248.15050	0.8
251.11267	63.6
252.11481	0.8
257.12332	8.3
259.12180	2.0
261.15405	2.6
266.16281	0.7
269.12326	100.0
270.12524	2.9
274.12863	5.6
285.10059	0.9
287.13373	62.8
288.13657	1.1
292.13904	5.9
302.35056	0.7
309.31189	0.9
310.14929	3.9
387.25098	0.8
435.25668	1.5
461.23804	20.0
461.28348	0.9
479.19650	3.8
479.24847	99.5
480.25269	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	0.5
69.03406	0.9
69.07051	0.4
70.93602	0.5
70.93930	0.6
81.03375	0.9
81.07040	0.9
85.02920	0.4
91.05492	0.6
93.07026	1.0
95.08589	0.8
97.06514	0.5
105.06985	0.5
107.08517	0.5
109.02858	0.6
109.10125	0.9
119.08528	0.4
121.10127	0.7
127.03874	0.5
129.20345	0.4
133.10141	0.6
136.85995	0.3
144.48679	0.4
147.11684	0.7
151.07495	0.4
161.02965	0.5
167.03174	0.4
185.04260	1.1
203.05281	2.3
203.06847	0.4
213.12480	0.9
227.05302	0.7
231.13565	1.3
243.04778	0.5
245.06334	4.9
271.04251	1.1
287.03748	1.3
289.05283	58.7
290.05499	0.5
291.14334	0.5
308.19046	0.5
312.55124	0.4
393.18509	0.6
435.19916	8.6
479.18872	100.0
480.19122	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1553
Annotation	Myrciacitrin III
Peak:m/z	Relative Intensity
53.03925	0.9
55.01867	1.2
56.96558	0.9
62.76467	0.7
65.03915	1.0
67.05498	1.6
69.03423	3.5
69.07047	1.0
70.06585	3.1
70.37373	0.7
71.04985	1.4
71.59363	1.3
72.08154	1.3
79.05492	2.6
81.03413	3.7
81.07047	4.1
83.04993	1.4
84.04457	0.6
84.08139	1.7
85.02910	7.1
86.09707	3.7
91.05478	1.8
93.07043	3.0
94.04205	1.7
95.08598	2.0
97.02893	2.5
97.06510	1.7
99.04442	1.6
105.01860	0.8
105.07035	2.3
107.04975	1.2
107.08617	1.3
109.02841	1.5
109.06544	0.7
109.10159	2.0
110.07211	0.9
111.08064	0.9
116.98632	0.6
117.07003	0.9
119.08563	2.0
120.08133	1.8
121.10149	1.2
122.03626	3.9
122.06046	0.8
125.06006	1.2
125.09635	0.9
127.03899	2.7
131.08528	0.9
133.10133	1.7
135.08087	1.0
135.11676	1.2
137.05978	100.0
138.06325	1.7
145.02800	0.9
145.04965	1.0
145.10170	1.7
151.03957	1.3
158.09628	0.8
163.03914	1.8
166.38304	0.7
167.07101	1.2
177.05492	1.6
181.04968	1.5
183.11911	0.7
187.11150	0.7
193.04962	2.8
213.14705	1.4
213.18477	1.5
228.04242	0.9
229.04938	1.0
274.04709	3.2
277.35284	0.8
289.05255	2.2
301.03354	5.6
302.04218	26.8
302.07513	1.6
303.04587	0.8
317.06558	51.2
317.10220	13.2
318.07010	1.8
334.13751	1.4
426.17877	0.9
435.15616	0.9
479.19382	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	479.1184
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03931	0.6
55.01862	0.8
55.05496	0.7
56.96545	0.3
57.03416	0.6
59.85893	0.2
61.02929	1.7
65.03936	0.4
67.05498	0.9
69.03424	3.6
69.07048	0.7
69.99198	1.0
70.06580	0.9
71.04980	0.5
72.08152	0.3
73.02900	0.9
79.05485	0.9
81.03413	2.3
81.07041	1.6
82.07422	0.2
83.04969	0.2
83.08598	0.3
84.08143	0.4
85.02902	9.0
86.09709	0.4
87.04452	0.3
91.03941	0.7
91.05470	1.0
93.03419	0.3
93.07030	1.4
95.04974	1.1
95.08611	1.4
97.02896	3.5
97.06542	0.3
99.04436	0.8
100.11251	0.3
105.01856	0.4
105.07017	0.8
107.04945	0.4
107.08585	0.8
109.02866	1.5
109.06528	0.3
109.10123	0.9
111.04422	0.3
117.07049	0.3
119.08554	0.8
120.08102	0.6
121.02856	0.6
121.06513	0.2
121.10143	1.0
122.10463	0.3
123.04423	1.5
123.11712	0.4
124.01558	0.5
125.02343	0.8
127.03907	2.5
131.08591	0.4
133.10152	0.4
135.04343	0.3
135.08008	0.2
135.11658	0.6
137.02336	2.9
137.05949	0.3
143.08553	0.3
145.02901	0.3
145.04945	1.4
145.06497	0.2
145.10098	0.5
147.11636	0.2
149.02348	0.6
149.09692	0.2
149.13229	0.3
151.03897	1.0
151.07407	0.2
157.10016	0.2
159.08142	0.2
163.03888	0.7
165.09108	0.3
167.03383	4.3
167.06978	0.2
172.44736	0.2
177.16434	1.5
178.16707	1.0
179.03378	1.7
182.15425	0.2
183.04265	0.2
185.04370	0.3
193.04948	0.3
194.75777	0.2
197.04405	0.6
200.04718	0.4
210.14812	0.4
211.04042	0.2
215.06998	1.6
228.04123	0.3
243.06516	3.7
245.06480	0.2
256.03519	0.3
257.04239	0.4
261.07602	0.5
271.06003	2.1
273.03922	0.5
274.04736	3.6
288.06290	0.8
289.05002	1.1
299.05460	0.8
302.04245	2.7
317.06549	100.0
318.06985	1.4
342.25079	0.3
416.24463	0.4
417.24719	0.6
435.19839	0.4
436.31464	0.3
437.18161	0.3
479.18805	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45321	0.2
53.03932	0.6
55.01867	0.5
55.05507	0.3
57.03444	1.2
61.02931	5.7
65.03915	0.3
66.70968	0.2
67.05494	0.6
68.99783	0.5
69.03432	3.6
69.07072	0.2
70.06579	1.0
71.04996	0.5
72.08134	0.4
73.02922	1.4
75.81240	0.2
76.75569	0.2
79.05487	0.6
81.03419	3.1
81.07050	0.5
84.04533	0.3
84.08118	0.5
85.02907	8.0
86.09708	1.2
87.00821	0.8
87.04457	0.7
91.03963	3.6
91.05473	0.5
92.02626	1.0
93.03416	1.2
93.07027	0.6
95.04988	0.5
97.02899	3.4
99.04456	1.4
101.02387	0.3
105.01854	0.3
105.07013	0.4
107.08549	0.3
109.02893	2.1
109.10124	0.3
110.07182	0.3
111.04426	0.3
111.08076	0.2
111.29760	0.3
111.99253	0.2
120.08112	0.8
121.02881	1.1
122.06012	0.2
123.04428	0.3
125.02335	0.4
126.03143	0.4
127.03069	0.4
127.03931	4.8
133.10100	0.3
136.07552	0.4
137.02351	0.5
137.05995	0.8
139.03885	0.9
145.04953	0.9
151.03897	1.0
153.01833	8.3
164.07095	0.4
165.01874	0.7
165.05513	0.3
168.00505	0.3
169.05006	0.3
177.05455	0.3
183.02954	0.3
186.01585	0.6
187.06055	0.2
200.04759	0.3
201.05472	0.6
203.03400	0.5
207.06384	0.3
213.03883	0.4
213.14781	0.3
217.04941	0.7
218.05760	0.4
219.02849	0.3
228.04199	1.3
229.05016	3.4
231.02859	0.5
231.04984	0.5
245.04488	1.3
246.05318	1.9
257.04520	2.7
260.03149	0.3
261.07574	0.5
271.06021	0.4
273.03851	1.7
274.04736	3.8
275.05170	0.3
284.03073	0.4
285.03952	4.8
286.04645	0.2
299.05307	0.2
302.04236	18.2
303.04959	2.8
317.06570	100.0
318.06863	1.5
329.06653	0.8
354.95981	0.2
355.08777	0.3
359.07748	0.5
377.83945	0.3
383.07535	0.5
411.77942	0.2
461.09793	0.8
478.39578	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1184
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
57.03418	0.8
60.04514	0.4
61.02641	0.6
61.02922	7.7
66.92676	0.3
69.03432	1.9
70.00090	2.1
70.06570	1.0
71.04961	0.6
72.08145	0.9
73.02909	1.9
79.05483	0.4
81.03407	1.4
84.08138	0.6
85.02423	0.5
85.02901	5.5
86.09700	0.7
91.03954	3.7
92.02630	1.0
93.03390	1.2
93.07044	0.5
97.02898	3.6
98.97588	0.5
99.04441	0.4
107.08553	0.4
113.00288	0.4
119.08495	0.3
120.08112	0.5
121.02862	0.7
121.10017	0.4
123.04388	0.5
127.03896	1.3
137.05978	0.4
139.03906	1.6
145.04933	0.7
151.03914	0.9
153.01816	8.6
157.03502	0.4
165.01779	0.8
177.05479	0.4
183.04562	0.5
201.05461	0.6
203.03389	0.5
217.04922	1.4
218.05765	0.7
228.04190	1.6
229.04947	3.9
231.02948	0.5
245.04469	1.8
246.05252	2.3
257.04425	2.6
260.03174	0.5
273.03937	1.9
274.04700	4.3
279.20911	0.5
284.03076	0.7
285.03955	4.4
299.05887	0.5
302.04211	11.0
317.06537	100.0
318.06937	1.8
395.32513	0.4
472.21875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71112	0.7
53.03941	7.7
55.01870	3.9
55.05501	3.2
56.96556	1.0
57.03429	5.7
59.04733	0.7
61.02909	3.2
67.05496	5.1
68.99783	5.6
69.03423	41.4
69.07051	1.8
71.01336	1.3
71.04986	9.0
71.59129	0.8
73.02908	2.3
79.05478	1.6
81.03414	53.6
81.07059	5.5
83.01321	0.8
83.04980	7.6
84.08134	0.8
85.02898	54.8
86.09682	0.9
87.00827	16.3
87.04462	1.0
91.05472	2.2
93.07041	2.1
95.04948	2.6
95.08583	3.0
97.02892	14.6
97.06532	1.0
99.04448	19.0
103.03929	2.8
105.01851	7.8
105.07020	2.7
106.89087	0.7
107.04955	1.6
107.08600	1.7
109.02870	38.8
109.06523	1.2
109.10152	2.1
111.04433	5.3
111.08100	0.9
113.02411	0.9
115.03887	1.0
119.04910	1.2
119.08593	1.7
121.02879	1.2
121.06502	1.3
121.10159	1.8
123.04398	2.9
123.11725	1.5
125.02345	2.5
127.03909	100.0
129.01785	4.6
131.08604	1.6
135.04494	0.9
135.11711	0.8
137.02333	1.2
137.05937	1.5
139.03851	1.3
141.05489	1.1
143.03467	1.0
143.08513	1.0
145.04962	4.5
145.10196	1.0
147.02890	1.8
147.04338	0.9
149.02341	1.0
149.09604	0.9
151.03914	2.5
153.05539	1.1
155.03349	1.1
159.02928	1.2
159.11674	1.4
163.03825	1.2
163.11147	0.9
165.09138	0.9
167.03374	0.8
169.04945	3.6
171.02835	2.6
173.04427	1.5
181.04936	0.9
185.04430	0.9
187.06006	2.8
189.03984	5.5
193.05031	1.4
205.05026	1.0
213.03946	12.7
215.05409	0.9
217.04955	1.0
219.06552	2.3
231.04991	10.2
235.05891	1.2
255.04962	2.3
257.36053	0.7
273.06030	5.0
333.56238	0.8
339.06958	1.4
357.07935	0.8
367.64087	0.8
443.08212	2.2
443.27652	1.3
461.09229	16.0
461.28674	1.0
462.10461	0.8
479.10742	1.0
479.18988	2.6
481.90033	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32560	2.0
51.52942	2.1
53.03934	7.9
55.01877	4.0
55.05498	4.7
55.50850	2.0
57.03419	8.5
58.81100	2.0
61.02911	3.0
67.05485	3.5
68.50240	2.3
68.99767	7.4
69.03426	41.9
69.07035	2.6
69.52591	12.3
69.53020	6.4
70.06596	16.8
71.04983	9.8
72.08148	6.5
73.02888	2.7
79.05479	4.6
81.02980	4.4
81.03419	53.6
81.07042	4.2
83.04974	12.6
84.04495	3.2
84.08118	7.9
85.02901	60.9
86.09686	13.1
87.00831	18.5
88.97824	2.1
91.05460	10.1
93.07052	5.0
93.83981	2.1
95.04944	5.9
95.08593	3.7
97.02882	18.4
97.23967	2.1
99.04454	18.9
103.03939	4.7
105.01845	6.3
105.07003	3.2
109.02880	39.4
110.07236	2.3
111.04427	8.4
119.04968	2.3
119.08623	2.0
120.08108	6.1
121.02883	2.6
121.10110	2.7
123.04404	5.6
125.02364	3.1
127.03913	100.0
129.01857	3.4
129.05423	2.6
129.10233	3.3
129.74423	2.5
131.08560	3.2
132.99910	2.1
136.07581	5.5
137.05981	13.4
139.03860	2.7
145.04922	5.6
151.03944	4.2
155.03442	3.3
155.98813	2.2
164.07071	3.0
169.04926	8.0
171.02895	3.7
181.04932	4.1
185.13156	2.2
186.09135	2.3
189.03964	8.9
191.08113	4.4
193.05002	2.7
213.03928	14.4
227.08441	2.6
231.04965	12.8
273.06046	10.5
317.06497	7.1
443.08020	3.1
461.09244	15.4
479.14859	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	479.1159
Annotation	6-Methoxykaempferol 3-glucoside
Peak:m/z	Relative Intensity
55.89048	1.4
60.18449	1.3
60.36095	1.3
64.68572	1.1
71.58875	1.5
84.56569	1.2
117.57501	1.5
128.00209	5.7
146.01248	6.9
155.01242	3.4
173.02356	7.8
180.50525	1.3
188.15527	1.4
191.03358	2.2
201.01826	1.2
207.15524	1.4
219.02846	3.7
237.03882	3.5
281.04337	1.2
299.05453	6.6
317.06424	19.3
335.07739	1.9
359.07584	4.7
475.46649	1.4
479.11536	100.0
480.11804	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1175
Annotation	Selgin 7-O-glucoside
Peak:m/z	Relative Intensity
50.34423	1.1
56.96557	9.7
67.93542	1.2
71.08916	3.1
80.17063	1.3
83.97632	2.2
101.56046	1.4
109.99146	16.5
110.97573	2.2
128.00195	35.8
128.98619	4.0
128.99683	1.4
129.98146	3.5
146.01248	41.2
146.99637	2.6
147.99197	3.5
155.00136	2.8
155.01256	21.1
155.99684	1.7
158.01303	1.5
163.03825	1.8
164.02304	8.1
169.02876	1.5
172.02875	2.8
173.02347	60.9
181.01645	1.3
183.00739	2.4
184.02812	1.4
186.06273	1.3
190.00328	1.3
191.03394	19.3
196.04018	1.7
197.02257	1.4
201.01801	7.8
208.02785	2.9
210.04539	1.3
219.00717	1.6
219.02869	30.3
226.03871	4.2
228.01888	1.3
236.02293	1.5
237.03893	24.5
243.02940	5.2
251.03326	1.7
253.04930	10.9
254.03316	1.5
255.02698	1.5
261.03998	1.6
263.03516	2.2
269.04419	3.7
281.04352	14.9
287.05417	2.6
299.05450	32.8
299.08548	2.7
303.39948	1.4
317.06531	100.0
335.07568	23.3
335.11298	1.9
340.08215	3.7
341.06525	18.3
353.06558	1.7
359.07587	45.1
371.07672	1.3
381.07996	2.1
389.08615	11.5
444.15741	1.3
479.11469	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50993	8.0
66.02860	9.4
70.86203	20.4
70.86538	9.3
87.87566	8.6
94.93008	28.4
112.89612	47.5
114.89335	10.9
123.33900	8.5
136.93997	68.8
146.01318	13.9
148.94017	29.1
154.94208	11.5
156.53001	9.0
166.95093	38.9
172.95279	39.2
188.67242	8.5
190.96278	20.8
191.03383	8.6
192.15971	8.9
196.96208	14.4
214.96329	25.0
214.99852	9.7
228.69980	9.4
232.97333	9.8
233.26677	8.6
244.97322	10.4
248.89633	27.9
253.05132	12.0
255.54701	9.4
256.98410	17.2
277.92200	14.9
281.04361	9.2
316.99588	22.6
317.06741	12.6
381.07980	100.0
403.06116	10.7
419.03528	71.5
479.04672	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	479.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.1
55.01867	3.7
55.05497	7.7
55.77733	2.4
57.03434	6.1
61.02934	3.1
67.05502	13.1
68.99787	7.3
69.03423	48.8
69.07053	7.0
69.31393	15.6
69.31825	9.8
71.04988	6.8
79.05475	7.4
80.98672	2.3
81.03417	51.0
81.07049	18.8
83.04959	9.6
85.02901	56.2
86.09718	2.5
87.00822	18.3
87.56574	2.3
91.05482	5.5
93.07048	10.1
95.04956	7.3
95.08595	7.8
97.02888	14.5
97.06532	3.0
99.04458	13.9
99.52098	2.9
100.11240	5.1
105.01852	6.5
105.07014	6.9
107.05023	2.9
107.08572	7.2
109.02876	43.5
109.06483	3.5
109.10138	8.6
111.04438	9.4
117.06993	4.2
119.08571	7.9
121.06488	3.8
121.10149	7.1
123.04408	6.9
123.08103	2.8
123.11667	4.4
125.02359	6.4
127.03912	100.0
129.01866	3.7
131.08562	3.8
133.10138	6.5
135.11676	4.1
137.02361	5.3
137.05984	4.1
143.08559	3.8
145.04916	5.0
145.10095	6.0
157.10146	3.0
159.11681	2.8
161.13147	3.5
165.09061	4.0
167.08476	2.6
169.04976	4.2
187.06076	3.3
189.03938	5.5
197.13298	2.8
213.03967	11.2
231.04993	11.0
273.06052	4.4
320.90216	3.1
416.24240	3.1
417.24640	8.1
437.18665	6.3
449.12335	2.6
461.09085	16.9
461.27258	5.6
479.18848	9.5
479.29590	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2928
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03952	0.6
55.05264	0.9
55.05514	11.8
57.03227	0.5
57.03441	5.1
57.07063	2.5
62.06089	30.7
65.03935	1.7
67.05502	31.2
67.28812	0.5
69.06716	1.1
69.07064	13.2
69.96720	2.8
70.06561	0.6
71.04983	1.3
79.05493	8.4
81.07056	28.8
83.04971	0.9
83.08629	5.2
83.97569	0.6
85.06582	0.9
87.21228	0.6
91.05475	5.2
93.07037	7.6
95.04941	1.2
95.08604	22.6
97.06532	2.0
97.10170	1.9
98.06051	1.4
98.98460	8.8
105.07035	3.9
107.08604	5.8
109.10149	8.2
111.08053	0.7
119.08556	3.1
121.10137	4.8
123.11720	3.9
124.01595	2.1
131.08560	0.6
133.10158	3.7
135.11679	3.1
137.13261	1.3
142.02682	1.4
147.11711	1.2
149.13292	1.2
155.01024	5.7
161.13324	1.1
162.54790	0.6
163.14839	0.7
173.02121	2.4
175.14847	1.3
177.16464	0.6
189.16385	0.7
198.05231	2.1
211.40915	0.6
216.06325	3.1
245.22672	2.8
263.23672	5.6
289.84506	0.5
306.27893	9.8
319.26297	1.5
337.27356	100.0
338.27643	1.7
362.02063	0.6
417.24091	0.8
424.74063	0.6
460.28278	2.8
478.20343	0.7
478.28836	1.7
479.29849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01868	4.1
55.05513	5.8
56.05023	2.2
57.02604	2.0
61.02924	2.6
66.16802	1.7
66.30647	1.8
67.05515	4.6
69.03431	16.5
69.07079	10.6
69.91232	2.0
70.06577	4.8
70.13068	3.6
70.13484	7.8
71.04983	6.2
72.08169	2.7
73.02913	3.7
76.04063	1.7
79.05492	5.9
81.03434	9.7
81.07048	12.7
83.08606	7.6
84.08164	4.6
84.98782	2.1
85.02914	26.4
86.09706	3.2
87.00852	11.6
91.05493	4.0
93.07040	12.7
95.04975	2.2
95.08614	28.4
97.02894	11.6
97.10171	6.4
99.04437	6.9
99.08086	9.2
105.01883	12.8
105.07021	5.5
107.08595	33.1
109.02876	6.9
109.10141	9.3
111.08095	2.2
117.33739	1.7
119.35051	1.8
120.08151	2.2
121.10149	50.1
123.11788	2.5
125.09698	3.8
127.03914	15.7
129.10258	2.9
135.11697	11.6
137.13292	3.5
145.04944	5.6
149.13271	5.9
159.02811	2.5
177.16394	100.0
195.17474	19.9
213.18515	17.2
216.84694	2.4
231.05029	4.2
315.08609	4.4
316.09097	9.3
317.06570	2.9
419.62271	2.2
479.18857	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	478.2928
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03928	0.9
54.58746	0.2
55.01864	0.4
55.05509	12.2
56.05828	0.3
57.03438	7.3
57.07077	1.6
59.04996	0.3
62.06063	0.5
65.03925	0.9
66.71954	0.3
67.05501	25.5
67.30076	0.3
69.07065	14.1
71.04979	0.7
71.08616	0.7
71.12605	0.4
79.05488	7.3
81.07053	26.3
83.04963	1.0
83.08136	0.4
83.08614	6.7
83.09102	0.3
85.06522	0.8
88.07609	0.4
91.05475	5.0
93.06461	0.5
93.07040	7.6
95.04939	0.7
95.08601	19.0
97.06516	1.9
97.10172	3.8
98.06050	0.9
98.98467	0.5
99.08062	0.5
105.07017	3.3
107.08592	3.6
109.06499	0.3
109.10148	7.4
111.08064	0.7
111.11712	0.6
111.77386	0.2
113.06001	0.3
119.08569	3.0
121.10146	2.8
123.08082	0.4
123.11697	2.3
124.01585	0.3
125.09613	0.5
133.10109	2.8
135.11702	1.6
137.09583	0.4
137.13252	0.7
147.11649	1.8
149.13222	0.4
151.11159	0.4
153.12683	0.3
161.13269	1.0
163.14816	0.9
165.12825	0.4
168.13872	0.3
175.14815	0.6
189.16438	0.2
198.05295	0.3
200.20093	0.6
216.06297	0.6
219.17419	1.0
231.51320	0.3
245.22661	0.5
263.23663	1.1
306.27884	5.5
337.27347	100.0
338.27676	2.6
478.38770	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31007	6.0
53.03934	8.4
55.01862	12.1
55.05508	45.8
56.05819	8.0
56.96553	19.1
57.03432	11.3
57.07061	10.1
62.20313	5.9
67.05503	49.0
69.03421	20.7
69.07059	29.8
70.06578	30.9
71.04992	12.8
71.59757	10.2
73.33297	5.8
79.05483	41.7
81.03410	25.0
81.07056	72.3
82.07363	8.0
83.04969	18.3
83.08606	19.9
84.08120	11.2
85.02908	30.5
85.06540	13.5
86.09703	10.6
87.00839	12.9
91.05453	36.6
93.07054	57.7
95.04946	15.0
95.08609	45.9
97.02881	17.8
97.06513	26.2
97.10170	21.4
98.97591	18.4
99.08069	7.9
100.11258	16.9
105.01853	10.3
105.07025	22.6
106.07293	6.1
107.04929	18.7
107.08606	44.7
109.02872	23.9
109.06522	12.2
109.10122	22.7
111.04431	17.1
111.77495	6.3
116.98603	18.0
117.06985	10.1
119.08545	18.8
121.06487	14.4
121.10143	54.5
123.08094	11.4
125.09615	18.7
127.03933	30.6
129.06950	6.8
131.08534	11.6
133.10123	12.0
134.10495	7.3
134.99670	8.4
135.08099	7.5
135.11682	28.7
137.05949	9.7
137.13274	18.2
145.04921	7.6
145.06499	7.0
145.10100	17.9
146.99687	10.0
147.02826	6.2
147.06827	10.1
147.11667	9.1
149.13225	12.2
161.05957	7.1
163.03896	12.8
163.11130	7.8
168.17569	7.0
177.00696	10.2
177.16396	52.7
181.12190	44.0
195.13794	12.9
195.17433	12.9
211.80679	6.4
219.77986	6.7
232.17030	15.5
237.02797	13.6
259.09732	11.5
289.05264	16.5
293.14365	7.1
368.23148	19.8
370.23508	6.8
372.21664	6.3
386.24023	26.6
416.24255	100.0
437.18396	23.2
455.19385	27.9
460.27234	41.0
478.28513	42.3
478.40009	58.1
479.19788	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22506	3.0
59.13513	2.6
66.87916	2.1
67.05481	3.1
69.07050	3.2
69.64906	12.2
69.65323	6.5
81.07060	4.9
83.08575	2.7
91.05493	5.1
93.07059	2.7
93.25130	2.6
95.08572	3.9
95.71714	2.8
98.20782	4.9
103.49222	2.7
164.68570	2.7
445.29321	16.8
477.31870	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01819	0.2
55.05511	3.3
56.96565	0.4
60.04504	0.1
60.47441	0.1
61.02932	2.0
63.61098	0.1
67.05499	0.2
69.03403	0.6
69.07053	0.4
69.63478	0.9
69.63892	0.3
70.06602	1.2
72.08129	0.5
73.02927	0.9
79.05476	0.3
81.03394	0.4
81.07034	0.6
83.08583	0.5
84.04491	0.3
84.08102	0.5
85.02910	2.3
86.09711	0.9
91.03500	0.1
91.03963	1.3
91.05463	0.2
93.06999	0.3
95.08609	0.3
97.02882	1.3
97.06504	0.3
99.04374	0.2
100.11253	0.4
105.07034	0.3
107.22672	0.1
109.02866	0.3
109.06541	0.3
109.07650	0.2
110.07226	0.2
115.03874	0.2
117.07016	0.2
118.35128	0.2
119.08558	0.3
120.08092	0.4
124.03948	0.4
127.03943	0.9
129.10226	0.2
131.08476	0.2
131.51904	0.1
136.07547	0.3
137.05977	0.2
142.07045	0.3
151.07512	0.2
163.03914	0.4
164.58720	0.2
168.58287	0.2
174.10367	0.7
177.05492	0.4
177.58888	0.2
178.09564	0.2
183.04440	0.4
183.10942	1.1
184.02798	0.7
184.11841	0.2
187.09923	0.7
188.11975	0.2
189.21553	0.2
192.11475	0.2
193.04965	0.5
193.09895	0.2
193.12309	0.3
194.61612	0.2
195.09972	0.3
195.13817	0.2
196.10480	0.6
197.12483	0.2
201.05467	0.3
201.12808	0.8
202.03899	0.6
205.62904	0.8
209.62199	0.2
210.13231	0.6
214.12405	0.3
214.63290	3.5
215.13399	0.7
215.63870	0.3
219.13283	1.9
219.63472	0.6
223.63791	3.6
224.13908	0.6
228.13849	11.4
228.63966	2.2
231.02786	0.2
232.64362	0.5
235.14638	0.3
237.14360	28.3
237.64532	5.1
239.64676	0.3
245.64374	0.3
246.14897	100.0
246.65045	19.7
247.11295	0.2
247.15117	0.6
248.65128	0.6
255.15456	0.2
257.65567	0.8
258.15823	0.3
259.09595	0.2
264.13824	0.8
265.12228	0.6
266.66235	1.1
267.01813	0.8
268.08234	0.3
282.14917	0.5
283.13400	0.7
297.49274	0.2
303.04941	0.6
309.11356	0.2
326.13895	0.2
355.17957	1.1
373.19278	0.6
377.02072	0.6
378.02518	0.2
395.02631	0.2
407.23203	0.5
425.24155	0.3
471.71075	0.2
473.27942	0.3
477.26294	0.2
477.33200	7.6
478.33426	17.3
479.08215	0.3
491.29044	3.1
492.29211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
54.89667	1.8
55.01867	5.3
55.05505	3.7
55.75846	2.0
56.05033	3.0
57.03437	3.1
58.06598	5.0
58.86869	1.8
60.04528	15.8
61.02942	4.8
67.05506	4.6
68.01778	1.7
69.03430	20.6
69.07061	4.1
70.06304	1.7
70.06600	18.9
71.04965	3.0
71.59203	3.5
72.08161	3.6
73.02910	3.1
74.06097	2.1
79.05498	8.0
81.03410	22.0
81.07059	22.5
82.06593	2.1
83.01328	2.0
83.04996	2.6
84.04498	2.6
84.08145	39.5
85.02908	34.2
86.09708	7.0
87.00822	9.9
91.05453	6.8
93.07036	20.9
95.08609	7.4
97.02897	13.7
97.06538	1.9
98.09730	1.9
99.04448	8.3
100.07661	2.2
100.83547	2.3
102.09155	3.2
105.01895	4.9
105.07030	7.3
107.08573	10.0
109.02897	17.6
109.10200	3.9
110.09678	5.2
111.04472	2.0
111.08099	2.8
119.08571	3.0
120.08102	2.2
121.10152	7.4
123.11688	5.6
125.09612	2.8
127.03920	27.7
129.01799	3.6
129.10161	1.9
132.08034	2.1
133.10143	5.3
135.11752	2.0
136.11148	2.4
137.05969	4.3
138.12767	8.0
139.11176	3.2
140.24957	1.7
145.04904	4.3
151.11186	4.4
153.01849	12.5
153.05618	2.5
156.13828	2.8
159.02910	5.5
159.11697	3.1
164.14354	3.1
165.05539	2.0
168.13858	4.3
169.12288	3.8
172.11459	1.9
176.14346	2.1
177.05357	2.3
186.14899	4.3
194.15463	9.2
205.74348	1.9
212.16475	28.8
229.04872	4.2
230.17577	5.3
231.05028	3.0
274.04623	4.3
285.03928	3.6
302.04224	18.0
303.04871	3.0
317.06580	100.0
335.24231	1.8
350.14539	2.2
411.58829	1.9
416.22797	7.7
442.20816	4.1
460.21820	28.0
478.22873	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.8
55.01865	7.2
55.05510	33.8
56.96556	4.1
57.03439	7.2
57.07058	5.2
59.04989	4.2
67.05505	28.6
69.03425	24.8
69.07069	16.1
70.06595	6.6
71.04994	6.6
72.08156	3.5
73.02914	4.6
79.05495	23.2
81.03418	18.3
81.07060	36.1
82.66838	2.7
83.04976	25.2
83.08608	18.1
85.02909	25.0
85.06532	15.4
86.09706	4.5
87.00809	9.2
91.05480	15.3
93.07047	29.4
95.04975	10.0
95.08601	28.7
97.02883	8.7
97.06547	7.8
97.10145	16.1
98.21468	11.2
99.04463	6.8
99.08089	8.1
101.06039	5.4
105.01878	7.3
105.07033	14.5
107.04939	10.4
107.08587	29.5
109.02879	10.4
109.06494	8.6
109.10157	44.0
109.86450	3.3
111.04465	3.2
111.08078	10.5
117.01904	3.4
117.07009	5.4
119.08581	12.6
121.06506	6.7
121.10143	16.3
123.08042	8.3
123.11707	23.2
125.09648	18.9
125.91798	2.6
127.03912	17.4
127.11178	11.9
129.07040	4.0
131.08585	3.4
133.06508	5.2
133.10120	13.1
135.08122	3.0
135.11662	17.8
137.05972	6.4
137.09612	5.5
143.08556	5.8
145.06456	5.3
145.10078	3.7
147.08031	3.2
147.11700	9.0
149.09627	4.9
149.13258	7.3
151.07556	7.0
151.11214	7.8
153.12729	8.3
159.02863	3.5
159.11720	6.6
161.50047	3.0
163.03951	4.1
163.11205	2.9
165.09085	7.9
167.07045	3.8
167.14299	13.5
169.12227	26.9
171.11656	4.2
175.14812	5.2
177.16351	8.1
183.13805	3.5
185.15334	10.1
189.11227	5.2
193.12062	3.2
193.15868	13.5
209.15363	5.7
211.16946	72.8
229.15707	6.0
229.17978	100.0
230.18314	3.3
253.17862	3.9
273.14999	5.0
275.16623	3.2
295.54904	4.0
315.08627	21.1
339.23114	3.4
349.21451	7.0
367.22681	12.4
385.23734	19.1
403.24927	4.9
428.48932	3.3
441.26028	5.4
443.46985	3.6
459.27277	13.0
477.29941	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	476.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
53.13568	0.9
55.05513	8.1
57.03430	2.9
62.06091	39.8
65.03931	1.2
67.05505	28.7
69.07065	9.9
69.90923	1.9
69.91337	4.1
71.05016	0.9
71.23985	0.9
73.29293	0.8
73.56866	0.8
76.28086	0.8
79.05048	1.8
79.05493	21.9
80.04697	0.8
80.10378	0.9
81.07060	24.6
83.05033	0.9
83.08614	4.3
86.10699	0.9
91.05489	10.2
91.52121	1.0
93.07038	23.0
94.38783	0.8
95.04971	2.2
95.08608	22.7
97.06552	1.2
97.10207	1.0
98.06069	2.0
98.20831	1.7
98.98471	9.2
105.07037	6.6
107.08598	8.9
109.10151	8.6
111.08046	1.0
117.07001	2.2
119.08595	6.5
121.10155	8.7
123.11692	1.4
124.01596	1.6
131.08565	3.2
133.10117	6.9
135.11702	4.8
135.25430	1.0
142.02655	1.5
145.10146	2.4
147.11665	3.0
149.13266	1.8
155.01051	3.5
159.11697	2.4
161.13261	1.9
163.14827	1.3
165.12794	0.9
173.02144	2.1
173.13234	1.4
178.94493	1.1
187.14792	1.0
198.05214	3.0
216.06316	3.5
243.21034	2.6
261.22177	8.1
304.26346	10.3
317.24976	2.1
335.25803	100.0
336.26215	1.6
415.22287	2.4
458.26642	4.0
476.27795	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1387
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
51.10714	0.2
53.03936	0.7
55.01849	0.4
57.03417	1.0
61.02915	1.4
67.05493	0.5
69.03426	3.8
70.06573	0.7
71.15367	0.3
71.32934	0.6
73.02903	0.7
79.05492	0.4
81.03408	2.3
81.07040	0.8
83.01331	0.6
83.04947	0.4
84.08127	0.3
85.02895	8.2
86.09691	0.5
87.04436	0.6
91.03934	0.4
91.05461	0.5
93.07040	0.7
95.04971	0.4
95.08582	0.6
97.02875	3.5
97.06490	0.3
99.04417	0.8
105.03389	0.3
105.06985	0.5
107.04939	0.4
107.08595	0.5
109.02866	1.2
109.10172	0.3
111.04358	0.3
119.08580	0.3
120.08119	0.4
123.11670	0.4
125.02324	0.5
127.03894	2.4
130.20557	0.3
133.10120	0.5
134.03625	1.5
135.04358	0.4
135.08057	0.4
137.02373	0.4
137.05910	0.5
138.03084	1.6
145.04927	1.3
146.06065	0.3
147.04321	0.3
147.11598	0.3
149.05957	0.3
153.01817	3.1
161.05856	0.3
163.03954	1.4
166.02615	2.3
167.03386	8.1
175.03947	0.5
175.14799	0.8
176.15147	0.6
177.05330	0.3
184.03654	3.3
193.04933	0.5
199.03847	0.5
199.07498	0.5
217.04938	0.5
227.06978	2.3
229.14188	0.6
243.06577	1.3
243.11421	0.4
244.07219	0.6
255.06522	7.3
255.11102	0.6
257.13470	0.4
259.09570	2.1
269.08167	0.4
271.06009	1.1
272.06729	1.7
275.53516	0.3
282.05176	0.7
283.05981	5.2
285.12363	0.4
287.09259	0.5
298.68506	0.3
299.05496	6.0
300.02713	0.4
300.06238	13.6
315.08588	100.0
316.08984	0.8
391.19418	0.5
433.20410	1.4
477.19165	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59711	0.9
55.05500	2.6
57.83126	0.8
59.04524	0.8
61.02906	0.8
62.63512	0.8
67.05502	3.1
69.03412	1.4
69.07066	2.5
71.04987	2.6
71.60106	1.4
72.46756	0.9
79.05492	2.8
81.03445	2.1
81.07047	8.1
81.97629	0.8
83.04964	0.9
83.08616	1.3
83.46388	0.8
84.04493	1.1
85.02895	3.7
86.09705	1.7
91.05471	4.4
92.77309	0.8
93.07049	7.2
95.04979	1.6
95.08601	8.9
96.86484	1.0
97.02916	1.2
97.06517	1.3
98.97582	1.3
99.04440	1.1
99.08079	1.3
105.07017	7.0
105.59961	0.9
107.08595	11.0
109.02837	1.2
109.06492	1.1
109.10166	3.5
116.98610	1.3
117.07057	1.0
119.08579	20.8
119.09352	1.7
121.10136	1.8
123.11695	2.1
127.03902	1.5
131.08566	1.3
133.10126	100.0
134.10463	2.2
135.11694	18.1
137.06013	1.4
145.04927	1.0
145.10046	1.2
147.11703	3.3
159.93900	0.8
173.13280	1.1
175.14816	59.6
176.15269	1.4
193.15863	37.3
197.18550	0.9
237.02808	1.1
315.08673	1.3
391.16223	1.2
399.12253	1.1
400.71616	0.9
409.11755	1.2
476.32278	2.6
477.17133	3.1
485.32056	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75667	0.3
52.22947	0.3
53.00757	0.4
53.03934	1.2
55.01872	0.3
55.05511	6.5
57.03435	7.6
57.07065	0.7
61.84727	0.3
62.06063	0.5
63.20923	0.3
65.02468	0.3
65.03925	1.1
67.05501	29.8
68.05810	0.3
69.06725	0.4
69.07069	7.2
69.53428	2.0
69.53842	0.8
71.04984	1.0
79.05489	15.9
81.07052	24.0
83.04974	0.5
83.08620	2.8
85.06529	0.8
91.05476	7.6
93.07038	17.1
95.04973	2.0
95.08603	19.4
97.06511	1.3
97.10155	0.5
98.06050	1.4
98.98480	0.7
99.08055	0.3
105.07026	3.9
107.08591	6.8
109.06520	0.7
109.09447	0.6
109.10144	7.2
111.08047	0.5
117.07001	1.3
119.08565	3.7
121.10144	6.0
123.08044	0.4
123.11710	1.8
124.01612	0.4
131.08568	2.3
133.10091	1.7
135.11681	3.0
137.13266	0.7
145.10062	1.0
147.11664	1.5
149.13274	1.2
159.11674	0.8
161.13179	0.6
173.13185	0.6
175.14850	0.5
216.06334	0.7
243.21187	0.3
261.22128	0.9
304.26306	6.0
335.25778	100.0
336.26099	1.9
476.29370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.4
55.01880	1.2
55.05516	5.6
57.03425	1.0
57.07076	1.1
61.02914	1.4
67.05499	4.9
69.03436	6.3
69.07069	11.0
69.23214	0.9
71.04982	1.8
71.42399	1.7
73.02892	1.4
79.05502	7.4
80.63663	1.1
81.03419	6.6
81.07058	12.9
83.04966	1.0
83.08605	6.3
85.02905	13.5
86.06005	1.1
86.09668	1.0
87.00811	4.3
91.03940	1.0
91.05483	6.6
93.07043	14.4
95.04970	2.3
95.08604	22.7
97.02883	9.3
97.06535	1.2
97.10130	1.8
99.04443	3.2
99.08071	1.3
105.01855	4.1
105.07032	11.2
107.04974	1.2
107.08591	19.6
109.02869	5.0
109.10144	8.5
119.08576	9.9
121.06549	1.1
121.10139	24.9
123.11692	1.1
127.03934	9.1
133.10126	6.0
135.11725	10.1
137.09554	1.1
145.04970	4.9
145.10205	1.2
147.11681	3.2
149.13232	4.1
159.02890	2.8
175.14824	33.6
177.16379	100.0
178.16714	1.7
178.55568	1.0
193.15900	5.1
228.10065	1.6
231.04912	1.3
242.25443	1.0
274.89597	1.1
283.16824	1.0
373.86777	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
53.94650	0.6
55.05511	2.0
57.03411	0.9
67.05488	0.9
69.03425	2.7
69.07062	5.0
70.06575	1.8
70.88519	2.0
71.04985	1.0
73.02902	0.9
79.05492	1.3
81.03403	3.6
81.07050	2.4
83.08623	1.1
85.02900	9.8
87.00824	4.3
91.05476	3.8
93.07025	1.9
95.08598	4.3
97.02903	4.1
99.04426	1.5
102.31075	0.7
105.01832	3.6
105.07020	7.1
105.43321	0.7
107.08566	4.1
109.02867	3.7
109.10136	2.9
115.03844	0.7
117.06985	0.8
119.08572	27.9
120.08937	0.7
121.10130	3.0
122.78221	0.6
127.03889	6.9
127.60542	0.6
133.10123	26.0
135.11713	1.4
137.09665	0.7
143.08595	0.7
145.04941	2.2
145.10118	1.4
147.11653	4.7
159.02902	2.1
160.12579	0.8
173.13245	1.4
175.14815	100.0
176.15143	1.0
177.16428	1.2
193.15892	5.0
210.15634	0.8
231.04865	1.7
255.51006	0.9
476.32831	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	476.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38971	0.4
53.03945	1.6
54.46242	0.5
55.01871	1.6
55.05499	2.7
57.03448	1.3
58.39146	0.5
61.02914	1.1
62.63693	0.4
67.05506	2.2
69.03430	4.9
69.07072	3.1
69.58029	1.0
69.58434	3.5
70.06589	1.3
70.56712	0.5
71.05003	2.1
72.08165	0.8
73.02936	1.1
73.86274	0.5
79.05508	2.6
81.03419	5.6
81.07060	8.6
82.06602	0.5
83.04993	0.6
83.08642	0.7
84.08150	1.2
85.02905	15.7
86.09689	1.1
87.00829	7.4
91.03936	0.5
91.05483	4.4
93.07045	7.3
95.04939	1.4
95.08604	12.4
97.02892	5.9
99.04443	2.3
99.08096	5.4
100.11271	1.2
103.05471	0.8
105.01872	7.1
105.07032	8.7
107.08599	9.7
109.02885	4.8
109.06534	1.1
109.10142	2.6
110.07146	0.7
113.09631	1.3
117.07023	1.5
119.08584	52.5
120.08904	1.4
121.10126	1.7
123.08113	0.8
123.11711	5.3
127.03914	10.8
129.01845	0.8
131.08575	1.3
133.10132	100.0
134.10490	1.6
135.11699	18.8
136.12009	0.7
137.09616	1.5
145.04968	4.3
145.10130	0.9
147.11714	2.6
159.02904	2.6
160.12447	0.8
167.07002	0.6
173.13228	0.5
175.14827	99.1
175.39883	0.5
176.15143	1.8
193.15883	24.3
193.17656	1.3
198.11366	0.7
210.14803	0.9
211.16925	20.8
231.05035	2.0
315.08701	1.2
400.42487	0.5
475.82544	2.2
476.18820	0.7
476.32315	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	3.0
53.03927	12.2
55.01876	14.7
55.05511	23.0
56.96553	3.0
60.04520	3.8
61.02905	2.8
65.03915	5.4
67.05508	36.3
69.03427	21.2
69.07050	6.0
69.85690	5.8
69.86084	9.0
70.06594	16.4
71.04989	52.6
72.08144	10.6
73.02901	8.9
74.06075	2.7
79.05482	18.2
81.03395	15.4
81.07043	12.1
83.04980	5.9
84.04519	4.6
84.08131	8.7
85.02905	30.1
86.09705	17.3
87.00818	10.3
87.04470	10.4
89.06026	70.1
91.05476	72.1
93.07042	100.0
93.07624	4.9
95.04961	28.7
97.02866	15.7
97.06531	24.5
103.05453	3.0
105.01844	6.9
105.04496	3.5
105.07020	37.0
107.04940	8.3
107.08611	13.6
109.02866	12.0
109.06520	5.1
111.08084	14.9
115.05424	3.1
117.06987	12.9
119.04932	4.0
119.08563	15.5
120.08119	6.2
121.06505	18.9
122.07323	4.5
123.04434	3.4
127.03909	19.8
128.06201	3.9
129.07021	16.7
129.10234	6.7
129.34367	2.8
131.04915	3.4
131.08556	35.7
133.06477	12.9
133.08607	33.1
133.10104	15.1
135.08043	7.7
136.07561	3.8
142.07751	13.5
145.04941	5.8
145.06424	2.9
145.10104	6.6
147.08014	9.9
147.11671	6.1
149.09593	3.5
157.10121	15.8
159.02896	6.5
159.11670	5.6
161.01082	3.1
175.11174	96.9
177.11223	14.8
177.12743	58.2
193.12239	54.3
200.95607	2.7
233.38889	2.8
256.09631	3.4
284.09167	2.7
441.17868	3.3
459.27829	6.4
477.18869	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	475.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21722	1.0
53.03933	2.1
55.01871	3.4
55.05510	8.5
55.74881	1.0
57.03434	18.5
57.06788	1.5
57.07074	49.2
61.02924	58.4
67.05502	15.2
69.03076	1.6
69.03429	23.5
69.07066	10.9
69.78033	2.8
69.78448	6.1
71.01348	5.4
71.04978	4.7
71.08630	33.4
73.02916	22.6
75.04467	2.8
78.80654	1.1
79.05495	2.0
81.03416	17.7
81.07058	21.7
83.01327	1.9
83.04971	2.4
83.08622	15.0
85.02901	58.0
85.06568	1.1
85.10181	19.9
87.04458	2.9
89.06007	1.7
91.03950	37.3
93.07028	3.2
95.08603	31.2
97.02887	47.9
97.10174	6.7
99.02615	1.2
99.04442	9.0
99.11729	1.4
101.02375	11.3
103.03947	6.3
103.07582	1.4
109.02866	10.0
109.10152	13.7
111.04419	1.3
111.11703	2.0
115.03901	5.9
117.05494	3.5
123.11703	6.7
127.03904	21.6
129.05460	3.3
137.13252	3.4
145.04930	9.4
147.06532	1.2
151.14813	1.4
157.92880	1.1
159.06523	2.0
169.84679	1.2
183.06572	4.3
201.07643	4.0
221.22675	3.4
239.23671	26.1
257.24811	4.6
272.39279	1.2
284.21051	1.3
313.27356	100.0
314.27533	1.4
333.52158	1.2
341.26920	3.5
383.27942	1.3
457.31772	4.3
475.32678	19.5
481.69043	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.3
55.01867	5.6
57.03431	7.2
58.63550	3.9
61.02924	4.6
63.29936	3.8
67.05497	8.1
69.03427	33.5
69.07058	11.5
70.06580	14.1
71.04987	8.5
71.16824	10.5
72.08149	6.1
79.05479	8.3
81.03417	24.8
81.07047	17.3
82.06585	4.0
83.04984	5.3
84.04486	5.4
84.08107	10.8
85.02900	52.3
85.06567	7.5
86.09698	17.6
87.00825	25.1
91.05489	9.6
93.07035	11.3
94.74142	4.9
95.04978	26.6
95.08595	15.5
97.02874	18.8
97.06517	36.6
99.04446	15.1
99.08064	6.3
105.01849	22.3
105.07021	24.7
107.08610	27.3
107.29400	3.8
109.02863	14.6
109.06515	63.2
109.10159	13.2
111.08081	5.2
113.06036	4.3
115.07497	8.4
119.08582	20.4
121.06429	5.3
121.10112	26.2
123.08053	14.2
123.11661	6.3
125.05989	5.8
127.03922	30.4
130.04961	4.3
131.08554	16.7
133.10136	68.4
135.08060	10.8
135.11665	5.3
137.09595	5.6
139.11137	3.9
145.04973	10.5
145.10095	5.5
147.11685	37.7
149.09615	7.3
149.13330	9.7
151.11220	10.3
153.09109	25.8
158.10843	7.1
163.03932	4.5
163.11128	5.1
163.14844	12.8
165.12781	7.2
168.31602	3.8
171.10161	8.3
173.13217	32.4
191.14308	56.1
209.15355	100.0
227.16418	48.2
251.17062	5.0
303.04880	4.7
377.01459	5.7
456.95810	4.5
475.16589	19.3
475.24527	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	475.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.0
55.01859	5.0
55.05499	6.3
56.05041	3.4
57.03430	4.6
57.07064	2.3
61.02916	4.0
67.05494	7.9
68.99790	4.1
69.03422	21.9
69.07063	6.5
70.06583	14.0
71.04987	31.0
71.59007	1.9
71.59412	2.8
72.08141	7.3
72.98705	2.0
73.02904	2.9
79.05471	5.0
81.03414	21.3
81.07059	11.0
83.04980	4.8
83.08602	3.3
84.04516	2.9
84.08131	7.9
85.02899	39.3
85.06550	9.5
86.09692	7.4
87.00816	16.0
87.04421	2.4
91.05472	8.2
93.07024	10.4
95.04960	12.0
95.08592	11.7
97.02885	12.7
97.06532	8.8
99.04449	100.0
99.08083	2.8
102.05511	2.4
105.01862	11.1
105.07021	13.6
107.08588	20.0
109.02852	10.7
109.06509	17.1
109.10143	9.9
110.06050	1.8
113.09664	4.8
119.08585	8.0
120.08140	4.2
121.06479	2.0
121.10128	18.5
123.08064	23.3
123.10949	2.2
123.11707	13.6
125.06036	2.6
125.09657	4.9
127.03909	25.3
131.08549	8.5
133.10127	23.6
135.08035	7.7
135.11667	3.3
137.05933	2.3
139.11200	2.8
141.06744	2.0
145.04964	8.6
145.05994	2.0
145.10095	4.1
146.04453	2.3
147.04353	3.0
147.11676	11.0
149.09627	18.9
149.13271	7.5
151.11183	6.8
153.09068	7.3
159.02872	8.5
163.03778	2.7
163.14847	3.7
165.12714	5.8
167.10670	3.9
169.08638	5.7
169.12178	20.0
173.13287	10.2
183.13780	27.9
191.14305	19.3
195.51256	2.0
209.04628	2.5
209.15340	37.3
221.84865	2.0
227.12968	3.5
227.16412	88.7
229.15425	2.5
312.05911	2.5
331.18509	3.8
343.12039	2.1
375.21024	2.1
410.07712	2.5
475.16171	2.6
475.22131	4.7
475.32449	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	474.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.0
55.38322	0.9
59.47301	0.9
63.92878	1.1
64.39890	1.0
64.54887	1.0
67.05494	2.2
67.26337	0.9
68.40395	0.9
69.03445	2.6
69.07063	5.5
69.92342	1.0
70.66080	3.3
71.04987	14.6
79.05496	3.0
81.03384	1.2
81.07048	5.6
83.05018	1.7
83.08613	2.6
85.02902	4.3
85.06538	8.9
87.00809	1.5
91.05474	6.1
93.07035	10.0
95.04981	2.0
95.08604	11.6
96.19353	1.0
97.02893	1.6
97.06527	17.5
97.07130	1.3
105.01868	4.9
105.07027	10.2
107.08584	19.2
109.06523	5.6
109.10153	2.5
111.08083	5.7
117.07011	1.1
119.08575	6.9
121.06495	1.6
121.10137	32.5
123.08084	3.6
125.79183	1.1
127.03902	2.8
131.08557	7.2
133.10123	100.0
135.08047	16.7
135.11717	1.5
145.10124	4.7
147.11690	19.9
149.09636	2.6
149.13254	17.1
149.14375	1.5
151.11134	1.1
156.98503	1.0
158.10867	3.6
163.11122	1.3
163.14780	1.2
169.92758	1.2
173.13258	25.0
173.14693	2.1
191.14294	99.4
209.15355	2.5
231.04916	1.7
303.32755	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41510	0.3
67.05499	0.8
71.59912	0.5
71.68448	0.3
81.03401	0.7
81.07064	0.9
84.64457	0.4
88.32244	0.4
89.87296	0.3
91.05477	0.5
93.07045	0.3
95.08599	0.5
121.17268	0.4
121.49947	0.4
127.43593	0.3
131.08569	0.5
216.53450	0.4
226.44051	0.3
372.04932	0.4
399.18195	1.0
473.34503	100.0
474.34546	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	474.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01867	2.1
55.05483	1.4
56.96553	0.8
57.03431	1.7
57.07064	1.4
65.03948	1.0
67.05500	4.3
68.99792	0.9
69.03426	4.5
69.07053	2.6
70.06572	2.3
71.04984	2.0
71.11263	1.6
71.11603	0.8
77.29159	0.7
79.05493	2.7
80.05000	1.0
81.03427	5.5
81.07059	4.2
83.08607	0.8
85.02905	11.7
85.06524	4.1
86.09715	1.5
87.00832	3.9
88.04011	0.6
91.05471	7.7
93.07048	4.4
94.07400	0.8
95.04964	3.3
95.08592	4.7
96.08952	0.7
97.02887	4.2
97.06522	3.8
99.04412	2.0
102.87999	0.8
103.05426	1.1
105.01855	2.5
105.07029	16.6
107.04977	0.8
107.08595	6.7
108.08899	0.7
109.02881	3.6
109.06514	33.7
109.10155	9.4
111.08064	1.4
117.01801	1.1
117.07014	1.5
119.08582	5.8
121.10110	3.4
123.08051	4.7
124.07576	1.2
127.03916	6.7
129.06972	0.8
131.07585	1.4
131.08569	22.0
133.10126	88.8
135.08058	14.9
135.11670	1.5
136.07649	0.7
137.09612	0.9
143.08534	2.2
144.09340	0.9
145.04955	2.4
145.10114	6.8
147.11656	4.1
149.09590	2.8
149.13223	2.4
153.09052	1.5
158.10924	4.7
159.02859	2.3
163.03903	0.9
165.09126	2.4
169.42943	0.7
173.13257	46.9
175.14803	1.4
177.05359	0.9
178.12181	1.0
191.14302	100.0
192.14635	1.1
207.13820	1.0
209.15349	23.9
231.05006	1.4
237.06786	1.1
306.14853	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.7
55.01852	7.1
55.05512	35.9
56.96558	3.3
57.03441	32.2
57.07061	11.7
61.02923	69.9
67.05503	51.4
69.03424	30.7
69.06720	3.5
69.07063	47.8
69.99915	13.1
70.92950	2.3
71.01334	5.5
71.04981	5.5
71.08624	8.3
73.02921	32.3
75.04472	2.6
79.05491	23.1
81.03408	20.6
81.07056	50.0
83.08616	30.5
85.02421	4.5
85.02904	67.0
85.06509	3.4
87.04461	3.4
91.03958	45.1
91.05484	9.3
93.07040	25.4
95.08608	35.0
97.02888	55.4
97.06552	6.1
97.10171	22.3
98.98461	17.3
99.04450	7.4
99.08117	3.5
100.53523	2.3
101.02360	11.5
103.03947	8.2
105.07019	4.2
107.08599	15.4
109.02909	11.9
109.06566	3.0
109.10170	17.9
111.04404	2.8
111.08076	4.1
111.11689	5.9
115.03936	6.3
117.05482	3.2
119.08562	3.4
119.29228	2.6
121.10139	28.4
123.11698	11.4
125.09543	2.9
127.03903	23.2
129.05458	9.0
135.11667	21.0
136.99977	8.2
137.13231	7.4
137.41145	2.6
145.04941	12.1
149.13252	9.5
153.12726	2.4
155.01053	18.0
159.06546	3.9
163.14777	4.9
183.06572	5.2
201.07547	3.7
211.03746	5.2
219.21152	14.1
234.58904	2.6
237.22098	29.7
243.08777	4.9
261.10010	3.5
268.45020	2.7
277.00858	2.9
285.10126	4.8
303.10995	2.8
311.25787	100.0
337.27249	7.1
339.25250	3.8
353.26501	2.6
410.54013	3.3
423.17358	3.1
455.30029	4.7
473.31155	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	473.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66043	64.6
70.06576	25.0
72.04524	12.9
74.02435	10.4
81.03442	9.1
82.02923	8.6
83.04971	24.6
84.04498	84.2
84.08125	27.9
94.99313	10.4
99.05547	11.5
104.42624	8.8
130.04991	100.0
137.43674	7.8
145.72409	10.1
146.04506	14.1
147.07668	67.5
163.07129	12.1
254.52260	8.8
473.12192	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	473.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61729	1.6
52.98705	1.8
53.03946	10.7
55.01871	11.4
55.05502	7.7
56.05025	2.3
57.03429	9.7
60.52074	2.1
61.02920	7.4
67.05499	11.9
68.99786	3.8
69.03436	45.7
69.07068	9.7
70.06600	13.1
70.28046	1.8
71.04988	14.8
71.43726	2.8
71.44077	2.3
72.08158	51.3
73.02919	9.8
74.02423	2.0
74.06049	1.8
79.05489	10.9
81.03420	53.4
81.07050	10.8
82.06571	4.4
83.01376	2.2
83.04990	4.0
84.04518	11.5
84.08142	5.4
85.02905	75.6
85.06535	4.7
86.09707	100.0
87.00825	29.0
91.03960	2.9
91.05476	13.2
93.07041	20.1
95.04956	9.5
95.08599	11.1
96.04529	2.0
97.02892	27.1
97.06551	4.0
99.04457	31.5
99.05547	3.0
100.03988	1.9
102.05541	11.4
103.05485	2.1
105.01849	21.8
105.07024	21.9
107.04957	5.3
107.08590	15.8
107.84192	1.8
109.02124	2.5
109.02882	52.2
109.06521	5.5
109.10180	10.7
110.07209	1.9
117.01775	4.1
119.08587	32.9
121.06503	3.0
121.10139	44.5
123.08041	5.7
127.03925	69.3
127.07521	3.1
129.01833	6.6
129.06992	2.0
129.10262	2.0
130.04956	4.2
131.08580	6.3
132.10207	6.5
132.95854	2.5
133.10155	5.3
135.11697	4.7
137.08655	3.1
137.09624	36.1
145.04973	25.6
145.10133	5.8
146.04491	7.3
147.02872	2.8
147.04541	2.4
147.07996	8.5
147.11723	13.7
149.09612	15.9
150.96902	3.7
151.07567	3.7
155.10689	5.8
159.02884	31.9
159.11696	4.6
161.13248	28.9
163.07230	9.6
165.09024	2.6
165.12732	10.5
171.11705	2.4
174.96910	6.0
177.12775	7.3
179.14314	17.3
183.11293	4.2
185.16505	3.8
189.12743	25.8
195.13831	3.7
201.12296	5.3
207.13811	79.6
208.03622	4.5
208.14258	1.9
210.04190	3.4
211.13293	3.6
213.03938	3.2
213.15997	4.4
215.13881	17.6
223.06018	6.5
224.06380	3.5
225.06497	5.9
225.14871	24.6
229.11856	4.9
231.05020	13.7
231.17012	17.7
243.13425	42.4
250.14468	3.9
260.08783	2.1
261.14456	2.0
331.18451	5.0
342.20132	8.1
377.01743	3.0
378.47324	2.1
412.01062	2.4
455.12952	3.5
473.14102	28.4
473.20255	20.5
474.13950	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	473.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88754	3.3
52.42533	3.4
53.03940	5.5
54.11150	2.8
55.01860	3.9
55.05511	8.4
56.05021	7.3
57.03435	3.7
57.07069	4.2
64.35212	3.1
67.05503	25.3
68.53553	3.3
69.03428	22.8
69.07049	6.1
70.06596	39.9
72.08132	14.7
79.05463	10.1
81.03420	24.2
81.07059	9.9
82.06565	26.8
83.04982	6.4
83.06084	5.2
84.04501	51.8
84.08149	16.9
85.02898	30.6
85.06535	11.0
86.09700	53.8
87.00822	7.0
87.43385	3.0
91.05472	13.7
92.98147	3.2
93.07050	13.1
95.04961	8.2
95.08601	100.0
97.02898	10.9
97.06526	5.9
98.06049	3.7
98.20745	5.7
99.04436	11.1
101.07129	5.6
102.05535	4.7
105.01861	16.6
105.07012	14.6
107.04951	5.7
107.08582	11.7
109.02864	11.9
109.06515	4.2
109.10166	5.9
110.07169	8.1
111.04449	3.9
112.66186	3.5
113.06014	11.8
116.98618	6.1
117.01863	3.8
119.08588	18.0
120.08156	5.8
121.02865	10.8
121.06540	4.3
121.10131	9.6
123.04418	3.9
123.08083	24.1
123.11713	7.2
127.03908	18.5
127.04988	7.1
129.06883	4.2
129.10243	10.1
130.05011	63.6
131.08569	8.0
133.10107	5.9
134.99629	3.2
135.11667	12.5
136.07571	6.0
137.09593	6.1
143.08514	4.0
143.11826	10.9
145.04939	4.3
145.10085	5.6
146.04517	4.1
147.07623	66.2
147.11671	9.3
149.09605	50.5
151.07582	8.2
155.05997	7.3
161.06068	3.5
161.13203	8.5
163.11203	12.4
165.12764	9.2
171.11299	4.0
179.14404	4.0
183.05560	11.4
183.11345	3.4
189.12701	16.9
192.70520	3.7
193.04955	27.0
193.12289	6.6
194.05278	9.2
195.05443	11.4
207.13808	63.5
208.03755	5.2
211.13365	7.5
223.06091	4.7
225.14871	11.5
237.02733	5.1
239.03264	4.6
250.14372	5.4
261.14557	4.3
269.06897	3.6
331.18622	4.3
375.20956	4.3
413.15189	4.0
417.89798	4.6
421.20621	3.6
473.13843	19.8
473.19064	12.0
473.23657	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	1.0
69.03421	4.0
69.62836	0.3
69.78134	2.1
70.06586	3.2
72.08125	1.3
73.02924	1.8
81.03394	0.6
82.06573	0.4
83.04974	0.4
83.06085	0.4
84.04494	1.0
84.08102	0.7
85.02895	3.2
86.09683	1.2
87.04457	2.2
88.03967	0.7
91.05461	0.6
95.04920	0.5
97.02885	2.5
99.05540	0.7
104.04991	0.7
110.07130	0.4
115.03976	2.1
115.04748	0.6
115.05446	4.7
116.04946	0.6
116.07073	0.6
117.05747	2.3
118.06539	6.3
120.08147	0.4
129.10239	0.7
130.06490	0.9
132.04446	19.2
132.08076	25.2
133.04939	2.1
140.04919	0.7
142.06509	8.6
144.08058	1.1
156.09497	0.3
157.67479	0.4
160.07567	100.0
161.07909	0.8
172.07512	0.5
174.09052	0.5
178.08618	30.1
196.18282	0.3
202.08575	2.1
220.09708	1.6
226.08293	0.5
292.11749	2.6
310.12833	1.3
340.13882	4.8
472.18103	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3469
Annotation	Hyperinol B
Peak:m/z	Relative Intensity
50.09386	5.0
55.05503	19.6
56.96556	13.1
57.07072	7.2
61.02927	8.0
61.51522	5.4
67.05499	50.9
69.07063	24.0
70.33517	24.9
71.04979	9.3
73.02912	8.6
74.78062	5.7
79.05489	34.7
81.07051	73.1
83.08627	5.8
85.02895	10.8
91.03938	10.2
91.05475	39.8
93.07039	64.1
95.04958	11.9
95.08604	100.0
95.09171	10.4
96.08900	6.4
96.97834	5.5
103.05445	6.9
105.07031	81.9
107.08590	69.8
109.06538	11.8
109.10139	66.2
111.08066	7.4
117.07011	16.5
119.08570	84.7
121.06559	8.0
121.10139	44.5
123.08108	7.8
123.11701	9.4
125.09642	6.4
129.07008	9.1
131.08562	45.4
133.10115	45.0
135.07996	12.0
135.11694	24.7
143.08560	16.9
145.10135	50.7
147.11670	47.7
149.13246	10.7
157.10071	20.0
159.11684	44.6
161.09601	14.4
161.13255	21.9
163.14859	7.3
167.07111	8.3
169.10094	7.5
171.11714	23.0
173.13246	25.9
175.14662	7.7
183.11734	9.5
185.13318	11.4
187.14818	15.5
189.16370	10.9
197.13255	6.3
199.14842	12.2
201.16405	24.1
203.18056	6.9
213.16293	10.3
215.17880	10.1
217.15784	8.7
219.13808	7.5
219.17563	6.3
221.15355	8.4
225.16325	6.0
227.18027	7.6
233.15355	9.5
310.61514	9.7
327.23007	10.1
425.33984	8.0
425.64243	6.9
435.32608	20.8
453.33633	36.1
471.28787	8.7
471.35278	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	471.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.2
60.95845	22.4
65.41451	1.1
67.04258	1.4
67.05485	2.1
69.03412	3.3
69.07052	3.3
70.06569	1.9
71.04994	1.3
71.59557	2.0
75.94538	1.8
76.95319	1.7
79.05473	2.5
81.03402	1.5
81.07035	4.6
82.06570	13.4
83.04957	1.0
83.08610	2.3
85.02891	4.0
85.06516	4.1
88.59415	1.0
91.05468	1.6
93.07036	3.8
95.08573	5.3
97.02874	1.4
97.06520	1.3
105.07021	2.8
105.84394	1.1
107.04942	2.5
107.08569	3.6
109.02804	1.3
109.06496	1.1
109.10110	2.4
119.08551	1.9
121.10153	2.5
123.08047	1.6
127.03886	2.9
132.08018	1.0
137.13315	1.2
141.00504	1.1
145.04990	1.3
145.10129	1.7
147.11671	1.5
149.13170	1.1
159.03078	2.3
167.06995	1.5
173.04614	1.1
201.07753	1.3
204.98537	1.4
205.19467	1.5
215.05560	1.4
227.09343	2.7
239.09396	2.5
239.78833	1.3
241.21696	1.3
245.10400	23.1
255.11295	1.1
257.07654	2.2
257.10379	42.6
263.11441	35.3
268.11981	3.6
271.11996	1.6
275.11423	100.0
276.11737	2.2
286.13092	1.7
293.12552	6.2
298.13113	10.7
383.14841	1.5
426.42703	1.3
471.26611	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	471.22
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
53.03942	0.5
53.48245	0.3
55.01868	0.4
55.05497	0.5
56.54770	0.2
57.16021	0.2
58.73188	0.2
61.02923	0.3
67.05489	0.9
69.03430	1.5
69.07059	0.9
70.06581	0.6
71.04960	0.3
73.02905	0.5
74.22762	0.2
77.42464	0.3
79.05486	0.6
81.03399	1.1
81.07055	1.6
83.04934	0.6
85.02905	2.8
85.06522	0.4
87.00820	1.0
87.04485	0.3
91.05458	1.0
93.07034	1.2
95.04963	0.4
95.08595	0.8
97.02892	2.2
97.06532	0.6
97.10183	0.4
98.21489	0.7
98.97556	0.3
99.04463	0.9
103.97115	0.3
105.01865	1.4
105.03362	0.7
105.07031	0.4
107.04931	0.6
107.08588	1.0
109.02874	1.0
109.10146	1.1
111.04425	0.4
111.08069	0.3
119.08559	0.4
121.10137	0.9
123.08087	0.3
123.11704	0.4
125.09609	0.4
127.03903	3.0
133.10130	0.6
135.11626	0.4
137.09584	0.4
145.04976	1.7
147.11708	0.5
149.13277	0.4
159.02898	0.8
163.03853	0.4
165.09093	1.3
165.12933	0.3
203.05286	0.7
215.11238	0.3
223.17058	0.4
231.05049	0.7
254.19551	0.3
259.07953	0.5
271.13828	0.4
309.16776	1.4
333.07977	1.0
335.09317	0.4
398.38623	0.3
471.21982	100.0
472.22382	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	471.1821
Annotation	Plagiochin A
Peak:m/z	Relative Intensity
55.05512	1.2
56.96563	14.7
61.02887	1.2
63.70864	0.8
67.05484	1.3
71.17127	2.0
71.95265	2.1
76.79658	0.9
77.46123	0.7
79.05497	1.2
81.03461	0.8
81.07056	1.7
91.05507	1.0
95.08627	1.5
102.92596	1.9
105.07023	1.2
107.08601	1.9
109.10106	1.5
128.98636	2.2
136.93076	5.3
145.10141	0.9
146.99623	2.4
154.94160	22.7
157.10176	0.8
160.01889	1.0
161.01222	1.6
172.95235	95.2
177.95815	1.3
190.96283	69.8
192.95641	1.0
195.96852	7.2
198.96690	1.2
208.97305	2.0
210.96805	10.4
212.98326	2.0
213.97925	3.9
228.97853	33.3
230.99393	1.0
233.98347	1.5
245.10699	1.3
246.98880	7.0
251.99529	2.7
279.12607	0.8
317.17880	56.8
333.17368	2.7
335.18924	31.4
335.22922	1.5
336.19116	1.4
336.41626	0.9
353.20004	1.6
358.20572	8.7
397.14575	5.1
411.16080	2.0
453.17154	45.6
471.18210	100.0
472.18491	2.4
494.19846	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	471.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.6
55.01880	0.5
55.05496	1.8
56.96553	0.8
57.03431	0.7
64.95137	0.4
67.05492	2.0
69.03416	1.0
69.07063	2.4
70.06579	0.7
70.13763	1.5
71.04987	0.9
79.05475	1.4
81.03403	1.1
81.07058	4.8
82.06592	0.7
84.08116	0.7
85.02917	1.7
85.06543	0.9
86.09705	0.5
91.05487	1.2
93.07037	1.9
95.04949	0.6
95.08620	2.6
97.02921	0.8
97.06514	0.8
97.10163	1.5
98.97566	0.7
105.01844	0.7
105.07018	1.4
107.04958	3.4
107.08601	1.7
109.06522	0.5
109.10154	0.9
116.98635	1.0
119.01901	0.7
119.08606	1.2
121.06532	1.2
121.10141	1.2
121.14645	0.6
123.04416	0.8
123.11723	1.5
125.09630	0.5
127.03906	1.4
131.08572	0.8
133.10060	1.0
134.99667	0.7
135.11700	0.6
135.83051	0.6
137.02319	1.4
139.11194	0.7
145.10080	0.6
147.04370	0.5
149.09637	0.7
159.11681	0.6
161.02994	0.5
163.11263	0.7
165.09116	1.3
177.00708	0.9
177.09821	0.5
182.74464	0.6
185.02997	1.0
185.05972	0.6
197.06032	0.9
203.04033	0.7
205.15741	0.6
215.04150	0.6
215.07048	1.4
223.16928	0.8
255.06520	2.8
275.06900	0.8
295.43558	0.6
321.24106	0.7
333.07901	62.3
335.09488	26.7
335.13602	1.1
336.09833	0.6
361.10754	1.1
471.22028	100.0
472.22314	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57671	0.1
53.03924	0.1
55.01856	0.1
55.05507	0.1
56.96541	0.1
60.42678	0.1
63.67896	0.1
66.53386	0.1
67.01870	0.5
68.99777	0.6
69.03416	0.3
69.07040	0.1
69.68121	0.2
69.68515	0.4
70.06590	0.2
71.05000	0.4
72.08150	0.1
79.05481	0.1
81.03417	0.4
81.07047	0.1
84.08138	0.1
85.02901	0.9
85.06512	0.1
86.09690	0.1
89.06030	1.8
91.01859	0.1
91.05488	0.2
93.07026	0.1
95.04967	0.1
95.08569	0.1
97.02881	0.7
98.20741	0.1
99.04469	0.2
107.08594	0.1
109.02887	0.5
123.00874	0.1
123.04358	0.1
125.06000	0.8
127.03064	0.1
127.03927	1.1
133.10146	0.1
136.07541	0.1
137.06007	0.1
145.04968	0.4
147.04411	0.7
151.03893	0.4
153.01787	0.6
169.04955	0.5
175.03877	0.1
188.48503	0.1
191.03477	0.1
192.04178	0.1
193.04967	100.0
194.05280	1.6
208.03641	0.4
209.04454	2.7
209.06454	0.1
210.05006	0.1
215.09169	0.1
223.06061	0.6
235.06017	0.3
261.09668	0.2
301.07077	0.1
355.10266	0.1
417.21396	0.1
471.14804	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35030	0.2
53.03933	0.2
55.01872	0.2
55.05498	0.4
56.96557	0.8
57.56687	0.1
61.02894	0.1
64.69852	0.1
65.03930	0.1
67.01878	0.8
67.05508	0.2
68.99797	0.6
69.03438	0.7
69.07081	0.2
70.02951	0.1
70.06593	1.8
70.96799	0.3
71.04984	0.5
72.08141	0.4
74.02419	0.2
79.05485	0.3
81.03435	0.9
81.07059	0.3
82.06598	0.3
83.04974	0.4
84.04485	0.4
84.08160	0.8
84.96016	0.2
85.02911	1.5
85.06500	0.2
86.09702	1.8
89.06030	1.7
91.05486	1.0
93.07036	0.4
95.08602	0.2
97.02911	1.2
97.06525	0.2
98.97579	0.2
99.04443	0.4
99.05579	0.2
100.03906	0.1
100.07653	0.2
100.11284	0.2
105.07022	0.2
107.04932	0.3
109.02900	0.8
116.07080	0.2
116.98663	0.1
119.04945	0.2
119.08562	0.3
120.08102	0.4
121.10126	0.2
123.07932	0.2
125.05983	0.6
127.03923	1.3
129.10248	0.3
134.09496	0.1
137.02348	0.2
138.09140	0.2
141.10219	0.1
145.04932	0.6
145.10194	0.2
146.04503	0.4
146.99658	0.2
147.04379	1.3
151.03908	0.5
153.01831	0.5
158.99696	0.2
163.03877	0.6
163.07196	0.2
163.11154	0.3
169.04922	0.5
177.00851	0.2
177.12744	0.2
189.00595	0.2
193.04958	100.0
194.05275	2.1
208.03639	0.6
209.04440	3.5
220.65137	0.2
223.02605	0.2
223.06020	1.3
223.13202	0.2
229.15630	0.2
229.65459	0.2
235.06094	0.3
237.02750	0.3
237.14372	0.4
238.16019	0.5
238.66122	0.6
239.16039	0.6
246.14925	1.5
246.64876	0.2
267.01749	0.4
285.13858	0.2
303.05063	1.0
309.13168	0.2
348.04971	0.3
355.10397	0.2
377.01828	0.9
395.02795	0.6
411.16788	0.3
428.26151	0.2
429.17847	0.8
471.13782	0.7
471.19925	1.0
491.29047	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49751	0.3
60.61798	0.3
68.99815	0.4
98.21504	0.8
110.03648	0.3
127.03925	0.3
140.82602	0.3
147.21800	0.3
177.05444	0.6
208.03662	61.4
209.03906	0.5
223.06004	100.0
224.06390	1.2
375.94315	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.2
56.96539	0.2
57.03407	0.2
63.84018	0.1
67.05478	0.2
68.99783	0.3
69.03429	1.3
70.06584	1.2
71.06901	0.2
71.58946	0.2
72.08137	0.2
81.03409	0.9
81.07041	0.3
84.04478	0.2
84.08100	0.4
85.02894	1.4
86.09705	0.9
87.00803	0.4
88.03987	0.2
91.05453	0.4
93.07006	0.2
95.04947	0.2
97.02872	0.7
99.04456	0.4
105.01806	0.2
106.06561	0.2
109.02837	0.4
110.07127	0.2
116.07079	0.2
116.98586	0.2
119.08575	0.3
120.08095	0.2
122.03625	0.2
123.00806	0.2
127.03887	0.6
129.10216	0.3
146.04439	0.1
147.04382	0.4
159.03011	0.2
163.11203	0.2
177.05453	0.4
179.03323	0.5
180.04121	0.5
190.02650	0.2
193.04942	0.7
207.06517	0.2
208.03654	54.4
209.04068	0.8
210.73816	0.1
215.13872	0.2
223.05998	100.0
224.06326	1.7
229.15282	0.1
238.18832	0.2
303.05032	0.2
343.19757	0.1
358.93161	0.2
471.18872	0.5
487.95389	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
54.89116	0.2
55.01858	0.2
55.05508	0.2
56.05020	0.3
56.96551	0.4
57.03417	0.3
65.03923	0.2
65.50957	0.1
67.01859	0.8
67.05494	0.3
68.99783	0.5
69.03420	0.8
69.07058	0.3
69.74660	0.1
70.06242	0.2
70.06589	2.6
70.08014	0.7
72.08144	0.6
74.02415	0.2
74.06059	0.3
79.05476	0.2
81.03398	0.7
81.07026	0.3
83.04947	0.2
84.04488	0.5
84.08129	1.1
85.02896	1.4
85.06555	0.2
85.07661	0.2
85.75694	0.2
86.09695	1.8
87.87347	0.1
91.05479	1.8
93.07021	0.2
95.04969	0.3
95.08572	0.3
97.02875	0.4
97.06512	0.2
98.97602	0.2
99.04433	0.2
102.05535	0.3
105.07004	0.6
109.02861	0.5
109.10152	0.2
110.06023	0.1
110.07135	0.3
116.07111	0.3
116.98594	0.4
117.07005	0.2
119.04903	0.4
119.08600	0.7
120.08119	0.4
121.10075	0.2
125.05959	0.5
127.03905	0.9
127.36937	0.2
129.10246	0.5
133.10132	0.2
134.99670	0.2
135.08037	0.2
136.07523	0.4
137.05936	0.4
143.11765	0.3
145.04939	0.6
145.06117	0.2
145.10052	0.2
146.04425	0.5
147.04401	1.0
147.11678	0.3
151.03873	0.3
153.01837	0.4
163.03935	0.2
163.07170	0.5
164.07152	0.2
165.05493	0.2
167.06961	0.2
169.04977	0.4
171.11375	0.2
175.11176	0.2
177.00598	0.2
193.04955	100.0
194.05281	1.0
201.12338	0.6
203.17905	0.2
205.12119	0.2
216.95735	0.2
219.01773	0.2
223.06027	0.6
223.13217	0.2
229.11978	0.1
229.15393	0.3
237.02831	0.2
242.14845	0.2
265.73718	0.2
291.08667	0.2
309.13632	0.2
403.12891	0.3
464.60040	0.2
471.11810	1.7
471.18005	0.9
471.22375	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.9
56.04985	0.7
56.96559	11.4
57.17861	0.6
60.04527	0.8
69.03429	3.6
69.93015	3.6
70.06593	7.7
71.04970	0.7
72.08155	2.2
81.03406	2.0
82.06576	0.7
83.04988	1.0
83.09766	0.6
84.04481	2.8
84.08145	3.8
84.96011	1.8
85.02902	3.7
85.07671	1.4
86.09695	3.9
90.02525	0.7
91.05478	1.1
95.04975	1.1
97.02873	1.5
97.83309	0.6
98.20733	0.8
98.97581	11.5
99.04427	0.9
99.05552	1.4
102.05521	1.0
105.07027	1.2
109.02873	1.1
110.07122	1.0
110.97558	0.8
116.98616	13.3
119.04912	1.1
119.08605	0.6
122.06004	0.8
124.90044	0.6
127.03903	1.4
128.98573	3.0
129.10239	2.3
130.37964	0.6
131.00157	1.3
131.04904	1.0
133.01801	1.0
134.98637	0.7
134.99661	11.9
136.07610	1.4
138.09129	3.7
139.00557	0.8
140.07010	0.7
140.98608	1.0
143.00143	3.1
146.99681	4.4
147.04378	3.8
149.01172	0.9
153.00749	3.4
153.01779	0.7
154.04893	1.3
157.01686	3.6
158.99637	3.3
160.07472	0.8
161.01244	6.9
161.02499	0.9
162.99147	0.8
163.03853	1.6
164.98683	0.7
170.99670	1.2
175.02782	5.1
177.00706	7.8
179.02272	2.2
181.01691	2.4
182.99669	3.3
189.00693	1.5
193.05022	8.0
195.01735	2.0
199.02725	3.5
201.00684	16.7
203.02182	3.4
205.01733	1.0
206.99701	3.4
207.01596	0.7
213.00729	1.4
216.10109	0.8
219.01743	15.2
223.02757	1.2
225.00694	14.9
226.98561	0.9
228.10164	1.4
229.00316	1.0
230.01807	0.7
230.99529	4.0
231.01768	1.1
237.02757	12.3
243.01750	51.5
244.99660	1.7
245.12909	0.9
246.97556	1.0
248.02409	1.0
249.00676	21.6
249.03242	1.4
255.03969	0.9
256.52551	0.7
261.02820	17.6
263.00702	1.4
266.03436	1.5
267.01749	100.0
268.02078	1.5
272.02155	0.7
273.12402	1.4
274.10623	1.1
279.04007	3.7
281.03516	1.4
285.02792	41.6
290.03360	4.3
291.01688	1.6
291.13336	8.3
292.11786	2.1
295.59625	0.7
299.04321	1.1
303.03882	6.3
308.04492	1.5
309.02762	6.0
309.09802	1.0
311.04407	1.1
325.05954	1.4
327.03809	6.2
333.02701	1.1
345.05325	1.0
351.03876	4.2
353.05392	1.8
363.03867	1.0
367.07068	1.4
369.04861	12.0
375.27414	0.8
387.06058	5.4
393.04840	13.4
393.09399	0.7
411.00516	1.2
411.05972	24.1
412.06305	1.1
429.07019	22.3
430.07288	1.0
452.08478	1.6
454.16974	1.6
471.19174	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.7
56.96559	3.7
57.03435	2.0
57.06819	1.6
57.07072	20.2
58.39402	0.9
60.30579	0.9
67.05501	3.8
68.47233	1.0
69.07058	3.9
69.41960	9.4
71.08630	41.5
73.06559	6.7
79.05495	1.5
81.07056	2.5
83.08595	2.3
83.89931	0.9
85.10175	23.3
85.10654	1.9
87.04466	4.0
89.06030	100.0
89.21835	1.0
91.05486	1.5
92.64620	1.0
93.07046	3.0
95.08593	1.7
98.20695	1.7
98.98438	2.2
107.07078	5.8
107.08627	1.5
117.09159	4.8
117.57750	0.9
119.08644	1.2
119.37634	0.9
121.10133	1.3
127.14806	5.0
130.08643	2.9
131.07056	1.1
133.08598	49.6
135.10077	1.0
136.99962	2.5
154.94159	4.5
155.00999	2.8
155.75200	1.3
171.17413	6.5
172.95238	18.0
174.26268	1.0
177.11224	17.7
190.96278	17.1
195.12323	1.1
195.96800	2.4
210.96796	2.5
212.20154	0.9
213.97836	1.3
215.20062	12.0
221.13826	1.6
228.97787	7.0
239.14873	2.2
246.98932	1.5
259.22678	7.8
261.22040	1.3
283.17465	2.5
307.42474	1.1
317.17834	13.0
327.20135	7.5
335.19037	6.3
358.20679	1.9
365.28766	0.9
397.14651	1.2
425.44666	1.2
453.17151	11.5
453.34216	11.2
471.18298	26.6
471.24725	2.2
494.19806	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	469.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	13.5
55.01873	17.2
55.05503	14.6
56.69833	4.0
57.07072	5.1
58.45274	5.4
67.05506	42.6
68.99796	11.1
69.03420	38.5
69.07067	25.0
71.04994	8.8
73.02917	9.7
79.05498	40.2
81.03429	40.1
81.07055	100.0
83.04978	10.4
83.08598	6.9
85.02909	73.5
87.00819	18.6
91.05480	43.9
93.07040	57.2
95.04980	25.3
95.08602	93.5
97.02892	33.4
97.06518	13.9
97.10184	5.0
99.04459	18.0
103.03915	6.9
105.01856	17.3
105.07024	79.7
107.04950	35.4
107.08595	59.6
109.02863	21.3
109.06499	9.8
109.10153	52.2
111.04456	5.2
111.08095	4.4
111.11720	5.4
115.39037	4.0
117.01855	4.3
117.07018	19.4
119.08580	60.8
121.06512	13.1
121.10153	48.1
123.04412	15.6
123.08054	10.0
123.11697	15.5
125.05978	6.1
127.03909	34.0
129.01793	7.0
129.06981	13.1
131.08557	29.6
133.06451	11.9
133.10129	41.1
134.04680	4.5
135.08022	10.4
135.11694	19.1
137.06003	12.1
139.11169	4.7
142.07779	5.4
143.08568	14.3
145.04964	8.8
145.10098	36.0
147.02887	5.8
147.08044	8.9
147.11679	45.7
149.09653	9.8
149.13255	48.6
151.07547	11.5
151.41702	4.7
154.07877	6.2
155.08563	10.9
157.10138	12.9
159.02907	20.7
159.11673	19.3
161.09616	5.7
161.13275	20.7
163.07544	5.6
163.14798	7.9
165.12717	9.5
169.10104	9.3
171.11673	9.6
173.13283	11.4
175.14822	14.3
177.09135	5.3
177.16351	7.6
183.11732	7.7
185.09592	6.0
185.13327	10.2
187.14807	19.3
189.03926	6.5
189.16391	33.9
199.14836	6.4
201.16386	23.7
203.17946	61.1
205.15974	6.5
213.12659	5.7
213.16389	9.2
215.06978	6.5
215.14316	5.4
215.17967	9.3
219.17474	7.6
221.19078	31.2
227.17886	8.7
231.04997	7.6
231.17320	7.9
237.16254	5.4
239.17978	7.2
243.17516	6.4
245.18967	13.9
251.06871	5.2
257.19135	6.1
261.18604	6.5
263.20068	6.1
269.19046	6.1
275.20111	8.9
283.20404	4.5
287.20200	7.2
293.08020	7.9
293.18829	6.8
311.19943	25.7
329.21100	17.3
363.12570	5.3
415.20892	7.7
433.22205	21.0
451.23236	15.6
469.23956	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	469.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	14.0
55.01860	12.6
55.05507	21.1
57.03428	8.1
57.07067	3.9
59.04995	2.6
60.72130	2.7
61.02903	6.2
67.05498	25.4
68.88820	2.5
68.99784	6.4
69.03426	29.2
69.07067	25.7
71.04984	8.9
71.39553	6.8
73.02898	5.1
79.05501	24.6
79.58509	2.8
81.03416	29.0
81.07053	58.9
83.04965	21.7
83.08612	12.7
85.02905	49.0
85.06545	5.7
87.00822	20.8
90.03014	2.6
91.05471	45.8
93.07036	100.0
95.04970	20.6
95.08600	46.7
97.02864	19.3
97.06513	10.2
97.10164	2.8
99.04443	12.3
103.03906	4.0
105.01869	9.7
105.07030	55.5
107.04946	11.6
107.08586	51.2
109.02886	20.2
109.06493	13.4
109.10156	50.3
111.04418	6.6
111.08079	36.3
111.11677	3.4
115.03922	6.2
115.05464	2.5
117.07002	7.3
119.08569	47.9
121.06473	9.6
121.10124	32.2
123.04382	3.3
123.08054	8.9
123.11720	14.1
125.09616	10.7
127.03908	23.1
128.06241	3.8
129.01837	4.5
129.05470	4.6
129.07013	6.6
131.08563	16.0
133.06523	5.4
133.10106	21.5
135.04459	3.2
135.08051	8.7
135.11694	25.0
137.09613	10.0
137.10655	2.6
139.11124	4.1
141.06926	3.7
142.07767	5.2
143.03416	3.0
143.08554	10.1
145.04967	9.2
145.10097	18.2
147.07985	3.4
147.11697	44.9
149.09628	7.0
149.13239	8.3
151.11168	4.6
155.08498	4.5
157.10117	9.2
159.02888	7.4
159.08003	4.2
159.11668	17.5
161.09575	4.8
161.13235	14.9
163.11157	4.4
163.14883	3.9
165.12796	5.6
167.07135	4.5
168.09229	3.4
169.10085	4.3
171.11684	2.6
173.13239	9.1
175.11153	4.8
175.14844	6.9
177.09061	5.0
177.12717	2.5
179.10510	4.2
185.01195	2.5
185.13159	5.4
187.11310	3.3
187.14735	4.2
189.03928	4.8
189.12733	2.9
189.16377	3.0
191.10617	4.1
195.11656	2.8
201.16342	8.9
203.14384	3.9
203.17937	37.0
213.16306	4.2
215.17938	5.0
216.12187	3.9
219.17520	7.4
221.19002	8.2
227.17908	5.8
231.04988	3.8
231.17378	4.0
233.18967	3.9
245.19067	5.0
257.18985	4.2
261.18484	3.4
293.18845	4.0
311.20081	9.5
329.21167	8.9
373.93536	3.0
433.22131	6.1
451.23016	8.2
465.84259	3.1
469.24655	5.5
482.50302	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	469.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11433	2.9
53.03933	14.8
55.01873	17.5
55.05508	28.7
56.96563	8.6
57.03434	4.7
57.07050	7.9
61.02905	11.5
65.03947	3.4
66.09800	3.5
67.05502	43.4
68.99780	8.1
69.03432	53.4
69.06779	3.9
69.07069	43.0
70.06590	5.2
71.04997	35.6
71.59680	6.1
73.02903	7.9
74.02424	3.1
79.05493	43.5
81.03419	53.3
81.07057	100.0
82.06580	5.7
83.04979	17.4
83.08598	10.5
84.04508	5.0
84.96025	3.4
85.02907	76.3
85.06538	7.9
86.09705	4.9
87.00829	30.0
87.04459	5.0
91.05477	39.1
91.30299	3.9
93.07044	65.3
95.04967	26.9
95.08045	5.6
95.08606	72.8
97.02891	32.4
97.06526	47.6
97.10162	12.5
98.97559	4.8
99.04433	9.2
99.08106	4.4
103.03940	7.8
103.05520	4.8
105.01852	15.8
105.04569	4.1
105.06380	5.5
105.07035	68.0
107.04935	17.6
107.08601	61.8
109.02889	26.7
109.06511	15.0
109.09460	4.3
109.10155	69.3
111.04448	14.2
111.08054	6.8
111.11683	4.6
115.03901	11.8
116.98596	6.9
117.07023	17.8
119.04933	3.6
119.08577	63.4
121.06489	14.5
121.10137	59.6
123.04424	16.8
123.08058	14.4
123.11690	38.3
125.09641	7.7
127.03935	33.8
127.11190	31.3
128.06165	5.0
129.01804	15.0
129.06995	14.4
130.07758	5.3
131.00110	4.5
131.04880	4.1
131.08562	32.3
133.06499	6.8
133.10133	49.2
135.04367	8.1
135.08038	10.9
135.11674	34.7
137.05933	10.7
137.09604	7.2
137.13231	11.0
139.11169	6.6
141.07025	8.3
142.07755	5.1
143.08554	24.0
145.04958	8.0
145.06514	5.9
145.10114	54.3
146.04466	10.7
147.02879	8.1
147.08018	8.6
147.11693	41.4
149.09668	7.0
149.13264	21.8
151.07495	4.0
151.11122	9.1
153.12772	5.3
153.30756	3.9
155.08556	10.8
156.09346	7.0
157.10129	31.4
159.02921	10.7
159.08041	5.7
159.11676	51.2
161.02332	8.0
161.05911	3.8
161.09586	8.5
161.13223	18.6
163.03906	28.7
163.07567	5.7
163.11099	7.0
163.14803	4.9
165.12718	4.7
167.08508	7.2
169.10065	16.8
171.02985	4.0
171.08017	9.0
171.11662	21.3
173.02405	20.2
173.09612	7.9
173.13245	17.1
175.11171	11.0
175.14793	12.3
177.09149	4.8
177.12746	8.4
177.16333	4.5
181.10106	9.0
183.11716	11.2
185.05988	4.2
185.09679	4.5
185.13269	12.5
187.11224	6.6
187.14806	10.3
189.03983	8.7
189.12733	7.9
189.16359	22.0
191.14319	7.3
191.17830	4.0
192.09409	4.9
193.19467	6.6
195.11682	5.9
197.13274	15.0
199.14810	6.1
201.03850	4.7
201.12723	10.5
201.16335	24.6
203.17979	33.9
205.19609	4.7
207.11688	10.8
209.13242	5.3
211.14822	5.2
213.12717	5.0
213.16414	11.7
215.06992	30.2
215.17953	8.3
216.12334	20.9
219.01659	6.7
219.17354	10.3
221.18982	14.8
225.12672	14.9
227.17839	9.9
231.05074	6.7
231.17349	8.2
233.19048	6.0
237.02820	4.9
241.15704	4.3
243.13876	8.7
243.17403	8.6
245.10405	6.2
245.19003	9.8
251.17943	3.8
257.19043	4.0
259.09717	41.8
260.09979	4.5
263.20172	7.9
265.19595	4.1
269.18942	7.2
275.20096	4.6
277.10687	36.6
287.19919	5.4
293.18945	10.2
305.21075	5.2
311.19894	27.0
323.14154	15.0
329.20953	11.1
347.22238	4.5
415.21094	6.1
433.22125	16.1
451.23190	26.1
469.20053	12.1
469.25150	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	469.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45512	4.6
53.03936	15.2
55.01868	20.2
55.05508	27.3
56.96569	4.0
57.03426	12.8
57.07064	9.8
61.02924	10.7
61.05432	3.7
65.03932	3.4
67.05505	37.7
68.52816	3.5
68.99768	11.2
69.03428	60.2
69.07062	39.6
70.06580	11.3
70.46954	12.8
70.47314	7.4
71.04981	38.8
72.08128	3.8
73.02905	6.2
79.05486	47.6
81.03422	50.6
81.07051	100.0
83.04976	13.3
83.08609	11.6
85.02903	83.2
85.03354	2.3
86.09712	10.6
87.00817	29.8
87.04469	5.9
87.86094	4.3
91.05465	45.7
93.07043	69.0
95.04949	35.1
95.08589	57.1
97.02895	32.3
97.06528	56.7
98.97571	6.1
99.04441	12.5
99.08144	5.2
105.01849	16.7
105.06388	5.3
105.07032	77.9
107.04954	37.7
107.08582	69.6
109.02888	19.8
109.06512	19.5
109.10146	82.7
111.04424	10.8
111.08047	7.2
113.37757	3.5
115.03904	9.0
117.01831	4.2
117.06996	12.3
119.04900	7.4
119.08569	66.9
121.06499	29.8
121.10131	58.6
123.04424	13.6
123.08044	17.0
123.11701	27.4
125.09606	12.6
127.03902	40.8
127.11161	36.7
128.06226	8.5
129.01851	9.2
129.06972	12.7
131.04918	12.4
131.08583	38.6
133.06479	11.3
133.10123	60.9
135.04408	8.1
135.08028	11.9
135.11670	49.5
137.05949	15.5
137.09618	11.5
137.41422	4.3
141.06958	7.1
142.07751	8.9
143.08572	20.4
145.02794	6.9
145.04926	8.5
145.10130	45.7
146.04440	4.5
147.02875	6.7
147.04361	9.7
147.08022	15.0
147.11684	53.1
149.05948	15.2
149.09627	10.6
149.13248	14.7
153.05315	4.7
153.12711	23.0
155.08543	10.1
156.09296	6.3
157.10146	26.3
159.02885	12.7
159.04399	9.0
159.08052	12.8
159.11676	56.2
161.02338	11.3
161.05910	8.6
161.09621	16.1
161.13214	35.5
163.03876	40.1
163.07401	4.3
163.11150	7.3
163.14748	6.3
167.07033	48.6
169.10103	17.7
171.07979	11.5
171.11674	21.6
171.27213	4.6
173.02359	20.2
173.09637	9.8
173.13254	16.9
175.11183	13.3
175.14815	16.4
177.05464	26.7
177.12665	7.4
177.16428	7.7
181.10095	5.7
183.11687	12.1
185.06049	6.3
185.09669	5.2
185.13252	10.5
187.11166	7.5
187.14813	8.2
189.03954	11.1
189.09030	6.9
189.12706	7.5
189.16418	13.8
191.10533	5.4
191.14343	3.9
193.05008	5.4
193.15906	9.2
195.11641	5.3
197.13364	6.8
201.12654	9.6
201.16364	15.8
203.14331	11.5
203.17990	20.7
205.15729	4.6
207.06519	5.1
207.11751	6.1
209.08052	13.9
209.13194	6.0
211.14818	4.7
213.12785	10.3
213.16470	6.2
215.07018	32.4
215.18004	5.2
219.17447	7.7
221.15369	6.7
221.18974	9.9
223.14909	5.3
225.12723	13.3
227.09047	10.0
227.17963	11.9
231.17363	6.9
233.19022	7.4
241.15628	4.8
243.13800	11.1
243.17480	5.7
245.18976	11.0
255.10149	9.8
257.18890	5.3
259.09671	46.4
259.17090	4.6
260.10059	10.4
267.10162	9.3
269.18988	4.2
273.18607	5.2
277.10757	38.7
279.10056	5.8
287.20190	4.7
293.18784	6.8
311.20087	21.1
329.20969	14.3
347.14990	5.8
388.15881	5.0
433.22348	13.9
451.17517	8.0
451.23212	19.2
469.20029	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	469.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	13.6
55.01877	15.2
55.05515	19.8
57.03429	12.5
57.07070	4.9
59.05002	3.6
61.02915	10.8
63.18502	2.5
64.74449	2.5
67.05514	38.5
68.99787	11.7
69.03428	50.9
69.07066	28.8
69.28197	33.7
70.93526	2.7
71.04984	11.8
71.92896	2.6
73.02912	8.8
77.06030	3.0
79.05491	32.2
81.03420	47.8
81.07060	100.0
83.04980	12.9
83.08623	12.0
85.02909	76.2
85.06554	6.7
87.00826	37.3
91.05485	41.3
93.07045	87.7
95.04978	23.1
95.08607	80.8
97.02884	22.4
97.06524	8.7
97.10160	7.1
99.04486	17.1
103.03913	6.5
105.01846	22.3
105.07030	77.1
107.04943	17.8
107.07868	3.8
107.08595	77.4
108.85931	3.1
109.02887	33.8
109.06509	20.7
109.10149	66.2
111.04454	14.1
111.08089	16.8
111.11711	3.8
113.02393	3.2
115.03944	10.1
115.05519	3.4
117.01946	3.6
117.07017	12.9
119.08578	82.0
121.06525	8.7
121.10139	46.1
123.04445	9.0
123.08069	9.4
123.11728	19.4
125.09652	22.9
127.03923	38.1
128.48766	3.1
129.01854	13.9
129.05399	3.2
129.06989	7.2
131.08554	31.3
133.06474	5.4
133.10129	46.8
135.08020	6.8
135.11707	30.8
137.05992	5.2
137.09595	14.7
137.13264	5.1
139.11162	6.2
141.06952	3.9
142.07777	4.4
143.08566	13.7
145.04948	14.4
145.10126	34.3
147.02922	6.3
147.08055	7.1
147.11684	84.3
149.05994	3.3
149.09641	14.8
149.13249	11.7
151.07573	6.6
151.11154	7.1
153.09106	4.5
155.08525	5.6
157.10156	17.2
159.02843	15.3
159.08070	5.3
159.11674	24.7
161.09654	10.0
161.13292	21.9
163.11191	9.8
163.14804	5.9
165.09157	4.8
165.12778	10.2
167.10849	3.5
169.10101	9.8
171.11751	13.4
173.09668	9.4
173.13301	15.6
175.11224	9.3
175.14813	13.8
177.12764	7.1
177.16403	6.3
181.10127	8.5
183.11681	5.3
185.13281	8.0
187.11212	6.9
187.14856	8.2
189.03981	5.4
189.12735	6.3
189.16428	3.1
191.10646	9.0
191.14252	4.1
195.10172	3.6
195.11794	4.1
197.13171	3.9
199.11185	3.6
199.14880	6.3
201.12750	5.6
201.16344	22.5
203.14383	4.3
203.17961	56.5
206.07387	3.8
209.13280	4.8
213.12791	4.7
213.16376	7.2
215.17917	11.3
219.05118	3.4
219.17534	17.6
221.19011	15.2
227.14445	3.7
227.17892	4.6
231.05051	7.5
231.13878	4.5
231.17595	6.9
233.19080	6.8
239.18175	4.1
243.17519	7.1
245.19080	13.8
257.19043	6.2
261.18573	4.2
269.18988	4.5
287.19897	7.1
293.18933	5.5
311.19989	21.9
329.21173	12.8
347.22375	4.8
365.23349	6.1
415.21265	4.9
433.22525	14.0
451.23056	12.8
469.19464	3.8
469.24850	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	469.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	14.0
55.01860	12.6
55.05507	21.1
57.03428	8.1
57.07067	3.9
59.04995	2.6
60.72130	2.7
61.02903	6.2
67.05498	25.4
68.88820	2.5
68.99784	6.4
69.03426	29.2
69.07067	25.7
71.04984	8.9
71.39553	6.8
73.02898	5.1
79.05501	24.6
79.58509	2.8
81.03416	29.0
81.07053	58.9
83.04965	21.7
83.08612	12.7
85.02905	49.0
85.06545	5.7
87.00822	20.8
90.03014	2.6
91.05471	45.8
93.07036	100.0
95.04970	20.6
95.08600	46.7
97.02864	19.3
97.06513	10.2
97.10164	2.8
99.04443	12.3
103.03906	4.0
105.01869	9.7
105.07030	55.5
107.04946	11.6
107.08586	51.2
109.02886	20.2
109.06493	13.4
109.10156	50.3
111.04418	6.6
111.08079	36.3
111.11677	3.4
115.03922	6.2
115.05464	2.5
117.07002	7.3
119.08569	47.9
121.06473	9.6
121.10124	32.2
123.04382	3.3
123.08054	8.9
123.11720	14.1
125.09616	10.7
127.03908	23.1
128.06241	3.8
129.01837	4.5
129.05470	4.6
129.07013	6.6
131.08563	16.0
133.06523	5.4
133.10106	21.5
135.04459	3.2
135.08051	8.7
135.11694	25.0
137.09613	10.0
137.10655	2.6
139.11124	4.1
141.06926	3.7
142.07767	5.2
143.03416	3.0
143.08554	10.1
145.04967	9.2
145.10097	18.2
147.07985	3.4
147.11697	44.9
149.09628	7.0
149.13239	8.3
151.11168	4.6
155.08498	4.5
157.10117	9.2
159.02888	7.4
159.08003	4.2
159.11668	17.5
161.09575	4.8
161.13235	14.9
163.11157	4.4
163.14883	3.9
165.12796	5.6
167.07135	4.5
168.09229	3.4
169.10085	4.3
171.11684	2.6
173.13239	9.1
175.11153	4.8
175.14844	6.9
177.09061	5.0
177.12717	2.5
179.10510	4.2
185.01195	2.5
185.13159	5.4
187.11310	3.3
187.14735	4.2
189.03928	4.8
189.12733	2.9
189.16377	3.0
191.10617	4.1
195.11656	2.8
201.16342	8.9
203.14384	3.9
203.17937	37.0
213.16306	4.2
215.17938	5.0
216.12187	3.9
219.17520	7.4
221.19002	8.2
227.17908	5.8
231.04988	3.8
231.17378	4.0
233.18967	3.9
245.19067	5.0
257.18985	4.2
261.18484	3.4
293.18845	4.0
311.20081	9.5
329.21167	8.9
373.93536	3.0
433.22131	6.1
451.23016	8.2
465.84259	3.1
469.24655	5.5
482.50302	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	469.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.05503	10.8
57.03429	7.2
60.72636	1.7
61.71233	1.6
67.05506	31.0
67.63386	1.7
69.03407	1.9
69.07080	9.2
77.86573	1.6
79.05485	16.3
81.07057	27.9
85.02891	3.2
85.35429	1.6
87.01801	1.9
91.05471	8.6
93.07042	19.7
95.04929	3.1
95.08617	17.7
105.07023	6.7
107.08593	9.1
109.10165	7.8
119.08580	4.2
121.10169	6.0
123.11681	2.7
130.29929	1.6
131.08598	3.5
133.10130	3.2
134.98183	100.0
135.11646	2.7
142.59917	2.1
149.13335	1.7
152.29488	1.7
152.99323	2.4
170.99026	6.9
176.00935	2.6
189.00056	11.6
227.01648	6.9
301.20187	4.7
319.21439	2.6
327.28525	1.8
335.25775	42.9
337.22296	2.1
357.23920	18.9
469.23163	52.4
487.23224	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
55.05498	0.5
57.03437	0.5
67.05488	0.5
69.03430	1.6
70.06598	1.8
70.84846	0.7
71.04990	0.3
71.39007	0.3
72.08156	0.7
73.02950	0.3
73.66275	0.3
75.04356	0.3
79.05526	0.4
81.03412	0.9
81.07066	0.5
83.04972	0.3
84.04503	0.6
84.08147	1.4
85.02909	1.3
86.09704	1.3
91.05463	0.4
93.07040	0.7
95.08585	0.4
97.02882	0.9
98.97603	0.4
101.02103	0.3
102.05518	0.3
103.05545	0.3
105.07063	0.3
107.08603	0.3
109.06511	0.3
110.07156	0.5
120.08086	1.0
127.03820	0.4
129.10248	0.6
135.11682	0.3
135.95703	0.3
136.07568	0.7
149.06047	0.4
161.02940	0.4
161.06033	0.4
164.07062	0.5
167.08487	0.4
174.22948	0.3
175.03716	2.0
185.14673	0.3
187.04501	0.4
193.04956	0.4
199.07660	0.4
229.06868	0.6
239.03970	0.4
253.21417	0.3
259.09561	0.5
271.22675	0.6
277.10666	1.6
284.88791	0.3
317.08432	10.1
469.13181	100.0
470.13470	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	467.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	13.0
57.07071	36.7
59.05005	4.6
65.03951	3.6
67.05505	100.0
69.07071	8.7
69.48367	3.2
69.48769	14.4
71.04989	2.1
71.08627	24.5
79.05512	2.3
81.07047	31.2
83.08606	15.3
85.06522	3.0
85.10191	14.8
91.05472	3.6
93.07062	3.1
95.08604	26.8
97.10175	5.5
98.20770	4.2
107.08620	2.4
108.92994	1.9
109.10150	78.4
111.08099	3.1
119.08556	4.3
123.11716	5.3
137.09618	4.8
155.10680	4.1
173.11742	26.2
215.55676	1.9
239.23727	8.6
253.17767	2.1
257.39639	1.9
467.37350	83.5
468.37750	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3084
Annotation	2-tetradecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05512	0.5
56.05028	1.1
57.03419	0.8
57.07072	3.3
58.06590	1.6
60.07875	1.0
60.08163	16.4
65.00404	0.4
66.97618	0.4
67.05485	1.0
69.07052	0.8
70.21812	0.9
70.22216	1.2
71.07370	5.9
71.08626	2.7
77.43990	0.5
79.70084	0.5
81.07045	1.7
85.10181	0.9
86.09703	49.8
95.08601	1.7
98.98446	3.4
104.10739	100.0
107.61926	0.4
109.10138	0.9
112.61227	0.5
117.88426	0.5
124.99999	25.1
135.77477	0.5
143.01079	0.6
163.01520	0.8
177.16122	0.5
184.07333	99.3
185.07690	0.7
248.53952	0.6
258.10956	1.0
285.24286	2.1
391.22610	0.5
393.65094	0.6
450.29813	9.0
468.30859	28.1
469.31058	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44464	0.9
55.05495	4.4
57.03431	2.2
57.07075	35.1
58.58412	0.8
67.05510	3.1
69.07045	3.2
70.91184	0.9
71.08630	31.3
73.06561	7.9
81.07047	3.6
83.08629	5.5
85.10181	24.2
87.04493	5.2
89.06030	100.0
95.08603	3.9
97.10169	1.9
98.98467	8.1
99.11722	3.3
107.07050	5.3
107.08569	1.2
109.10175	2.8
117.09151	4.8
130.08630	3.2
131.07025	1.1
133.08595	39.2
141.16373	3.5
155.01045	9.0
168.78754	0.9
177.11214	9.7
185.19011	3.3
221.13873	1.8
229.21567	2.1
239.23743	1.8
297.44727	1.2
312.26007	1.1
313.27295	13.9
449.26129	2.2
467.33173	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36293	0.6
56.96560	1.3
57.02879	0.6
59.06101	0.7
59.07615	0.6
60.04504	1.4
65.03925	1.0
67.05476	1.5
69.03455	0.9
69.59903	1.9
69.60329	2.7
70.06586	0.9
72.93795	0.7
76.35945	0.7
79.05485	2.2
81.03409	0.9
83.04978	2.9
83.06110	0.9
84.04484	0.9
84.08152	1.1
85.02873	0.9
89.03915	12.8
90.94819	0.7
95.04948	3.4
97.02882	1.4
105.03378	0.7
106.89698	0.6
107.04949	4.0
111.04443	2.6
117.03376	12.7
120.08095	1.1
121.02861	2.1
123.04426	1.4
133.02818	0.7
135.04410	27.0
136.04729	1.3
139.03868	1.4
143.00113	0.8
145.02837	16.9
146.06003	1.0
147.04384	1.3
150.96902	1.4
151.03886	0.7
158.97328	0.8
161.01244	0.7
162.05479	1.3
163.03899	100.0
164.04243	4.1
166.97844	0.7
174.05547	0.6
176.07178	0.8
176.21436	0.7
179.03398	0.9
182.94519	0.7
188.07072	0.8
190.08615	0.8
204.06505	1.2
215.08197	0.8
216.95918	1.4
224.98372	1.2
234.96892	14.4
235.07466	0.7
235.97473	0.7
236.97862	0.7
248.94781	2.6
252.97937	34.9
253.98297	1.2
257.98471	1.0
266.95914	1.8
267.91321	0.6
271.01202	1.0
276.97675	3.2
277.07974	0.9
295.09268	1.0
302.99524	6.1
307.01190	1.1
307.07999	0.7
312.97961	1.2
319.08105	2.0
326.99457	2.8
329.01117	1.1
330.98938	7.7
336.97937	1.3
337.09036	2.6
345.00430	1.7
354.98932	1.5
363.01569	6.0
372.99994	3.4
391.01212	4.8
409.02097	14.1
451.13101	1.3
456.35901	0.7
469.14114	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90168	0.9
53.03938	3.3
55.01863	2.0
55.05508	26.8
57.03440	9.9
57.07073	1.6
65.03926	3.2
67.05502	55.9
69.03410	1.2
69.07065	26.1
71.04995	8.2
79.05489	32.0
81.07053	95.2
82.07374	1.3
83.04979	5.6
83.08617	17.3
85.06535	6.9
87.04467	1.3
91.05478	34.3
93.07042	31.2
95.04967	3.8
95.08602	100.0
97.06526	18.3
97.10162	5.2
99.08090	6.8
101.06046	1.3
105.07029	28.3
107.08585	10.9
109.06501	3.0
109.10157	11.0
111.08067	4.8
113.09640	2.6
115.07558	0.9
116.95376	1.0
117.07013	1.8
119.08572	38.2
121.10136	8.4
123.08057	5.6
123.11793	1.0
125.09626	1.7
131.08577	1.5
133.10118	23.3
135.11699	11.3
137.09641	3.3
137.13257	8.3
141.09100	1.1
141.81920	1.0
145.10135	1.5
159.11673	1.5
161.13251	61.1
179.14301	37.3
192.46892	0.9
197.15350	2.1
253.17978	22.7
271.19052	5.3
275.11130	1.0
357.27789	2.0
375.28912	1.9
431.31750	1.4
449.32870	5.5
467.33884	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	467.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.01873	3.3
55.05510	33.0
57.03432	7.2
57.07061	2.4
58.47709	1.4
65.03931	1.7
67.05505	57.9
69.07065	25.7
69.87608	4.4
69.88025	3.6
71.04980	8.1
79.05493	28.8
81.07055	94.9
83.04987	6.9
83.08624	18.7
85.06557	7.2
86.74088	1.6
89.06009	2.0
91.05479	33.9
93.07040	29.5
95.04968	4.3
95.08602	100.0
97.06534	16.5
97.10173	4.8
98.98443	2.5
99.08086	6.6
105.07022	27.4
105.07669	2.2
107.08597	9.8
109.06536	4.1
109.10158	11.6
111.08079	2.6
113.09637	3.6
115.07558	2.1
117.07011	2.8
119.08575	33.4
121.09414	1.5
121.10121	8.2
123.08080	5.4
131.08562	2.1
133.10127	21.9
135.11710	10.2
137.09627	3.8
137.13235	6.8
151.11151	1.9
159.11682	2.2
161.13252	52.5
179.14301	35.8
197.15341	1.5
204.40329	1.6
253.17972	25.7
271.19025	6.9
313.26404	1.6
357.27740	1.8
384.45023	1.7
449.32751	6.1
467.33203	6.2
492.81750	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3368
Annotation	Varanic acid
Peak:m/z	Relative Intensity
53.03920	0.8
54.45294	0.6
55.01877	6.1
55.05510	11.3
57.07074	11.3
59.79086	0.7
65.03931	1.0
67.05515	4.3
68.64626	0.6
69.03421	1.9
69.07067	23.9
69.97527	2.6
71.08630	6.2
79.05486	1.2
81.07059	8.7
83.08143	0.8
83.08621	16.1
85.02908	1.2
85.10201	3.5
88.17896	0.6
89.06023	0.9
93.03392	1.4
93.07034	1.7
95.04966	1.0
95.08599	8.6
97.06551	1.1
97.10163	10.1
99.11776	0.7
103.10770	0.8
105.07035	1.8
107.08582	2.1
109.06496	0.9
109.10143	5.2
111.11713	5.5
113.02345	2.4
119.08604	1.5
121.06502	1.3
121.10134	1.4
123.04444	1.0
123.08089	1.9
123.11709	2.1
125.02352	100.0
125.13252	3.6
126.02715	1.0
127.03937	1.1
131.08525	0.7
133.10103	1.0
135.08128	1.2
135.11707	1.0
137.02341	2.4
137.09637	0.8
137.13232	1.2
139.03900	11.2
139.14798	1.4
143.03429	1.0
145.10176	0.9
149.02316	8.6
149.09619	1.6
151.07539	1.0
151.14815	0.9
153.05418	3.6
155.01025	0.8
155.03391	2.0
157.10139	0.8
161.09599	1.2
163.07544	1.8
163.11221	0.8
167.03397	17.2
167.04721	1.4
167.07072	4.1
173.04437	5.1
177.09154	1.6
181.04884	0.8
181.08643	6.0
185.04456	74.0
186.04770	1.0
187.14998	0.7
189.09084	1.4
191.10663	1.6
193.08563	1.7
195.10168	4.9
199.06033	7.9
203.05511	1.2
207.10207	2.4
207.13933	0.9
209.08098	2.0
209.11752	2.2
213.07469	3.2
223.09651	1.7
225.11314	1.2
226.07033	1.5
227.09183	5.9
235.09703	1.2
237.11169	0.9
237.14861	1.7
241.10684	10.6
251.16377	0.8
253.10762	2.5
255.12302	5.5
267.12387	2.0
269.13837	4.2
281.13791	1.3
283.15472	4.9
295.15485	2.2
297.16980	5.2
309.16968	2.4
311.18481	7.3
323.18530	3.9
325.20172	5.2
333.05923	0.8
337.20139	3.0
339.21683	4.4
351.21689	1.7
353.23248	4.6
365.23312	1.6
367.24921	4.1
379.24756	1.9
381.26489	1.4
393.26398	1.8
431.31354	1.8
449.32639	25.0
450.32468	0.9
467.21970	1.4
467.33502	9.6
467.38452	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14604	0.2
56.96567	23.5
61.18446	0.1
63.22502	0.1
69.03419	0.2
69.07073	0.2
70.67346	0.5
71.95265	2.6
72.96043	1.4
74.97623	0.6
81.00211	0.2
81.07056	0.2
84.96025	0.4
85.02942	0.2
86.82278	0.2
92.98643	0.2
97.96873	0.5
98.30322	0.2
105.00172	0.3
110.97636	0.7
115.97822	0.2
119.01716	0.2
123.01187	0.6
128.98596	0.8
133.01752	0.3
137.02776	0.8
139.69638	0.2
141.02240	0.5
146.99678	0.5
147.03247	0.2
149.02611	0.2
151.00706	0.2
151.04327	0.5
155.03819	1.0
156.17119	0.2
161.13297	0.2
165.00793	0.2
167.03812	0.3
169.01775	0.2
169.05392	0.5
173.04822	0.2
179.07390	0.4
183.03323	0.2
183.06958	0.4
187.02794	0.2
187.06284	0.2
193.09012	0.2
195.06927	0.5
197.08504	0.8
199.06461	0.2
205.08997	0.2
207.10481	0.2
211.06418	0.3
211.09856	0.2
213.07976	0.4
217.07619	0.2
222.55865	0.1
223.10017	2.2
224.84029	0.2
225.11687	0.2
235.10040	2.9
235.12170	0.3
239.09549	0.2
241.11115	27.5
242.09071	0.2
242.11450	0.7
247.08611	0.2
251.09564	0.2
253.11108	50.7
254.11456	1.0
259.12177	45.5
259.51987	0.2
260.12543	0.7
261.12634	0.3
264.12726	1.5
269.10544	0.2
271.12161	100.0
272.12469	1.7
276.12711	1.3
277.13281	0.4
282.13724	1.7
285.13770	0.3
289.13232	6.4
294.13760	5.9
295.13992	0.3
312.14697	0.4
467.26846	8.8
468.27271	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	14.7
55.01871	16.3
55.05511	20.2
56.05026	4.6
56.96547	5.3
57.03434	14.5
57.07079	4.9
61.02915	10.8
65.03929	4.2
67.05497	25.1
68.99782	6.8
69.03074	4.1
69.03426	56.2
69.07066	26.0
70.06576	6.7
71.04977	7.8
71.60104	4.8
73.02912	13.6
76.35371	2.4
79.05488	29.7
81.03415	62.2
81.03855	5.8
81.07054	75.8
83.04975	10.6
83.08618	8.6
84.08136	5.1
85.02419	5.7
85.02901	84.7
85.06541	6.4
86.09698	5.8
87.00826	30.4
91.05479	35.5
93.07040	62.7
95.04952	20.7
95.08604	59.4
95.45950	2.3
97.02885	39.2
97.06532	17.6
97.10172	3.9
98.97616	5.3
99.04443	22.3
100.03996	3.0
103.04020	4.0
103.05417	2.8
105.01869	22.3
105.07021	100.0
107.04931	9.0
107.08593	81.8
109.02873	51.1
109.06507	10.2
109.10154	27.4
111.04436	9.2
111.08031	2.9
115.03932	4.3
115.05431	3.9
116.98627	3.5
117.01836	5.7
117.07024	12.7
119.04912	3.0
119.08569	56.2
121.06503	6.8
121.10139	52.5
123.04423	6.1
123.08058	8.3
123.11695	9.7
125.09605	4.3
127.03910	61.2
128.06276	5.3
129.01865	12.0
129.06987	14.4
130.07782	6.2
131.08557	38.5
133.10129	47.5
133.50468	2.7
134.99695	3.3
135.08046	6.2
135.11699	9.6
137.05989	7.6
137.09596	3.9
139.03854	2.7
139.11150	4.8
141.10265	2.7
142.07741	5.3
143.00107	3.2
143.08606	16.4
144.09280	6.6
145.04950	20.3
145.10115	92.3
146.10912	3.4
147.02824	5.7
147.08025	5.3
147.11699	32.3
149.05988	3.6
149.09595	3.0
149.13264	6.9
151.11169	4.2
155.08514	5.0
156.09311	4.8
157.10100	16.9
159.02885	20.6
159.11694	71.8
161.09612	3.4
161.13248	28.4
163.03885	6.8
163.07558	5.3
163.11148	6.4
163.14774	6.9
164.07108	4.7
167.07077	5.4
167.08499	3.2
168.09157	3.1
169.10135	5.6
171.11665	12.0
173.13235	25.2
175.11211	3.9
175.14827	5.6
177.00670	3.9
177.05450	4.6
181.10117	3.4
182.15401	3.5
183.11623	7.2
184.11247	3.9
185.13260	6.2
187.11241	4.4
187.14851	7.7
189.03934	3.5
189.12683	3.7
189.16518	3.2
191.17947	3.3
193.04961	10.7
197.13257	6.0
199.11046	3.1
199.14818	12.4
201.16380	81.7
203.14398	4.4
203.17967	14.8
209.04214	3.1
211.14922	5.1
213.03857	6.9
213.12779	4.2
213.16389	7.1
215.07083	3.0
217.15947	6.9
219.17429	28.7
223.14882	2.9
225.16399	5.4
229.15851	3.3
231.04964	9.5
231.17403	4.6
237.02846	8.1
243.17407	7.0
255.11282	4.7
256.11612	3.6
257.12335	5.2
259.09692	11.4
279.04010	6.2
285.18384	3.9
305.24631	4.2
309.18420	5.1
327.19559	5.1
431.20038	5.1
449.21338	12.6
449.26996	3.1
465.48245	3.4
467.21991	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	467.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	18.7
55.01870	16.2
55.05508	44.6
56.96550	9.0
57.03428	9.5
57.07066	6.0
57.57959	3.5
59.04984	3.2
61.02930	16.8
67.05503	45.1
68.99782	26.6
69.03426	68.4
69.07066	33.8
70.06582	9.1
71.04985	12.1
71.11404	9.2
72.54794	3.1
73.02923	7.1
74.43621	3.1
79.05492	41.5
81.03414	70.7
81.07058	92.0
83.01353	3.8
83.04979	46.8
83.08606	11.4
85.02907	77.2
85.06553	6.4
86.09695	5.1
87.00829	34.4
91.05484	46.7
93.07045	87.2
95.04962	31.7
95.08607	98.4
95.09232	4.9
97.02892	39.6
97.06542	19.7
97.10165	9.0
98.97602	12.1
99.04436	21.2
99.10455	3.0
103.03967	4.4
103.05489	3.8
105.01858	20.2
105.07027	100.0
107.04930	9.2
107.08590	98.7
109.02876	46.7
109.06496	18.4
109.10162	52.2
111.04435	10.7
111.08070	7.3
112.30663	2.9
115.03909	7.4
115.05388	3.4
116.98598	11.9
117.07017	17.4
119.08582	75.0
120.54875	3.2
121.06502	23.3
121.10145	78.1
123.04446	23.6
123.08060	15.1
123.11698	19.0
125.05970	3.7
125.09615	5.8
127.03913	67.4
127.07519	5.0
128.06142	4.9
129.01854	27.7
129.05406	3.3
129.06981	9.8
130.07797	4.9
131.08554	42.3
133.06447	6.0
133.10124	73.7
134.99673	7.0
135.08064	14.2
135.11667	48.3
137.05984	10.1
137.09642	9.9
137.13293	6.6
139.11082	4.0
142.07756	4.7
143.08568	23.9
144.09340	6.7
145.04974	13.1
145.10132	68.9
146.10825	6.0
147.02879	10.5
147.08014	9.4
147.11691	36.1
149.05957	4.4
149.09595	9.4
149.13255	14.8
151.07579	5.3
151.11180	6.7
155.08533	8.1
157.10176	23.1
159.02901	14.8
159.08084	6.9
159.11684	70.6
160.12175	4.7
161.09589	10.8
161.13243	55.4
163.07410	3.7
163.11221	16.7
163.14847	23.5
169.10164	10.7
170.10439	3.7
170.99725	6.8
171.11729	10.2
173.09644	5.8
173.13248	28.2
175.11182	11.1
175.14839	13.5
177.00650	7.9
177.12846	5.0
177.16376	4.5
179.07095	5.6
181.10187	5.3
183.11708	10.1
185.13226	8.9
187.11183	6.9
187.14842	11.4
189.00740	5.8
189.12819	6.6
189.16399	20.5
191.17966	43.0
196.77800	3.3
199.14847	14.7
201.12758	5.4
201.16386	69.0
203.14360	7.9
203.17955	6.2
205.15842	4.5
211.11273	7.0
211.14891	6.1
213.03963	4.3
213.12817	3.9
213.16446	9.0
215.18156	3.5
217.15871	17.6
219.01813	7.1
219.17464	42.0
223.14832	4.3
224.56717	3.8
225.12675	5.0
225.16409	4.7
227.14253	4.5
229.15909	3.5
231.04967	11.2
235.16916	5.1
237.02765	18.0
241.16043	4.7
243.17580	4.0
247.16998	5.1
255.17511	5.3
261.02792	6.9
261.18671	4.8
273.18570	3.9
279.03958	11.1
285.18411	3.7
303.87003	3.9
309.18494	6.4
321.05072	5.0
327.19592	7.6
345.20612	4.2
347.02768	4.0
363.21613	4.5
379.19287	3.1
389.03955	3.8
431.20541	6.9
449.21619	12.1
467.23352	20.8
467.29068	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	466.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79458	0.7
53.03951	2.1
55.01872	1.0
55.05514	1.9
56.96556	0.7
57.03435	4.5
57.07077	1.7
61.02924	0.9
61.41053	0.7
65.03950	0.7
65.31978	0.6
65.61059	0.7
67.05511	7.1
69.03433	15.6
69.07074	4.9
69.56291	0.7
69.63729	4.7
70.06596	3.1
77.18354	0.7
79.05490	10.6
79.17670	0.7
79.61941	0.7
81.03433	3.0
81.07059	100.0
83.04990	1.3
83.08612	0.9
84.08153	1.9
85.02907	15.3
85.03432	1.1
86.09736	1.3
87.00839	1.1
87.04479	11.0
91.05492	1.8
93.07043	3.4
95.04982	1.7
95.08608	18.2
97.02888	15.9
98.21472	1.6
98.97597	1.9
99.04469	1.0
105.01851	1.3
105.07034	2.1
107.04977	0.9
107.08595	1.6
109.02894	3.2
109.10177	3.2
111.04469	1.0
111.23194	0.9
115.03938	20.2
116.98646	2.1
117.07002	0.8
119.08595	2.0
123.04511	0.8
123.11737	0.9
127.03894	4.5
131.08565	0.8
133.04982	20.9
133.10178	1.9
134.99628	0.8
135.11702	1.2
137.13258	20.1
145.04953	2.7
145.10112	1.4
147.11673	0.8
150.07678	2.3
159.11676	1.1
163.03925	0.9
163.06152	0.9
177.00769	1.1
191.14418	0.7
199.02737	0.8
200.03877	0.8
201.16458	1.5
219.01854	3.1
237.02814	8.3
240.42296	0.8
243.95425	0.9
250.01637	0.8
255.03928	0.9
259.08188	1.6
261.02859	2.0
277.09155	1.6
279.03949	7.6
295.10263	1.3
315.04996	0.8
389.03864	1.5
423.30893	1.2
467.18661	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.05501	2.2
57.03438	6.6
57.07064	2.4
59.04991	0.8
60.04520	1.1
65.03909	0.8
67.05502	5.3
69.03429	21.7
69.07060	4.7
70.06593	1.3
70.75317	0.8
70.75641	1.7
71.52154	0.8
73.02935	1.2
79.05493	8.0
81.03436	2.0
81.07056	100.0
83.04993	1.2
85.02905	17.4
87.04468	16.4
91.05483	1.5
93.07056	2.3
95.04990	1.5
95.08611	22.9
97.02886	18.7
99.04469	1.2
103.03954	1.1
105.07039	1.6
107.04961	1.2
107.08620	2.0
109.02905	1.5
109.10172	1.9
110.31710	0.8
115.03934	29.0
115.04748	1.5
123.11643	0.8
127.03961	2.8
133.04968	34.4
133.10126	0.9
135.11644	1.1
137.13260	21.6
142.86006	0.8
145.05002	3.3
145.10110	0.9
147.17236	0.7
150.07603	4.7
159.11754	0.8
163.06064	1.3
169.05003	1.2
173.94975	0.7
178.78641	0.7
181.12285	1.3
199.05998	0.9
207.06589	2.3
219.01694	1.0
233.15422	0.8
237.02940	1.4
241.07106	1.4
253.67247	0.8
259.08206	1.7
269.17566	1.0
277.09311	1.4
279.03857	1.4
295.10336	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	20.9
55.01868	17.7
55.05510	23.2
57.03431	15.0
57.07084	7.7
57.60531	3.7
61.02918	15.0
65.03950	6.8
67.05507	53.1
68.99783	13.4
69.03432	82.9
69.07063	36.3
70.06591	22.8
70.91593	9.0
70.91936	4.8
71.04994	20.0
72.08149	5.7
73.02908	12.3
73.75018	3.7
79.05498	38.4
81.03420	66.9
81.07058	98.1
83.04976	19.5
83.08610	8.9
84.08160	12.3
85.02899	100.0
86.09707	11.1
87.00822	37.6
91.05479	49.6
93.07045	71.8
95.04961	27.2
95.08617	75.1
97.02905	38.7
97.06538	23.7
97.10152	9.9
99.04458	26.2
103.03924	5.4
105.01881	21.8
105.07032	94.8
105.07755	5.9
107.04950	12.4
107.08606	82.1
109.02877	53.7
109.06535	27.0
109.10144	45.1
111.04445	9.9
111.08072	6.4
115.03951	4.0
115.05444	7.8
117.01837	8.9
117.07032	26.4
119.08584	88.8
121.06506	12.1
121.10152	62.5
122.06038	14.7
123.04447	8.2
123.08070	15.1
123.11707	16.7
125.06064	5.5
125.09652	9.0
127.03934	70.4
128.06177	4.3
129.01823	12.1
129.06990	12.1
130.07774	5.8
131.08585	40.0
133.06517	4.7
133.10118	53.1
135.04382	5.0
135.08057	11.6
135.11702	15.9
136.07570	8.3
137.06017	20.7
137.09627	8.9
142.07854	4.1
143.08569	20.3
144.09346	6.0
145.04970	16.3
145.10120	89.2
147.02968	5.8
147.04353	4.6
147.08098	8.2
147.11668	35.2
149.09605	6.5
149.13277	17.2
151.11171	11.5
155.08517	8.2
157.10146	21.4
159.02921	26.3
159.08063	5.4
159.11700	74.3
161.09633	7.0
161.13249	73.6
163.03926	9.6
163.11188	8.2
163.14822	14.0
169.10152	5.6
171.11676	10.0
173.09578	9.1
173.13239	24.4
175.11153	8.6
175.14871	7.6
177.09085	6.1
179.03380	4.2
179.10655	6.4
181.10144	5.2
183.11594	7.2
185.13264	13.0
187.14851	9.8
189.12773	6.9
189.16386	13.1
191.17979	7.6
193.04970	11.7
197.13217	9.9
199.14850	18.8
201.12872	4.6
201.16379	91.7
203.10577	6.0
203.17981	19.5
207.02937	11.7
208.03682	20.2
209.04437	6.6
211.14856	5.7
215.07115	6.9
217.15887	24.3
219.01787	5.7
219.17447	41.1
225.16348	5.1
229.13617	4.8
229.15852	5.0
231.04948	8.1
231.17516	11.2
237.02946	7.0
243.17477	7.8
259.09689	15.6
279.03720	5.4
305.10101	6.2
309.18420	9.9
327.19702	10.4
431.20929	5.9
435.17227	6.1
449.21713	21.2
449.33655	5.4
467.22501	15.7
467.34805	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01869	0.7
55.05506	1.6
56.96572	1.1
57.03442	3.1
57.07080	0.9
59.05007	0.7
60.04515	0.6
61.02917	0.9
65.03933	0.5
67.05508	3.4
69.03067	0.9
69.03427	11.6
69.03806	0.6
69.07066	2.4
70.06600	1.8
71.04996	0.5
73.02908	1.5
79.05496	8.1
81.03429	1.2
81.07058	100.0
82.07404	0.6
83.08617	0.6
84.08131	0.6
85.02899	8.9
87.04469	6.8
91.05503	1.3
93.07041	1.9
95.04980	1.4
95.08601	11.5
97.02894	9.4
98.21616	0.7
98.97603	1.8
99.04536	0.5
103.05466	0.7
105.07043	1.3
107.04893	0.5
107.08601	1.3
109.02898	1.0
109.06562	0.9
109.10146	1.2
113.72171	0.4
115.03929	12.1
116.98639	1.1
119.08575	0.9
121.10184	0.8
123.04456	0.7
127.03917	2.6
133.04967	13.7
134.99722	0.9
137.06024	0.6
137.13255	20.4
145.04961	2.3
145.10167	0.7
146.99644	0.5
147.11694	0.6
150.07613	3.0
159.11702	0.7
163.05965	0.8
165.00635	0.5
177.00726	0.7
219.01839	1.5
237.02831	4.7
259.08078	0.8
261.02875	0.9
269.17560	1.0
279.03818	3.6
321.05161	0.9
331.09811	0.5
389.03961	0.8
432.73004	0.5
466.31625	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.5
55.01873	1.6
55.05509	2.1
56.96559	1.4
57.03434	3.9
60.04506	1.7
67.05501	4.9
69.03422	17.7
69.07042	2.7
70.06604	6.9
71.59034	1.6
73.02911	2.2
79.05495	8.2
81.03432	5.3
81.07054	100.0
82.07355	1.8
83.04948	1.6
84.08153	1.8
85.02895	20.5
86.09691	2.7
87.00840	2.6
87.04459	11.7
91.05475	3.7
93.07052	3.9
94.07360	1.4
95.04959	2.3
95.08607	11.3
97.02886	16.7
97.06490	1.5
98.97576	2.2
99.04462	2.7
105.01883	1.2
105.07027	5.0
107.04953	2.1
107.08593	4.8
109.02882	5.0
109.10146	2.9
111.04437	1.2
115.03916	24.2
117.06979	1.4
119.08552	5.4
121.10155	2.8
122.06049	1.6
123.11732	2.3
127.03901	6.7
129.10291	1.2
131.08562	3.3
133.04955	28.1
133.10101	2.7
135.11691	1.7
137.06013	2.0
137.13252	27.8
139.03828	1.1
143.08545	2.0
145.04918	6.0
145.10124	3.3
147.11662	3.5
148.12053	1.8
151.03770	1.1
157.09923	1.7
159.11758	1.6
163.06079	1.8
166.01903	1.3
166.13130	2.0
173.13130	1.2
183.13895	1.6
193.05037	1.5
199.14774	1.1
201.16420	2.0
209.13365	1.3
217.08195	1.7
218.08778	1.7
237.02829	2.7
259.08261	3.4
267.15906	1.4
279.03760	2.6
285.17191	1.2
286.17377	3.3
295.10287	6.5
380.13995	1.9
422.14960	7.0
466.14005	22.8
467.14185	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	465.173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80849	0.6
55.05504	0.7
55.88061	0.5
56.96526	0.6
57.03429	0.6
59.92172	0.5
63.03659	0.5
67.05489	1.3
69.03415	1.1
69.07034	0.5
69.87392	1.8
69.87802	1.3
70.06596	1.0
79.05499	0.9
81.03418	1.3
81.07059	2.6
83.04980	0.8
85.02903	1.3
87.04429	0.5
91.05475	1.3
93.07042	1.4
95.08588	2.0
97.02860	0.9
97.06539	0.5
97.36407	0.5
98.20789	0.5
105.06992	1.6
107.08607	1.1
109.10130	1.5
110.58649	0.5
110.79894	0.5
115.73521	0.5
117.07004	0.6
119.08562	1.1
125.05995	0.6
127.03883	0.6
133.10085	1.3
135.11699	0.7
136.06178	4.6
137.06601	1.0
145.10121	0.8
147.11667	0.8
151.03989	0.7
157.10179	0.6
159.11716	0.6
161.02927	0.7
163.04050	0.6
193.04942	14.3
194.05362	0.8
194.17247	0.6
217.11945	2.7
217.15926	0.6
227.05298	0.9
271.04276	3.1
289.05292	2.5
299.39462	0.5
303.05130	0.8
364.82504	0.5
379.17227	6.8
403.17310	1.7
421.18304	56.3
422.18582	2.3
453.79092	0.6
465.17300	100.0
466.17548	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	465.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.0
56.96563	2.6
67.05502	16.0
69.07068	7.0
76.41287	2.1
79.05496	10.0
81.03426	2.2
81.07057	24.4
81.52231	1.6
83.08627	5.0
84.04498	2.2
85.02918	1.8
85.06514	2.1
89.03925	7.5
91.05476	10.1
91.14039	2.0
93.07034	9.3
95.08588	14.8
97.06500	3.3
97.10188	3.4
98.21481	5.0
105.07041	7.5
107.08588	7.1
109.10175	6.1
110.22468	1.8
116.01300	1.9
117.03367	18.4
117.07018	3.9
119.08591	6.6
121.10143	4.3
131.08572	3.7
133.10126	7.0
134.03638	2.2
135.11659	6.4
139.11198	2.2
145.02843	45.7
149.06006	5.5
149.13275	4.0
153.91707	2.0
161.13278	3.7
167.28192	1.9
177.05467	100.0
179.14325	2.2
186.05435	3.1
195.06494	6.9
217.19572	2.9
235.20589	3.0
253.18065	4.6
303.04947	2.8
331.15729	2.2
349.16849	10.1
447.31628	2.6
465.32037	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	465.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91451	0.9
55.05499	4.5
56.59796	1.0
57.07076	69.3
67.05480	1.6
69.07062	10.0
69.92992	5.9
71.08630	63.6
73.06559	2.3
81.07052	2.6
83.08612	3.6
85.10183	39.0
87.04467	3.3
89.06031	100.0
92.58597	1.1
95.08591	1.6
97.10171	3.2
99.11728	7.9
107.07065	5.5
109.10168	1.3
111.11720	4.2
113.13306	4.6
117.09141	1.8
125.02363	1.8
125.13245	2.4
127.11149	1.1
127.14883	1.6
130.08649	3.8
133.08600	57.1
151.09776	1.1
177.11227	15.5
185.04298	1.2
195.12277	2.7
233.98155	1.1
239.14857	2.6
283.17514	10.2
303.05042	1.2
333.89908	1.1
465.37576	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.05499	0.7
55.93528	0.2
56.05024	0.3
56.96565	0.7
57.03416	0.4
67.05487	0.4
68.05029	0.3
69.03413	1.0
69.07056	0.3
69.71367	1.5
70.06586	1.1
72.08138	0.4
79.05484	3.8
80.05003	1.5
81.03406	0.9
81.05796	3.8
81.07050	2.1
82.06572	0.4
83.04978	0.5
83.06108	0.4
84.04500	0.5
84.08122	0.6
85.02906	2.3
86.09702	0.4
89.03884	0.3
91.05457	0.4
94.06573	0.7
95.04972	0.3
96.04469	0.4
96.08126	14.1
97.02871	0.9
97.06518	0.3
98.97590	0.3
102.05560	0.4
103.05401	0.3
106.06564	2.1
107.04942	0.4
116.07082	0.3
119.04969	0.4
120.08089	1.3
123.04446	0.3
124.07583	100.0
125.06004	1.4
125.07914	0.6
127.03874	0.6
135.04440	0.7
136.07561	0.3
142.08597	1.4
145.04945	0.5
147.04358	0.7
150.96823	0.3
154.99687	0.3
163.03900	2.2
176.10684	0.3
177.10312	0.3
189.00737	0.3
205.09743	0.3
216.11247	1.2
234.02097	0.4
234.12392	0.7
234.96858	0.3
242.08582	0.4
252.97882	0.6
268.11832	0.3
268.97247	0.3
273.54807	0.3
278.09027	0.3
286.12894	1.1
292.11871	0.4
303.05176	0.4
304.05307	2.5
362.97955	0.3
363.16660	1.0
405.13895	0.3
466.16333	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72177	0.1
53.03940	0.2
55.01882	0.2
55.05500	0.2
56.05032	0.2
57.03441	0.2
60.04514	0.2
65.03921	0.2
67.01836	0.2
67.05486	0.4
68.99794	0.7
69.03403	0.6
69.07061	0.3
69.67219	1.1
70.06584	1.8
70.27966	0.1
72.08143	0.6
74.02428	0.1
74.06087	0.2
79.05479	0.2
80.04939	0.2
81.03407	1.1
81.07030	0.3
84.04482	0.6
84.08136	0.7
85.02885	0.5
86.09697	0.9
91.05460	0.3
93.03396	0.5
93.07052	0.2
95.04967	0.5
97.02863	0.4
98.06044	0.1
98.97585	0.2
99.04369	0.1
100.11271	0.2
102.05513	0.3
105.07014	0.2
107.04926	0.2
109.02872	0.5
110.07178	0.4
111.00795	1.0
111.04453	0.2
116.07097	0.3
116.98563	0.2
120.08102	0.4
121.02860	1.1
123.04451	0.3
127.03898	0.5
129.10168	0.4
130.76408	0.2
135.04352	0.3
136.07591	0.2
137.01343	0.3
137.02336	3.8
137.03339	0.3
137.05957	0.2
145.02821	0.2
145.06490	0.2
147.04417	0.2
149.02310	0.5
153.01823	4.6
155.04816	0.2
161.05962	0.4
163.03912	0.6
165.01822	2.4
166.02637	0.2
173.05974	0.7
177.05411	0.3
179.03452	0.2
183.02873	0.8
183.04358	0.3
187.03917	0.4
189.29257	0.2
191.03342	0.2
195.02927	0.3
201.05467	2.2
203.10287	0.2
205.05016	0.4
211.03996	0.2
215.03122	0.2
219.06516	0.6
228.04085	0.3
229.04947	5.1
241.08597	0.4
245.04607	0.2
245.08046	0.2
247.06026	0.8
257.04446	3.3
273.03970	0.3
274.04605	1.2
285.03970	1.5
285.12247	0.4
302.04034	0.4
303.04971	100.0
304.05237	1.0
435.46332	0.2
465.10559	0.5
465.19379	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.103
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
55.01862	0.4
57.03411	0.4
58.67570	0.2
59.42228	0.2
61.02929	7.0
65.03927	0.3
68.99792	0.9
69.03426	1.2
70.06607	0.2
73.02916	2.0
75.23370	0.2
78.54050	0.2
81.03401	0.5
82.10892	0.2
85.02902	5.4
86.09705	0.2
91.03953	3.4
95.04978	0.3
97.02897	3.0
98.20718	0.5
99.04457	0.2
102.46410	0.3
109.02879	0.9
111.00803	0.9
115.03902	0.4
121.02864	1.2
123.04460	0.3
127.03917	0.9
135.04402	0.3
137.02333	3.9
145.04936	0.6
145.06491	0.2
146.99226	0.2
149.02335	0.5
153.01819	4.5
155.04919	0.3
161.06017	0.5
163.03934	0.9
165.01854	2.3
166.02565	0.3
166.48355	0.2
173.05963	0.7
183.02881	1.0
187.03876	0.7
201.05450	2.0
205.04959	0.4
207.45099	0.2
219.06570	0.3
221.45760	0.2
228.03989	0.3
229.04953	5.2
247.06046	0.7
257.04468	2.7
274.04800	0.9
285.03870	1.3
303.04987	100.0
304.05392	1.5
345.06024	0.4
369.06238	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1029
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03938	0.1
55.01865	0.2
61.02918	0.1
65.03927	0.2
67.01850	0.1
67.05491	0.2
68.99786	0.8
69.03416	0.3
70.06594	0.4
71.58635	0.1
71.59076	0.1
72.08148	0.2
80.64410	0.1
81.03420	0.6
82.06514	0.1
83.04958	0.1
83.08607	0.1
83.69560	0.1
84.04509	0.1
84.08129	0.2
85.02884	0.3
86.09705	0.2
91.03958	0.1
93.03393	0.4
95.04974	0.6
95.49133	0.1
97.02885	0.2
100.03922	0.1
105.07017	0.1
107.01292	0.1
107.04951	0.1
109.02888	0.6
110.07135	0.1
111.00804	1.4
111.04439	0.1
117.03447	0.1
117.07031	0.1
120.75014	0.1
121.02869	1.4
123.04449	0.3
126.03122	0.1
127.03961	0.4
129.10246	0.1
131.04926	0.2
133.02809	0.1
133.06529	0.1
135.04454	0.3
136.07527	0.1
137.02344	4.7
137.03336	0.2
145.02809	0.2
145.06502	0.2
147.04398	0.1
149.02350	0.6
153.01830	5.4
155.04944	0.4
155.06004	0.1
157.06474	0.1
159.04427	0.1
161.05992	0.5
163.03923	1.0
165.01842	2.5
166.02605	0.4
167.07036	0.1
171.02930	0.1
173.05984	0.6
177.01921	0.1
177.05452	0.2
178.13434	0.1
179.03374	0.2
183.02882	1.0
183.04408	0.4
185.05919	0.1
187.03957	0.4
191.03452	0.2
191.07007	0.1
193.04950	0.1
193.12250	0.1
194.12621	0.1
195.02892	0.4
201.05466	2.7
205.04959	0.3
207.02942	0.2
211.03989	0.1
213.05440	0.2
215.03409	0.1
219.02913	0.2
219.06572	0.4
228.04179	0.3
229.04965	6.6
233.04536	0.1
239.03430	0.2
243.02779	0.1
243.10318	0.1
245.04539	0.1
246.05258	0.1
247.06020	0.9
257.04456	3.9
258.05060	0.1
267.15851	0.1
268.16193	0.1
274.04749	1.2
275.05496	0.2
285.03964	1.6
285.12299	0.1
285.16913	0.1
286.17297	0.1
302.04074	0.1
303.04990	100.0
304.05338	1.1
315.04904	0.3
327.04703	0.1
345.05887	0.2
386.87369	0.1
465.10260	0.8
465.19470	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.2
55.01867	0.3
56.05024	0.2
57.03438	0.7
61.02926	6.7
67.01859	0.1
67.05492	0.2
68.99789	0.8
69.03430	1.5
69.07037	0.1
69.53770	0.2
69.54185	0.7
70.06581	0.4
71.04996	0.2
72.08152	0.5
73.02921	1.6
74.06066	0.1
81.03419	0.8
81.07049	0.2
84.04501	0.5
84.08129	0.3
85.02903	5.8
86.09701	0.9
91.03951	3.5
91.05467	0.3
93.03400	0.3
93.07011	0.2
95.04964	0.4
97.02893	3.1
99.04436	0.2
101.02335	0.2
102.05527	0.3
103.05476	0.2
105.07045	0.2
107.04944	0.2
107.08593	0.3
109.02886	0.7
110.07139	0.2
111.00815	1.1
111.04465	0.1
115.03922	0.3
120.08109	2.1
121.02885	1.1
123.04403	0.3
127.03940	1.1
133.04939	0.1
135.04416	0.3
136.07599	0.1
137.02339	4.0
137.03374	0.2
141.06506	0.1
145.04947	0.7
145.06453	0.2
145.49480	0.1
149.01184	0.1
149.02335	0.5
149.06049	0.1
150.17828	0.1
153.01822	4.7
155.04936	0.4
157.06496	0.1
159.07759	0.1
161.05977	0.4
163.03944	0.9
165.01830	2.4
166.02631	0.2
173.05975	0.6
177.05602	0.2
178.94397	0.1
179.03433	0.2
181.08505	0.1
183.02885	1.0
183.04439	0.3
187.03868	0.5
187.07114	0.2
188.01529	0.1
191.03508	0.2
195.02910	0.2
200.04662	0.1
201.05447	2.2
205.04941	0.3
205.09692	0.3
207.02951	0.2
213.05533	0.2
217.04985	0.1
219.02919	0.2
219.06522	0.3
228.04219	0.2
229.04951	5.4
233.04494	0.1
239.03429	0.2
243.13524	0.2
245.04391	0.1
247.05997	0.8
257.04437	3.3
274.04736	1.0
275.05383	0.3
281.73145	0.1
285.03949	1.6
302.04477	0.2
303.04984	100.0
304.05295	0.9
315.04907	1.0
327.04742	0.3
339.05038	0.1
341.06686	0.3
345.06027	0.8
355.08102	0.1
369.06039	0.4
381.06238	0.1
383.08029	0.1
429.07950	0.2
433.44305	0.1
447.08801	0.2
465.10156	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3415
Annotation	Stoloniferone T
Peak:m/z	Relative Intensity
53.03955	5.5
55.01847	4.3
55.05496	14.2
61.65458	3.6
67.05504	28.6
69.07070	22.1
69.71487	23.0
73.62326	3.3
79.05514	19.5
79.05887	4.0
81.03432	4.7
81.07060	23.1
83.01346	8.0
83.08617	9.5
91.05463	21.0
93.01251	4.0
93.07024	16.7
95.08621	18.9
97.10187	5.1
105.07026	19.7
107.08578	9.4
109.10170	5.8
117.07024	8.9
119.08552	13.9
127.45058	4.1
129.07018	5.1
131.08560	19.1
133.10139	7.3
135.04439	5.0
137.53307	3.9
143.08578	4.8
145.10130	8.4
155.08586	4.3
171.11748	4.6
181.04944	14.1
181.10179	4.6
195.06477	14.2
199.06009	40.8
209.08052	6.4
222.14015	3.6
223.09671	6.9
237.11208	5.5
251.12680	5.2
343.26303	4.8
353.24649	12.1
371.25912	7.5
389.26892	14.7
445.33252	11.7
463.34521	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.8
55.01870	3.6
55.05505	5.5
56.05019	6.8
56.96552	5.2
57.03426	20.7
59.05000	3.7
61.02919	6.4
65.03947	3.5
67.05502	6.1
69.03429	70.3
70.06593	28.0
71.59222	5.7
72.08145	10.4
73.02897	9.9
77.04016	3.1
79.05486	3.8
81.03425	9.0
81.07076	4.2
84.04508	7.5
84.08135	15.4
85.02422	4.6
85.02903	57.2
86.09697	20.9
87.04462	56.8
88.04005	5.9
91.05435	8.7
93.07030	3.5
95.04962	4.4
97.02892	73.9
98.97573	5.5
99.04480	5.5
104.05293	4.0
105.06996	6.1
107.04917	3.9
107.40457	3.7
109.02894	4.9
110.07155	9.2
115.03933	89.6
120.08063	8.6
121.02872	45.1
127.03911	5.8
129.10234	10.2
133.04962	100.0
133.10095	4.3
136.07590	6.3
145.04951	8.5
153.01801	5.9
153.05461	75.0
163.03851	3.6
164.06995	3.7
169.04988	4.3
193.05054	4.3
216.10324	3.4
223.05989	3.5
229.04922	6.0
237.02760	3.4
285.12628	3.6
302.19458	4.5
303.04993	74.4
362.81284	3.5
426.20346	3.3
464.15381	7.0
464.21683	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	463.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.6
55.01865	5.4
55.05511	33.6
55.53359	1.9
56.96564	3.1
57.03437	11.8
65.03931	4.0
67.05503	80.4
68.93403	2.1
69.03425	2.5
69.07061	30.5
70.20721	10.7
70.48515	2.0
71.04987	7.6
76.26373	2.7
77.33412	2.1
79.05494	69.1
81.03400	11.2
81.07054	85.6
83.04967	5.6
83.08620	13.9
85.06537	5.3
91.05479	100.0
93.06466	4.0
93.07041	62.9
95.04956	16.4
95.08607	58.3
95.09220	2.6
97.06520	8.7
97.10167	7.9
103.05436	5.4
105.07027	89.3
107.04946	7.7
107.08585	27.1
109.06508	12.3
109.10146	17.4
110.67788	2.3
111.08093	6.4
115.05483	4.7
117.07011	40.3
119.08581	48.7
121.06474	10.3
121.10136	23.2
123.08054	6.5
123.11695	2.3
125.09653	3.3
128.06203	7.0
129.06989	23.7
131.08566	62.6
133.06458	5.3
133.10139	31.2
135.08069	3.3
135.11685	10.0
137.09604	5.1
137.13295	2.8
141.06892	10.7
143.08566	22.7
145.06441	4.8
145.10104	33.9
147.08034	9.7
147.11679	10.6
149.09627	5.7
149.13248	5.7
151.11183	3.1
155.08559	14.0
157.10126	19.1
159.08057	3.6
159.11703	22.8
161.09641	5.3
161.13281	8.2
167.07181	3.8
167.08568	6.4
169.10094	11.2
171.11708	15.4
173.13248	7.2
175.11063	5.3
181.10129	7.3
183.11662	11.4
185.09698	2.6
185.13248	7.4
187.11206	3.9
187.14806	5.6
193.12276	5.6
195.11711	7.8
195.13831	2.3
197.13280	7.6
199.14824	4.6
201.12769	3.7
209.13251	6.5
211.14877	5.1
213.12730	2.9
215.14169	3.7
223.14833	4.4
233.15334	5.1
235.16916	2.8
237.16499	3.2
241.15808	3.8
245.15440	2.7
247.16928	2.9
255.17293	3.0
259.16928	3.2
261.18481	6.6
267.16159	2.5
271.16931	2.3
273.18539	5.6
294.70212	2.5
325.25177	11.4
335.23672	8.6
343.26483	15.6
343.30359	2.9
353.24762	41.4
371.25784	47.6
389.26816	50.4
427.28726	2.9
445.29373	32.3
463.30563	51.2
474.93265	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	464.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83688	0.4
53.03955	0.5
55.05507	0.5
56.96555	0.4
57.03424	0.4
60.04522	0.5
61.02913	0.4
65.03949	0.8
67.05504	13.7
69.03423	1.7
70.06587	1.5
70.72089	1.3
70.72459	0.7
71.37902	0.5
72.08161	0.6
79.05460	0.4
81.03409	1.0
83.04942	0.5
84.08123	0.5
85.02914	3.1
85.03347	0.5
86.09701	0.9
94.06567	16.4
95.04990	1.0
97.02898	1.3
98.97590	0.6
99.04454	0.5
101.17174	0.5
105.03359	0.6
107.20584	0.4
109.02828	0.6
112.07632	0.9
120.08132	0.6
122.06031	100.0
123.04401	1.1
124.07603	1.0
127.03908	0.7
129.10233	0.8
135.04459	0.8
136.07605	0.7
137.05989	0.7
140.07074	1.6
145.04967	1.1
163.03937	2.8
181.08627	0.4
218.11528	0.4
284.11304	1.3
303.05121	1.8
405.14355	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.3
55.01870	6.5
55.05515	31.0
57.03428	10.2
57.07072	3.5
58.54873	2.3
65.03934	5.7
67.05505	91.2
69.03425	4.1
69.07066	33.4
70.16564	4.9
70.16919	9.9
71.04981	6.7
76.37771	2.8
79.05492	65.4
79.14832	2.3
81.03413	3.8
81.07056	82.0
83.04980	6.8
83.08629	16.8
85.02899	4.8
85.06525	5.0
91.05480	93.0
93.07040	71.4
95.04975	20.3
95.08598	51.6
97.06536	9.8
97.10177	8.6
103.05479	5.9
105.07027	100.0
107.04915	11.4
107.08591	34.8
109.06503	9.9
109.10150	19.4
111.08041	4.4
112.02164	2.4
115.05450	5.1
117.07019	45.0
119.04958	2.5
119.08579	62.2
121.06485	11.4
121.10142	24.5
123.08048	8.1
123.11681	5.0
125.09676	5.2
128.06157	4.3
129.07018	28.0
131.08562	69.3
133.06456	4.7
133.10130	31.5
135.08051	6.8
135.11694	8.7
137.09610	4.0
139.11194	3.7
141.06992	8.4
143.08580	24.8
145.06450	5.2
145.10106	33.3
147.08040	6.9
147.11707	7.2
149.09627	5.1
149.13312	5.4
155.08537	10.0
157.10126	18.8
159.08136	3.5
159.11691	23.4
161.09653	3.7
161.13277	6.6
163.11185	3.3
167.08569	4.9
169.10085	12.5
171.08156	3.6
171.11703	12.8
173.13316	7.0
175.11197	5.0
177.12590	3.2
181.10164	6.7
183.11720	7.0
185.09688	2.6
185.13243	9.3
187.14819	3.9
195.11703	7.0
195.13953	2.5
197.13261	9.4
199.14764	5.3
209.13283	7.7
211.14821	4.8
213.16609	2.5
215.14342	3.4
219.58221	2.3
225.16376	4.4
229.15872	3.5
231.17465	3.1
233.15375	4.8
237.16646	3.3
239.57458	2.6
241.15868	3.0
245.15324	2.9
247.16953	8.8
255.17383	4.6
259.16907	4.2
261.18530	6.4
273.18457	6.9
287.19897	3.0
325.25314	12.7
335.23743	13.4
343.26254	14.5
353.24756	40.9
371.25778	55.4
389.26849	73.6
427.28433	5.0
445.29489	25.2
463.30618	72.8
463.96628	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	463.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	3.3
52.33124	2.0
53.03936	6.8
55.01872	6.4
55.05511	34.1
57.03435	11.9
57.07071	3.4
59.04976	2.7
61.02916	2.5
65.03949	4.4
66.40987	2.3
67.05502	73.0
69.07070	36.5
69.85082	4.7
69.85501	9.0
71.04987	7.8
77.03906	3.8
79.05489	70.0
81.03423	7.1
81.07053	84.3
83.04977	6.9
83.08611	12.7
85.06529	5.2
91.05476	100.0
91.94744	2.3
93.07044	71.6
95.04967	14.0
95.08600	60.7
97.06516	13.2
97.10172	6.7
98.20745	4.4
99.08091	4.4
103.05470	3.9
105.07024	98.6
107.04926	11.7
107.08586	32.2
107.69677	2.1
109.06493	11.6
109.10147	17.1
111.08075	5.4
115.05445	3.9
117.07012	50.3
119.08579	58.9
121.06470	14.2
121.10133	30.0
123.08044	7.0
123.11729	3.8
125.09618	4.2
128.06226	9.1
129.07005	34.9
129.81633	2.3
131.08560	74.2
133.06483	5.7
133.10112	36.3
135.08015	10.6
135.11707	11.2
137.09644	4.7
141.07016	13.5
142.07770	2.7
143.08557	30.3
145.06483	6.1
145.10120	41.1
147.08022	12.6
147.11682	11.9
149.09598	8.2
149.13156	3.7
155.08562	16.4
157.10143	19.7
159.08022	3.5
159.11687	16.9
161.09619	5.4
161.13232	6.7
163.11229	4.1
167.08511	4.4
169.10109	15.1
171.08017	3.0
171.11674	21.0
173.13303	11.9
175.11201	5.5
175.14771	4.5
181.10129	8.5
183.11700	9.5
185.09683	2.5
185.13290	11.3
187.11076	2.7
187.14874	6.5
189.12782	4.4
191.14278	3.0
193.10226	2.4
193.12312	2.8
195.11732	7.9
197.13245	11.8
199.11180	3.0
199.14859	4.3
201.12770	4.5
201.16359	3.7
209.13353	5.2
211.14841	7.3
213.12828	4.6
213.16380	3.6
215.14288	2.8
223.14761	6.1
225.16420	5.1
227.14378	4.8
229.15883	2.9
233.15445	5.3
237.16504	3.9
241.15814	3.8
245.15460	4.1
247.17017	3.4
255.17477	5.3
259.17059	4.5
261.18619	4.8
269.19223	3.3
273.18570	5.3
280.85114	2.4
325.25180	11.8
325.85852	2.6
335.23590	15.2
343.26352	23.9
353.24744	69.3
371.25769	74.4
383.72723	2.4
389.26819	70.5
405.13980	3.0
417.29715	3.2
427.28503	8.6
445.29523	89.5
463.30527	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
53.94389	1.9
55.01865	6.2
55.05508	29.9
57.03435	11.8
57.07057	3.3
65.03926	4.3
67.05502	76.3
67.06248	2.3
69.07065	28.2
69.56743	8.2
69.57172	9.0
71.04977	6.3
79.05489	58.3
80.75925	2.1
81.03372	2.9
81.06569	4.8
81.07050	74.6
83.04969	5.4
83.08610	10.2
85.02898	2.8
85.06527	5.0
91.05476	88.3
93.06465	4.5
93.07040	66.8
95.04961	14.3
95.08603	41.9
97.06528	8.0
97.10136	5.7
99.08057	2.5
103.05447	3.1
105.07023	78.7
107.04937	7.2
107.08588	29.0
109.06500	10.3
109.10151	13.2
111.08074	4.9
115.05418	3.4
116.06216	4.6
116.67901	2.4
117.07012	33.9
119.04992	2.8
119.08575	48.4
121.06536	11.4
121.10139	19.8
123.08067	5.7
123.11707	3.9
128.06218	5.3
129.07002	21.4
130.07713	2.7
131.08560	64.2
133.06439	4.9
133.10141	29.3
135.08075	5.1
135.11682	9.3
137.09566	3.0
139.02100	2.2
141.06987	9.7
142.07748	3.1
143.08539	24.6
145.06490	3.1
145.10121	35.2
147.08044	5.8
147.11670	9.7
149.09627	7.4
149.13220	9.1
153.33711	2.2
155.08513	14.4
157.08995	2.8
157.10139	16.9
159.08058	4.9
159.11690	15.2
161.09648	5.3
161.13263	4.8
163.11153	2.8
167.08525	4.8
169.10158	10.8
171.08043	2.7
171.11702	12.8
173.13246	4.9
175.11188	3.2
181.10107	7.2
183.11739	7.2
185.09680	2.8
185.13205	6.3
187.11220	3.9
187.14836	6.5
195.11786	3.2
197.13266	6.9
199.14735	4.1
201.12729	2.7
209.13240	6.7
211.14813	5.9
213.12802	2.1
215.14302	2.6
217.15726	2.9
223.14723	2.7
225.16422	4.4
227.14273	4.1
233.15300	3.4
247.16924	4.2
259.16934	5.2
273.18451	3.9
275.20166	2.6
287.19757	2.9
287.92114	2.4
307.24356	3.1
325.25314	8.8
335.23563	12.2
343.26260	16.9
353.24686	38.9
371.25766	57.2
389.26810	52.9
396.89490	2.3
427.28305	7.7
431.18738	2.4
445.23346	4.9
445.29492	100.0
463.30563	48.9
481.74112	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	10.3
55.01851	9.1
55.05510	26.6
56.45580	2.7
57.03432	13.6
57.07060	5.0
65.03921	5.8
67.05500	97.6
69.07064	30.3
69.77638	17.2
71.04978	6.2
79.05056	5.3
79.05488	75.2
81.03403	3.7
81.06573	5.3
81.07050	100.0
81.41957	2.6
83.04996	5.2
83.08607	20.4
85.06529	5.5
91.05478	98.9
93.07040	80.1
95.04977	15.1
95.08609	54.5
97.02866	3.2
97.06511	12.9
97.10139	6.1
99.08076	3.9
103.05446	3.8
105.07023	80.2
107.04941	11.6
107.08589	36.7
109.06509	8.5
109.10162	14.6
111.08083	4.1
115.05427	3.4
117.07020	33.5
119.05932	2.7
119.08569	53.5
121.06503	7.8
121.10131	26.7
123.08057	6.3
123.11713	2.7
125.09622	3.3
128.06198	5.0
129.06996	27.1
131.08560	65.4
133.06473	3.5
133.10135	31.3
135.08047	7.4
135.11681	10.2
137.09581	3.7
141.07002	10.2
143.08543	21.0
145.06508	3.3
145.10117	38.0
147.08026	7.1
147.11642	9.1
149.09615	6.3
149.13264	13.2
153.07014	3.5
154.46889	2.6
155.08543	11.8
157.10109	12.9
159.11667	20.0
161.09666	6.9
161.13200	5.8
163.11159	5.2
163.14838	3.2
163.87758	2.6
167.08501	4.4
169.10129	13.6
171.11700	10.9
173.13255	8.2
175.11276	3.2
177.12729	3.6
181.10060	7.6
183.11659	10.2
185.13202	8.0
187.11130	2.7
187.14828	9.6
195.11705	7.5
195.13811	5.6
197.13252	8.3
199.14830	9.3
209.13239	9.0
211.14842	7.7
213.12914	3.1
221.39108	2.7
223.14864	3.2
233.15376	7.6
237.16316	3.6
247.16878	7.5
259.16821	5.9
261.18588	3.9
273.18448	3.3
275.20233	3.6
325.25204	10.7
335.23599	9.4
343.26321	22.4
345.01566	3.5
349.16888	9.3
353.24780	35.9
371.25806	55.0
389.26834	73.8
405.19595	2.9
427.28543	5.0
429.95856	3.5
445.29541	25.1
463.30533	84.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.3
55.01855	8.5
55.05511	36.7
57.03438	13.4
65.03951	4.3
65.27966	2.4
67.05500	100.0
69.03416	3.6
69.07068	28.2
70.91589	6.7
70.91934	2.7
71.04984	5.8
75.01020	2.7
79.05488	80.4
81.03403	5.0
81.07053	96.7
81.90131	2.7
83.04968	5.9
83.08627	18.2
85.06528	3.9
91.05477	100.0
93.07040	82.6
95.04953	21.7
95.08603	55.5
97.06517	9.6
97.10149	5.5
99.08077	4.0
103.05454	6.9
105.07024	97.3
107.04957	13.3
107.08592	38.9
109.06490	12.0
109.10158	19.5
111.08073	7.8
115.05428	8.2
117.07014	52.2
119.04885	2.9
119.08571	58.0
121.06494	11.7
121.10127	28.6
123.08048	5.1
125.09583	3.8
128.06226	6.1
129.07011	30.5
131.08560	64.1
133.06508	5.7
133.10109	35.6
135.08032	7.8
135.11676	13.1
139.11160	3.2
141.07010	11.2
142.07796	5.1
143.08569	28.5
145.10121	48.7
147.08069	7.1
147.11665	13.5
149.09621	7.6
149.13242	8.3
155.08545	15.3
157.10149	24.5
159.11681	23.6
161.09637	5.9
161.13235	6.8
163.11224	5.6
167.08521	6.5
169.10110	13.6
171.11606	14.1
173.09659	4.7
173.13235	9.4
175.11192	3.3
177.12741	9.5
181.10078	9.4
183.11685	11.6
185.13231	7.8
187.11208	5.9
187.14824	3.9
195.13751	3.3
197.13245	9.6
199.14775	6.8
201.12822	4.2
209.13287	6.1
211.14825	7.7
213.12775	3.2
219.13744	4.7
223.14780	4.1
225.27548	2.9
227.14398	3.9
233.15392	4.6
247.16945	7.3
249.18588	3.0
253.15765	2.8
259.16873	9.4
261.18405	4.0
273.18396	6.5
312.45700	2.8
325.25183	10.5
335.23636	11.7
343.26285	23.3
353.24759	48.4
371.25760	62.7
389.26868	58.8
427.28375	5.5
445.29578	39.9
463.25128	3.7
463.30630	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52054	1.8
52.73164	1.9
53.03943	7.8
55.01868	7.3
55.05257	2.7
55.05512	31.7
56.96555	3.0
57.03448	10.7
57.07073	4.4
61.02912	3.2
62.05093	1.9
65.03951	3.4
67.05505	81.2
67.05868	4.0
67.23365	2.0
69.03407	2.8
69.07066	29.3
69.56019	9.9
69.56439	5.7
71.04984	7.1
79.05054	4.4
79.05495	63.4
81.03426	5.0
81.07056	77.6
83.04977	6.0
83.08626	14.2
85.02920	2.3
91.05480	85.1
93.07047	63.7
95.04436	2.0
95.04957	13.1
95.08041	4.0
95.08605	47.2
97.02886	2.9
97.06512	6.1
97.10172	5.9
103.05494	5.4
103.95749	2.1
105.07030	74.3
107.04957	7.6
107.08598	30.8
109.06530	8.0
109.10170	15.1
111.08095	3.6
113.54124	2.4
115.05459	3.1
115.38406	1.9
117.07021	36.2
118.19543	1.9
119.08581	46.1
121.06528	8.3
121.10150	20.8
123.08079	4.3
123.11751	3.5
125.09656	3.4
127.03899	2.4
128.06227	4.1
129.07005	32.6
131.08572	66.1
133.06512	6.0
133.10138	33.1
135.08058	7.5
135.11720	10.0
137.09653	3.5
141.07014	9.5
142.07748	2.8
143.08569	24.6
145.06526	7.5
145.10123	37.5
147.08064	6.0
147.11694	10.8
149.09631	6.3
149.13292	4.8
155.08521	10.7
156.81631	2.3
157.10127	16.8
159.08104	3.7
159.11710	14.6
161.09628	4.9
161.13231	2.9
167.08627	4.3
169.10172	11.8
171.11688	13.8
173.13272	7.8
175.11177	2.8
175.14714	2.1
177.05598	2.4
179.12856	2.6
181.10162	5.1
183.11780	8.1
185.13287	9.7
187.11086	2.8
187.14766	3.4
195.11688	5.4
195.13766	2.7
197.13261	9.3
199.14723	2.4
201.16333	3.2
205.27312	2.5
209.13326	6.3
211.14810	6.3
213.12843	2.9
215.14276	3.3
221.13405	3.6
223.14822	4.5
225.16411	3.2
233.15573	2.3
235.17009	2.5
241.15903	3.9
243.17570	2.7
247.16975	5.2
255.17499	3.0
259.16974	6.3
261.18564	4.6
267.09079	2.5
269.12622	2.3
273.18463	3.8
285.18521	2.1
287.20255	2.8
324.11511	3.4
325.25229	10.4
335.23447	10.0
343.26337	21.1
353.24692	41.0
361.27499	3.9
371.25809	60.3
389.26889	56.9
427.28467	7.8
445.29465	100.0
446.29886	3.5
463.30609	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.305
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.20076	4.3
55.01869	6.2
55.05518	29.4
56.96560	8.8
57.03418	8.5
59.44399	4.7
59.74921	4.3
59.96493	4.2
66.18189	4.3
67.05499	69.1
69.03430	4.7
69.07079	22.3
69.26874	17.1
69.27299	36.5
71.05000	5.4
79.05503	45.6
81.03419	9.6
81.07047	67.9
83.08613	18.6
85.06530	5.6
91.05470	63.5
93.07044	55.8
95.04977	13.4
95.08597	46.5
97.02898	10.6
97.06541	7.6
105.07021	57.9
107.08566	24.7
109.06530	7.3
109.10143	13.5
117.07045	26.2
119.08582	38.5
121.06474	9.7
121.10139	20.2
129.06984	18.5
131.08560	49.4
133.03563	4.5
133.10185	23.4
135.08044	7.0
135.11685	10.4
141.06966	7.7
143.08542	20.2
145.10138	31.2
147.08035	6.3
147.11674	10.2
149.13225	6.3
155.08542	7.6
157.10155	25.2
159.11708	16.9
161.13232	11.9
169.10120	12.7
169.26277	4.6
171.11653	12.0
173.13260	6.3
181.10138	8.7
183.11729	9.5
185.09680	6.6
185.13168	6.2
195.11714	6.7
273.18304	4.8
317.17770	6.1
335.23703	10.6
343.26221	15.2
353.24646	37.6
356.14645	6.5
371.25644	40.9
389.26947	40.7
445.29462	74.5
463.30466	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3052
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03933	5.6
55.05512	27.2
56.96555	6.0
57.03418	13.6
57.07062	5.7
57.09693	4.7
65.03934	4.6
67.05505	66.0
67.05839	9.5
69.03437	5.4
69.07059	24.9
69.56603	35.2
73.02942	4.8
79.05508	47.1
80.96820	4.2
81.03400	6.8
81.07055	62.7
83.04967	4.1
83.08605	11.4
85.02909	7.7
89.05998	10.7
90.66019	4.1
91.03939	5.1
91.04964	6.2
91.05482	77.8
92.09466	4.8
92.10148	4.6
93.07044	53.8
95.04960	6.7
95.08617	34.8
97.02915	5.7
97.06509	7.2
97.10184	10.8
98.20718	6.1
105.07031	69.9
107.08585	27.3
109.06509	9.2
109.10133	13.0
115.05422	6.1
117.07024	27.1
118.30018	4.1
119.08595	35.4
121.10146	21.6
125.09583	5.4
127.03795	7.2
129.06973	16.6
131.08562	49.0
133.08549	6.9
133.10127	26.2
135.08092	6.2
135.11696	8.2
141.06999	8.4
142.07813	4.5
143.08563	17.3
145.10136	37.9
147.08017	6.3
147.11659	7.6
155.08551	12.0
157.10120	14.3
159.11678	20.0
169.10164	10.1
171.11714	9.0
173.13336	7.9
175.11148	6.3
181.10025	4.6
185.13326	8.7
195.11624	8.4
197.41808	4.5
199.14799	7.3
206.02879	4.4
209.13245	6.9
211.34584	4.8
215.17311	5.2
232.17090	5.1
241.12791	5.2
242.09450	4.7
248.17731	5.1
285.10281	5.3
285.15479	8.2
287.20047	4.9
325.25156	8.6
335.23712	9.8
343.26224	13.5
347.40210	6.4
353.24750	36.5
371.25742	42.7
389.26764	51.7
445.29480	95.9
463.30322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.6
55.05512	27.2
56.96555	6.0
57.03418	13.6
57.07062	5.7
57.09693	4.7
65.03934	4.6
67.05505	66.0
67.05839	9.5
69.03437	5.4
69.07059	24.9
69.56603	35.2
73.02942	4.8
79.05508	47.1
80.96820	4.2
81.03400	6.8
81.07055	62.7
83.04967	4.1
83.08605	11.4
85.02909	7.7
89.05998	10.7
90.66019	4.1
91.03939	5.1
91.04964	6.2
91.05482	77.8
92.09466	4.8
92.10148	4.6
93.07044	53.8
95.04960	6.7
95.08617	34.8
97.02915	5.7
97.06509	7.2
97.10184	10.8
98.20718	6.1
105.07031	69.9
107.08585	27.3
109.06509	9.2
109.10133	13.0
115.05422	6.1
117.07024	27.1
118.30018	4.1
119.08595	35.4
121.10146	21.6
125.09583	5.4
127.03795	7.2
129.06973	16.6
131.08562	49.0
133.08549	6.9
133.10127	26.2
135.08092	6.2
135.11696	8.2
141.06999	8.4
142.07813	4.5
143.08563	17.3
145.10136	37.9
147.08017	6.3
147.11659	7.6
155.08551	12.0
157.10120	14.3
159.11678	20.0
169.10164	10.1
171.11714	9.0
173.13336	7.9
175.11148	6.3
181.10025	4.6
185.13326	8.7
195.11624	8.4
197.41808	4.5
199.14799	7.3
206.02879	4.4
209.13245	6.9
211.34584	4.8
215.17311	5.2
232.17090	5.1
241.12791	5.2
242.09450	4.7
248.17731	5.1
285.10281	5.3
285.15479	8.2
287.20047	4.9
325.25156	8.6
335.23712	9.8
343.26224	13.5
347.40210	6.4
353.24750	36.5
371.25742	42.7
389.26764	51.7
445.29480	95.9
463.30322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.3
53.04155	1.7
55.01877	13.1
55.05513	7.5
56.96566	3.8
57.03436	9.2
57.07069	5.6
59.04998	4.7
59.59548	1.5
61.02919	7.1
62.90812	1.7
65.03951	2.5
67.05503	12.6
68.99805	4.0
69.03072	2.8
69.03435	41.7
69.06713	2.7
69.07069	32.8
69.49975	13.1
70.06600	4.2
71.04980	10.1
72.08158	2.6
73.02936	9.3
79.05478	7.3
81.03417	48.2
81.07062	15.5
83.01347	2.1
83.04985	3.4
83.08623	3.8
84.08152	2.8
85.02907	100.0
86.09697	1.9
87.00830	36.4
87.04474	4.0
89.06041	3.0
91.03954	3.3
91.05467	8.7
93.07038	9.7
95.04969	3.8
95.08602	8.0
97.02894	36.2
97.06544	3.0
97.10165	4.8
98.97599	3.1
99.04449	16.9
105.01866	35.4
105.07042	8.3
107.04946	4.5
107.08598	9.4
109.02883	39.3
109.06517	2.9
109.10161	21.7
111.04441	1.9
111.11721	26.1
115.03922	1.7
116.98600	3.2
117.01847	5.5
117.07021	3.1
119.08581	4.3
121.06494	2.9
121.10168	4.1
123.11668	2.4
125.06001	2.0
127.03920	72.8
127.11192	28.5
129.01846	3.7
129.10269	1.7
129.12759	4.6
131.08582	3.9
133.10143	3.0
134.99623	1.4
135.11684	2.8
137.05983	3.0
137.13228	1.7
145.04950	26.9
145.10147	4.6
147.02856	4.2
147.08099	1.7
147.11676	2.3
149.09654	2.5
149.13396	2.1
151.07544	2.3
153.09157	1.8
157.10129	3.8
159.02896	17.7
159.11674	3.0
161.09625	1.6
167.07092	4.2
181.04895	2.1
185.13210	1.6
186.77876	1.8
189.03963	2.0
190.38948	1.6
191.07089	1.9
203.14314	1.7
213.03882	2.3
215.16420	19.2
231.04999	17.2
237.02820	3.2
255.11349	4.6
267.01642	1.6
269.17529	2.7
301.11996	2.3
322.26477	1.9
329.50256	2.0
394.99673	4.0
419.16809	5.4
427.28329	2.5
463.15836	6.2
463.26572	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	4.8
69.03426	14.7
71.10085	6.0
81.03422	8.8
82.72480	2.1
95.52934	2.1
99.04443	8.8
112.02470	6.3
119.01917	4.5
122.05991	3.1
130.03505	26.0
131.01924	4.9
139.03514	5.4
140.00232	2.5
142.01813	3.9
146.01225	3.3
148.04570	4.9
154.14192	2.2
154.51111	2.8
156.01398	20.3
157.03336	5.7
157.04587	77.0
160.02899	2.4
168.01294	4.8
173.02339	2.9
174.02481	47.2
175.05637	46.3
175.07040	3.7
181.03102	3.5
181.04547	16.9
186.02487	23.1
191.06642	7.0
192.03540	15.5
194.02974	6.5
198.98561	13.1
199.05676	27.7
203.03482	3.6
203.05205	9.5
204.03508	5.7
207.06097	12.2
209.07719	5.2
211.05672	4.6
212.03999	18.8
215.98878	2.8
216.99612	5.9
219.06216	3.3
221.06279	2.9
225.07225	6.8
227.05135	17.6
230.05087	5.4
235.05630	6.8
237.07181	68.7
244.73325	2.4
245.06198	39.4
253.06705	20.3
255.08296	6.9
257.06119	6.9
263.05145	3.2
265.06741	7.0
268.07755	3.1
283.08066	21.5
301.01678	4.8
301.09195	40.4
319.08118	3.5
325.08832	100.0
326.08997	3.0
337.08792	8.4
343.09946	63.3
355.09668	3.2
373.10944	8.2
463.14099	17.6
488.05005	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	462.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	20.5
54.25982	9.2
55.05507	14.8
67.05499	24.3
69.03426	50.3
69.07076	9.9
70.06575	35.4
70.14580	53.1
71.05003	16.6
72.08157	26.1
79.05489	21.8
81.03410	51.3
81.07053	48.1
83.05022	11.2
84.08140	41.8
85.02908	87.6
86.03245	16.5
86.09702	31.8
87.00835	42.2
89.78171	9.8
91.05487	29.5
93.07041	94.7
95.04936	11.5
95.08601	47.8
97.02905	40.1
98.20787	10.0
99.04474	34.9
101.45731	10.8
104.66051	10.5
105.01830	24.1
105.07031	33.7
107.08587	70.8
109.02883	55.4
111.08061	12.0
117.06989	13.6
118.18307	9.8
119.08555	28.6
121.06532	12.5
121.10124	13.9
123.11682	14.9
127.03922	100.0
128.04283	21.6
133.10155	35.2
135.11679	41.4
137.05917	12.0
138.09135	11.5
145.05002	13.5
151.03880	12.1
159.02971	20.2
161.09628	15.1
177.12932	9.7
178.12241	20.9
179.10696	16.2
189.04025	14.0
196.13361	38.6
196.16968	33.6
197.11980	11.6
214.14395	89.8
240.51657	10.6
301.07086	14.8
444.22437	16.3
462.23788	24.6
462.31152	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	462.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	24.9
55.05497	28.6
57.03425	12.9
58.06576	7.8
58.18233	7.7
59.04987	7.4
67.05505	24.3
69.03432	57.3
69.07028	11.8
70.06591	36.2
71.04987	11.5
71.59998	9.0
72.08125	10.5
73.02899	12.9
79.05491	23.1
81.03416	63.3
81.07055	56.9
82.03715	10.6
82.07410	8.0
83.04974	18.8
84.04501	13.2
84.08133	19.4
85.02905	100.0
86.09684	15.9
87.00822	29.6
88.03934	7.6
91.05485	40.5
93.07044	82.4
95.04980	21.2
95.08572	47.1
97.02880	32.2
99.04450	22.0
100.11270	52.1
103.03855	10.7
105.01854	26.1
105.07006	34.6
107.04959	71.7
107.08595	81.0
107.09315	11.4
109.02872	36.7
109.06556	10.1
109.10162	11.2
110.06043	12.5
110.40197	8.5
111.04459	10.4
111.08073	17.8
117.07011	8.2
119.08567	15.5
121.10180	16.7
123.08009	10.7
123.11684	12.5
126.31895	8.9
127.03919	93.3
128.04257	18.5
129.10275	10.3
133.02852	11.5
133.06512	11.1
133.10094	37.0
135.11696	62.7
138.09146	9.7
140.04269	9.1
145.04948	24.4
145.06523	8.2
151.11171	9.5
159.02902	10.0
161.09679	9.4
167.07024	11.9
178.12250	15.1
181.04922	11.2
182.15303	18.7
183.83620	10.8
195.06464	24.3
196.13376	35.9
208.07303	29.3
208.13310	9.0
210.14911	17.6
214.14420	80.0
214.18727	11.1
226.08307	13.0
231.04912	12.0
282.17084	11.3
301.06976	11.7
301.10632	18.8
306.32166	9.9
337.21091	9.2
389.81351	16.6
408.20392	8.5
444.22324	15.1
453.34851	17.9
462.23920	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	462.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.05511	1.7
56.05033	2.7
57.03426	8.8
59.04984	2.7
59.89880	1.5
60.04523	22.2
61.02908	2.3
65.03925	1.6
65.80056	1.3
69.03073	2.7
69.03425	37.5
69.07058	2.4
70.06592	19.7
71.05003	1.9
71.58872	2.7
72.08146	8.6
73.02917	2.4
75.04076	1.6
75.04467	3.1
76.07640	2.0
79.05473	5.9
81.03385	3.7
81.07048	4.8
83.04984	1.9
84.04504	3.6
84.08121	5.8
85.02903	28.2
86.06110	1.8
86.09706	12.5
87.04463	21.3
87.10014	1.8
91.05473	30.7
92.05788	3.7
94.06579	3.1
95.04942	3.7
97.02880	27.2
98.97620	2.0
102.05542	2.4
104.05325	2.1
105.07027	7.4
106.06554	5.0
107.04953	45.1
107.08574	2.2
109.06496	7.0
110.07131	5.3
111.04428	2.8
115.03914	24.8
115.05374	1.9
116.07095	2.2
117.05708	3.9
120.08105	35.5
121.06520	1.8
122.09661	3.7
124.07558	1.6
127.03878	4.7
129.10226	3.5
131.04912	2.6
132.08086	60.0
133.04964	21.8
133.06482	16.4
133.08372	2.0
134.09639	2.4
137.06003	1.9
145.04947	2.5
145.06448	2.0
146.06044	1.9
149.05998	2.9
150.09129	100.0
168.10207	11.1
179.41179	1.6
195.07744	2.5
233.48619	1.7
243.11119	1.6
252.09523	1.6
261.09790	9.0
261.60129	2.9
262.10681	3.5
264.12433	1.7
275.54788	1.8
282.12927	2.3
300.11447	1.7
312.14404	14.8
321.07260	1.9
330.15436	6.9
393.06244	2.1
421.05371	6.8
462.13187	1.8
462.19922	10.9
463.10266	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28601	2.7
53.03940	4.2
55.01866	10.5
55.05505	40.2
57.03443	16.5
61.02914	3.4
65.03939	5.0
67.05170	4.3
67.05503	70.2
68.05869	3.1
69.03421	4.6
69.07063	28.2
69.30155	34.4
71.04978	8.1
79.05492	68.2
81.03410	8.1
81.07053	77.7
83.04979	8.0
83.08607	20.8
85.02888	5.1
85.06522	6.7
91.05479	100.0
93.07040	69.8
95.04963	16.5
95.08602	48.5
97.06503	8.3
97.10141	11.6
98.20690	6.6
98.97548	2.8
103.05470	7.2
105.04501	3.1
105.07025	65.7
107.04960	23.2
107.08604	29.4
109.06521	13.4
109.10156	18.0
111.08066	5.8
115.05461	7.6
117.07013	46.9
119.04975	4.6
119.08579	34.6
121.06490	16.9
121.10114	16.1
123.04430	3.5
123.08062	8.7
123.11695	6.2
125.09592	9.8
128.06229	11.9
129.06995	46.9
131.08562	64.1
133.06506	19.6
133.10109	27.5
135.08046	10.8
135.11676	7.5
137.05998	3.7
137.09628	5.1
141.06987	14.7
142.07776	11.2
143.08563	49.6
145.06509	20.1
145.10109	32.4
147.08011	16.6
147.11647	7.5
149.09637	7.0
151.07579	3.9
154.07651	3.7
155.08560	28.9
157.06532	5.6
157.10112	29.9
159.08029	8.1
159.11703	12.0
161.09616	10.0
163.11151	3.2
167.07130	5.0
167.08553	10.1
168.09335	3.8
169.10101	24.8
171.08057	6.2
171.11710	23.7
173.09576	5.6
173.13268	6.9
175.09639	4.4
175.11145	6.5
179.08580	5.7
181.10141	15.5
183.11697	14.3
185.09662	4.4
185.13240	12.7
187.14865	5.7
189.11084	4.1
193.09996	4.5
195.11723	10.9
197.09634	5.0
197.13304	8.8
199.11200	4.4
199.14842	6.4
201.12726	3.5
209.13277	9.4
211.11319	6.6
211.14886	6.5
213.12735	9.1
215.14430	4.9
217.15854	5.2
221.13194	7.4
223.14894	6.2
225.12688	5.2
227.14391	3.4
235.14835	8.6
239.14256	6.4
241.15848	4.4
245.15395	4.9
253.15868	5.3
255.17409	3.4
257.15359	7.0
259.16937	5.8
271.16888	8.0
275.16235	3.3
323.23743	9.9
333.22128	11.0
341.24625	15.9
351.23169	46.7
352.23267	4.6
359.25861	5.6
360.44556	3.2
369.24213	99.0
370.24710	4.6
387.25290	51.7
425.26730	6.5
443.27847	88.8
444.28311	4.9
461.29007	75.8
461.38589	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.5
54.44000	1.9
55.01859	9.9
55.05264	1.8
55.05510	25.7
57.03425	17.0
57.07065	5.9
59.66615	1.5
65.03922	3.3
67.05501	56.6
69.03419	12.2
69.07056	19.9
70.04642	9.1
70.31095	1.5
71.04968	6.9
71.05331	1.6
79.05489	43.3
81.03407	28.8
81.07050	55.9
82.36709	1.4
83.04988	9.6
83.08633	10.2
85.02901	5.2
85.06527	2.5
87.04492	1.9
91.05472	41.0
93.07036	44.2
95.01332	11.5
95.04964	20.9
95.08604	41.1
97.02892	19.4
97.06522	6.0
97.10151	5.4
99.04432	3.7
99.08121	2.3
103.03931	5.2
103.05431	2.0
105.07024	37.5
105.07683	3.4
107.04954	7.2
107.08578	22.9
109.02863	6.8
109.06510	9.9
109.10138	17.9
111.04431	7.5
111.08053	2.3
115.05444	4.3
117.07011	26.5
119.04910	2.1
119.08583	26.8
121.06509	8.1
121.10127	17.8
123.03649	1.8
123.04426	7.7
123.08038	4.9
123.11690	5.9
125.09610	4.1
127.03900	3.8
128.06194	9.4
129.05475	2.9
129.07001	24.0
130.07774	3.2
131.08545	35.9
133.06467	9.2
133.10123	20.9
135.04420	2.0
135.08040	5.9
135.11679	10.6
137.05971	4.7
137.09584	2.9
141.06969	7.6
142.07791	5.8
143.08568	25.6
144.09334	2.1
145.06471	10.6
145.10112	27.6
147.08090	8.4
147.11673	15.3
149.05968	3.6
149.09589	5.2
149.13232	5.2
151.07515	3.6
151.11188	2.1
153.06990	1.7
154.07751	2.2
155.08546	14.7
157.06493	5.7
157.10132	16.9
158.07323	2.1
159.08098	9.9
159.11703	18.9
161.05965	7.0
161.09622	6.8
161.13203	8.8
163.07509	2.7
163.11224	1.7
165.07025	2.8
166.07715	2.0
167.08559	5.8
169.06367	1.9
169.10112	15.0
171.06778	2.0
171.07983	8.5
171.11682	16.8
173.09619	6.1
173.13228	14.1
175.07520	6.0
175.11130	4.4
175.14824	3.6
177.09036	2.7
177.12782	2.2
179.08568	2.7
181.10097	7.2
183.06554	2.9
183.08047	3.5
183.11650	10.6
185.09589	7.5
185.13237	9.5
187.11179	6.6
187.14844	6.0
189.09142	4.2
189.12811	3.3
191.10687	2.6
192.09262	2.3
195.11716	5.8
197.09657	5.6
197.13257	9.1
199.11154	6.9
199.14809	6.5
201.09180	4.2
201.12749	4.7
203.10657	3.9
207.11810	2.1
209.13301	4.2
211.11182	5.8
211.14816	5.5
213.12743	7.1
213.16319	4.1
215.10710	3.0
215.14374	2.7
217.12254	3.3
221.13239	3.1
223.14880	2.7
225.12708	6.4
227.14265	3.9
229.12201	2.5
229.15869	2.2
231.08659	1.8
231.13815	2.9
231.21185	1.9
235.14774	3.2
239.14381	3.0
241.19447	4.3
245.15404	2.4
259.20566	7.6
261.22067	2.3
269.15149	1.8
271.20572	2.4
273.22095	3.5
285.22098	3.9
289.21509	2.2
297.22153	3.3
299.23434	2.5
309.22079	3.3
313.21417	2.1
315.23218	4.2
323.23663	5.7
327.23163	10.2
333.21814	2.4
335.25790	11.4
341.24802	12.0
345.24246	2.5
351.23166	15.4
357.24243	2.9
359.25717	2.4
369.24216	48.4
387.25238	11.2
415.28174	2.3
425.26932	4.3
433.29559	2.3
443.27905	61.3
444.28488	2.5
461.28937	100.0
462.29385	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	461.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97204	2.6
53.03951	6.4
55.01877	12.3
55.05513	28.2
57.03434	18.9
57.07061	5.3
65.03928	3.9
67.05170	3.6
67.05505	61.3
69.03428	17.2
69.07072	25.2
71.01365	3.3
71.04983	5.9
79.05489	46.9
81.03414	29.4
81.07056	57.1
83.04969	8.9
83.08610	9.3
85.06535	4.9
91.05479	54.5
93.07037	53.0
95.01322	11.3
95.04954	23.5
95.08602	38.7
97.02877	20.9
97.06533	7.8
97.10169	3.4
98.21497	6.4
99.04440	6.1
103.03925	4.8
105.07028	51.7
107.04953	7.7
107.08598	26.3
109.02868	8.1
109.06527	5.4
109.10155	15.2
111.04420	7.4
111.08064	3.4
115.05431	7.7
117.07018	30.1
119.08571	36.2
121.06483	7.5
121.10122	18.1
123.04427	7.5
123.08110	5.2
123.11697	2.9
125.09595	3.1
127.03899	2.9
128.06197	8.0
129.05450	2.4
129.06996	24.0
130.07750	3.1
130.42310	2.2
131.08559	38.4
133.06525	12.8
133.10127	24.4
135.04449	4.6
135.08041	6.8
135.11691	15.6
137.09641	3.9
141.06996	6.6
142.07832	5.7
143.08559	24.5
145.06497	10.8
145.10124	22.9
147.08060	10.6
147.11687	15.2
149.05946	2.7
149.09627	5.9
149.13274	8.2
153.06934	2.6
155.08594	12.7
157.06467	5.0
157.10124	16.9
159.08075	9.7
159.11691	20.1
161.05943	6.9
161.09647	6.1
161.13284	10.0
163.11255	3.4
163.14827	3.4
165.06984	3.9
165.09204	3.1
167.08574	4.5
169.06505	4.2
169.10153	15.4
171.08060	8.7
171.11697	20.1
173.09659	9.0
173.13237	13.0
173.87709	2.6
175.07532	8.3
181.10144	9.0
183.08104	4.6
183.11711	9.4
184.08943	3.7
185.09644	9.6
185.13293	11.5
187.11209	7.1
187.14842	6.2
189.09073	3.3
189.12817	3.0
189.42641	2.6
193.12308	2.9
195.11705	5.3
197.09666	5.0
197.13214	10.7
199.14833	8.7
201.09201	3.5
201.12758	3.8
209.13275	4.9
211.14777	3.9
213.12740	6.3
213.16299	3.3
215.14288	2.4
217.12274	3.2
217.15935	3.3
223.14780	3.4
225.12810	4.8
227.14311	6.6
229.53288	3.4
239.14357	5.0
245.15482	2.8
259.20645	6.2
276.16562	2.6
283.20859	2.8
285.18823	2.7
285.22195	3.2
297.22165	4.6
299.20297	2.9
299.23755	3.3
315.23016	3.5
327.23160	8.0
335.25833	14.6
341.24792	12.3
351.19379	3.6
351.23062	19.4
369.24332	43.9
387.25330	14.4
415.28531	2.9
424.26410	3.1
425.26724	3.9
443.27957	53.1
444.28549	3.2
461.28928	100.0
462.29166	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	461.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.0
55.01859	9.9
55.05505	41.3
57.03433	8.1
59.05031	2.5
59.57526	2.5
60.08649	2.8
63.94474	2.3
65.03925	3.7
67.05500	78.9
69.07063	27.3
70.11903	13.3
71.04989	6.1
79.05490	62.7
81.07057	68.9
83.04977	6.3
83.08614	23.7
85.06554	5.6
91.05474	100.0
93.07037	60.4
95.04983	14.4
95.08598	49.4
97.06516	9.0
97.10154	8.8
103.05479	7.3
105.04474	3.6
105.06381	5.2
105.07028	70.0
106.07430	2.8
107.04974	15.1
107.08574	28.4
109.06504	6.7
109.10155	22.6
111.08081	4.5
115.05441	8.7
117.07011	58.4
119.04962	5.7
119.08569	38.2
121.06474	12.6
121.10143	16.5
123.08029	4.4
124.40412	2.8
125.09611	7.7
126.63736	2.6
127.44151	3.0
128.06212	13.9
129.07001	69.2
131.08563	67.9
133.06485	11.3
133.10132	24.7
135.08054	8.6
135.11707	8.8
137.09573	4.3
139.11180	4.2
141.06982	27.7
142.07747	7.5
143.08563	52.6
144.09267	2.7
145.06479	17.9
145.10103	37.1
147.08038	10.3
147.11661	9.7
149.09644	5.1
153.06970	4.3
154.07750	3.9
155.08540	36.8
157.06509	5.1
157.10110	32.8
159.08034	12.0
159.11713	16.4
161.09659	7.4
161.13167	4.1
163.11195	5.7
165.07092	3.8
165.12712	3.4
166.07846	3.4
167.08571	15.2
168.09370	4.0
168.55194	3.3
169.10130	26.4
171.08125	4.0
171.11687	18.4
173.13300	5.9
175.11188	4.0
177.12781	4.7
178.07747	3.2
179.08589	7.9
180.09386	4.4
181.10114	19.5
183.11671	18.9
185.09514	5.8
185.13199	13.3
187.11185	5.9
187.14828	6.3
193.10146	8.5
195.11690	17.8
197.13219	10.5
199.11142	4.0
199.14879	7.7
201.12741	4.4
205.10017	3.7
207.11697	9.8
207.13640	3.1
209.13271	11.5
211.14795	8.1
213.12729	3.5
215.14308	12.1
221.13319	14.3
223.14810	11.9
225.12717	6.5
225.16393	4.4
227.14455	4.0
229.14212	4.2
231.13754	3.8
235.14886	8.6
239.14276	9.0
241.15973	4.5
243.13600	3.3
245.15416	3.2
253.15855	3.7
257.15421	7.7
267.17471	3.6
271.16904	9.0
288.79562	2.9
289.17850	3.4
323.23645	12.1
333.22153	17.3
341.24619	14.9
351.19202	4.8
351.23230	64.1
351.27396	3.4
358.63947	3.1
369.24197	59.0
387.25281	23.6
425.26962	6.7
433.29388	3.8
443.27908	71.6
461.29016	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38267	1.5
53.03952	12.1
53.56538	1.7
55.01868	15.4
55.05270	1.4
55.05510	23.0
57.03436	10.9
57.07062	6.5
59.04995	3.1
61.02915	6.3
65.03936	1.5
67.05515	11.4
68.99778	5.9
69.03425	62.9
69.07061	41.7
70.06597	3.7
71.05004	8.7
71.08646	1.7
73.02911	11.3
79.05485	7.5
81.03416	49.1
81.07051	29.1
83.04973	12.8
83.08604	8.0
84.08117	3.0
85.02900	100.0
85.06544	16.6
86.09731	8.3
87.00823	35.6
91.03944	2.2
91.05465	6.8
93.07039	14.2
95.04980	3.3
95.08602	37.4
97.02895	32.9
97.06540	10.1
97.10176	10.6
98.97565	1.9
99.04443	21.3
99.08094	31.1
100.11252	2.5
103.03920	2.0
105.01858	26.2
105.07034	5.8
107.08588	22.7
109.02872	54.7
109.06495	3.2
109.10161	19.3
111.08051	4.4
111.11703	5.9
113.09639	10.5
113.64353	1.7
115.03943	1.5
117.01846	5.9
117.07001	1.8
119.08556	3.5
120.08112	2.0
121.10136	28.0
122.07959	1.8
123.04435	1.8
123.08105	2.4
123.11710	7.9
125.09595	8.9
127.03912	94.9
127.11185	2.0
129.01825	6.8
129.10201	2.2
131.08511	2.3
133.10132	5.6
135.11679	15.2
137.05951	5.8
137.13254	17.5
139.11177	9.8
145.04956	30.3
145.10118	3.0
147.02893	4.7
149.09660	2.6
149.13226	3.1
151.14816	4.6
153.12764	20.7
159.02884	31.4
163.03871	2.0
167.07018	1.9
177.16364	58.2
177.17805	3.4
181.84218	1.7
182.15376	2.7
189.03934	2.1
190.57112	1.6
195.17424	61.9
213.03978	5.8
213.16446	2.2
213.18484	47.1
217.08649	1.7
231.04985	13.3
249.06015	3.3
259.19992	1.6
299.09000	8.5
358.82208	2.1
450.49893	1.6
461.24164	5.8
484.53510	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94723	2.4
55.05503	8.4
66.56701	2.4
67.05477	2.7
69.03419	5.6
69.07047	11.8
69.74039	18.7
71.04998	3.3
74.19411	2.9
79.05481	4.9
81.07043	14.2
83.08608	7.4
85.02881	11.8
85.06496	2.7
85.63493	2.8
87.00800	6.9
93.07027	9.6
95.08616	21.0
97.10181	5.9
98.21413	5.1
99.08086	20.3
105.01865	7.8
107.08588	25.8
109.10123	9.2
111.08057	7.6
113.09605	4.3
121.10137	51.3
125.09592	6.5
127.03913	6.7
135.11694	8.8
137.13245	7.0
149.02319	4.1
149.13315	3.3
159.02733	3.0
177.16368	100.0
178.61136	3.1
195.17451	24.7
213.18492	40.0
217.93793	2.7
459.81494	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	461.199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	0.5
55.01801	0.7
55.05447	0.5
67.01549	0.5
67.05399	1.4
69.03320	1.4
69.06989	1.0
70.06497	0.9
71.04904	0.4
79.05412	0.9
81.03298	1.3
81.03768	0.5
81.06956	2.0
83.04903	0.5
83.08564	0.4
84.08084	0.5
85.02776	1.9
86.09627	0.6
90.31694	0.5
91.05363	1.3
93.06924	1.5
95.04863	0.4
95.08478	2.1
97.02818	0.7
99.04343	0.8
99.07409	0.5
100.11171	0.6
105.06893	1.6
107.04900	0.6
107.08461	1.3
109.02759	1.4
109.06387	0.6
109.10025	1.2
117.06906	0.5
119.08474	0.7
120.07996	0.5
121.10025	0.9
123.11644	0.6
127.03770	1.9
133.10052	0.8
135.11571	0.7
137.05896	0.7
145.10013	0.6
147.07999	0.5
149.09515	0.5
151.07448	0.6
153.08856	0.5
165.08971	1.4
166.09332	0.4
167.06955	0.5
169.04628	0.7
185.04178	0.7
195.13438	0.5
195.17322	0.5
199.14713	0.5
213.12607	0.6
213.14598	10.5
241.14082	7.8
243.16960	0.4
255.15656	0.7
299.09131	2.4
341.19247	0.8
357.18982	2.2
372.00635	0.4
375.19894	25.4
417.20886	57.8
461.14944	4.2
461.19907	100.0
462.20206	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98378	1.3
53.03952	2.3
55.01864	2.1
55.05500	3.8
56.96566	2.6
59.89499	1.3
60.12197	1.3
67.05502	7.1
69.03434	7.6
69.07061	6.4
69.44233	13.5
70.06585	3.8
71.04998	2.4
72.08142	1.7
79.05501	6.5
81.03428	7.0
81.07066	10.5
83.04989	2.9
83.08656	2.9
85.02900	9.3
85.06543	2.7
86.09679	2.7
89.81325	1.4
91.05474	5.5
93.07048	7.5
95.08611	9.3
97.02899	4.5
97.06525	2.8
97.10102	1.7
98.12758	1.3
99.04437	2.3
100.75597	1.3
105.01910	1.7
105.07021	6.9
107.08604	6.3
109.02872	4.8
109.06512	2.1
109.10160	9.1
110.07207	1.6
111.08099	1.4
115.05443	1.9
117.07015	1.5
119.08587	6.4
120.08060	1.5
121.10130	5.3
123.08035	2.4
123.11716	2.9
125.09653	2.2
127.03905	8.6
131.08611	2.2
133.10159	3.2
135.11734	2.8
137.06001	4.3
137.09618	3.2
145.10152	2.6
147.11639	2.5
149.09636	2.6
151.07535	5.2
153.08954	1.4
157.10078	2.6
159.02872	1.7
159.11702	1.9
161.09584	1.5
161.99921	1.4
163.11150	2.1
165.09126	7.5
167.07101	2.0
177.09111	3.3
177.16304	1.6
181.05049	1.8
191.10774	1.9
195.17493	3.3
213.14642	11.2
213.18544	1.7
223.14763	1.5
231.05054	1.6
241.14081	10.1
299.09198	6.6
339.47055	1.5
357.19089	4.0
369.20477	1.5
375.19919	24.4
417.20941	86.2
422.87735	1.5
443.28027	2.4
461.20001	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59850	2.3
68.89925	2.0
70.04383	10.7
88.41582	2.0
98.21462	2.8
118.08627	2.8
146.01273	3.6
173.02356	5.4
183.01660	20.1
184.00104	8.5
219.02765	6.1
243.41449	2.3
299.05972	20.8
316.07925	100.0
346.05139	3.4
443.10638	14.7
461.11636	97.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.0
53.70078	0.6
54.30362	0.7
55.01873	6.1
55.05509	3.3
57.03437	5.9
57.07062	0.6
57.21753	0.6
61.02928	3.3
61.28655	0.5
67.05495	6.6
67.06996	0.6
68.99785	8.8
69.03427	35.9
69.07056	2.2
70.23959	1.8
70.24361	0.9
71.00992	0.6
71.01334	3.3
71.04985	8.0
71.84924	0.7
73.02898	3.1
79.05470	3.8
81.03413	52.7
81.07059	4.8
82.03710	0.7
83.01336	1.7
83.04981	5.8
83.08614	1.0
85.02901	66.6
87.00823	13.4
91.05477	5.0
93.07052	2.3
95.04955	3.2
95.08601	2.6
97.02885	15.8
97.10197	0.8
99.04452	19.2
101.02381	1.2
103.03940	3.0
105.01855	4.8
105.03381	0.7
105.07024	3.8
107.04960	1.5
107.08575	1.8
109.02877	41.9
109.06512	0.8
109.10140	1.6
111.00797	1.9
111.04430	4.7
111.08051	0.8
113.02361	1.8
115.03931	1.4
115.05391	1.2
117.01882	0.7
117.07034	2.2
119.08588	1.9
121.02853	1.0
121.06503	0.9
121.10152	1.6
123.04423	2.6
125.02335	2.4
127.03912	100.0
128.04294	0.7
129.01845	4.4
129.07021	1.8
131.08592	3.1
133.06476	0.8
135.04416	0.7
135.11681	1.4
136.95409	1.1
137.02335	0.7
137.05980	1.4
137.09592	0.8
139.03870	1.7
143.08524	1.9
145.04956	5.8
145.06548	0.6
145.10098	2.0
147.02904	2.1
149.02339	1.0
149.09592	1.1
151.03915	2.9
151.07599	0.7
151.94038	1.1
152.04233	0.7
153.01851	1.5
154.96478	0.9
155.03438	1.2
155.08502	1.1
157.04909	0.7
157.10097	1.0
159.02861	0.8
159.08025	0.7
161.05930	1.0
163.03909	1.3
165.05392	1.0
165.09071	1.3
167.03462	0.8
169.04967	1.6
169.10101	0.6
171.02908	7.0
171.11780	0.8
173.04480	2.0
175.03951	0.7
177.05432	0.9
178.96506	2.8
183.11671	1.0
185.13289	0.8
187.06033	2.8
189.03944	10.0
189.05478	1.8
193.04993	2.0
194.15436	0.8
195.02974	1.2
197.04532	0.7
207.06496	0.7
213.03947	14.0
213.05942	0.9
217.05014	1.0
222.95557	0.8
231.04980	5.4
235.06006	2.2
246.95532	0.7
253.06946	1.5
255.05069	1.3
264.08710	0.6
264.96478	1.5
271.08002	0.6
273.06247	1.0
278.85193	0.7
282.97665	1.1
296.16003	0.7
317.31635	0.6
339.07080	2.7
351.23300	1.3
357.08084	1.3
369.24252	2.5
375.09293	1.4
387.25290	1.9
407.78967	0.6
443.08054	2.9
443.27747	1.5
461.09207	5.2
461.28806	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.8
55.01877	8.3
55.05505	1.7
57.03432	6.7
57.19586	0.9
58.82454	0.9
59.03202	1.0
60.04522	1.3
61.02924	6.0
62.33212	0.9
65.03922	1.1
66.99191	1.2
67.05487	2.3
67.93099	1.1
68.99796	3.5
69.03429	35.4
69.07079	6.5
69.36082	0.9
70.06595	2.2
71.05001	4.1
73.02910	5.2
79.05488	1.2
81.03414	32.0
81.07073	2.2
83.04961	1.5
84.04472	1.1
84.08105	1.1
85.02901	100.0
85.06538	1.4
86.73166	1.2
87.00828	34.1
91.03960	1.2
91.05484	2.6
92.03600	1.1
93.07051	2.8
95.04958	3.4
95.08598	2.3
97.02892	27.1
99.04446	14.8
101.02368	1.0
103.03957	1.3
104.23649	1.0
105.01865	45.9
105.07026	2.1
107.08607	2.6
108.04494	1.8
109.02874	32.3
109.10140	1.3
115.03880	1.2
117.01827	2.8
117.07033	1.6
117.91676	1.2
119.08597	1.0
121.06501	85.0
121.10192	1.5
126.05495	1.3
127.03914	65.9
129.01854	4.9
131.08560	1.2
135.08049	11.2
145.04971	26.7
145.06471	5.4
147.02936	1.7
147.06836	1.3
151.07530	2.1
159.02881	15.5
159.08057	2.5
161.09622	1.0
163.07442	1.6
167.07074	2.5
171.02893	1.7
171.08104	1.1
175.07568	4.7
175.11165	1.5
177.03926	1.2
177.12749	52.7
189.03954	4.5
195.13824	3.4
199.07555	3.8
201.12703	10.6
208.38747	1.1
211.07687	1.1
213.03934	3.0
214.48610	1.0
218.11449	1.0
219.13864	3.4
229.30515	1.3
231.05002	19.7
239.14209	1.2
243.13794	2.5
249.06079	2.1
261.14944	3.3
267.13779	3.3
285.14813	11.1
299.09457	1.4
303.15967	4.6
344.15363	1.1
355.59558	1.1
373.52048	1.2
389.16202	1.4
416.24026	5.3
460.27121	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	460.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.8
69.71396	5.3
70.06597	1.4
71.04988	3.3
72.08153	71.4
85.02891	1.7
88.46540	1.2
100.07607	9.7
118.08651	100.0
120.19208	1.1
122.76147	1.0
127.03939	2.0
131.06787	1.1
163.03822	1.2
240.78391	1.5
299.05612	1.2
443.33398	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	12.9
55.01863	14.8
55.05503	9.8
56.54031	2.9
57.03419	13.2
61.02914	7.7
61.06783	2.8
63.77301	2.8
65.03925	3.2
67.05502	6.9
68.99783	9.0
69.03428	43.4
69.07041	3.4
69.57478	23.9
71.04983	12.7
73.02918	23.4
73.64422	2.9
79.05502	32.0
79.18855	2.9
81.03408	57.2
81.07063	11.8
83.04961	11.5
85.02903	100.0
87.00826	30.9
87.04453	6.8
91.05466	32.1
93.07036	20.4
95.05008	4.6
95.08591	18.9
97.02886	36.7
97.06554	4.0
98.21474	5.6
99.04449	24.8
101.05986	8.5
103.03940	5.4
105.01852	26.1
105.07015	30.7
107.08596	83.6
109.02876	43.3
109.04441	3.4
109.06483	5.3
111.04420	4.0
117.07021	16.9
119.08569	11.0
121.10130	5.9
123.04404	2.9
123.11647	3.4
125.02308	3.4
127.03911	89.1
129.01802	6.2
129.07030	6.3
131.08562	25.4
133.10114	40.1
135.11688	9.3
145.04901	15.8
145.06494	3.7
145.10139	3.4
147.02855	3.7
147.11693	4.0
149.13213	4.9
159.02859	10.7
159.11716	17.7
159.12871	2.6
161.13272	4.3
171.02855	3.4
176.07036	2.9
177.12759	37.8
179.14423	3.3
189.03912	7.7
195.13811	8.9
197.09677	5.2
213.03911	5.7
219.13786	6.2
231.04988	10.7
285.14682	3.5
416.24115	13.0
460.27036	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	459.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.1
55.01855	10.8
55.05511	30.3
57.03436	24.6
57.07063	13.8
57.25173	3.7
61.02925	95.7
67.05177	4.0
67.05503	53.6
69.03429	43.5
69.07063	36.8
69.44626	16.1
69.45058	18.9
71.01335	4.8
71.04967	4.8
71.08641	7.0
73.02921	44.2
79.05479	42.2
81.03402	26.3
81.07050	52.2
83.04967	7.1
83.08617	30.4
85.02901	100.0
91.03957	60.5
91.05474	8.3
93.07037	45.9
95.04977	5.0
95.08601	45.0
97.02287	5.5
97.02890	89.0
97.06538	32.7
97.10156	14.7
98.21499	8.3
99.04447	13.2
101.02380	17.1
103.03931	16.4
105.07056	6.2
107.08583	36.3
109.02866	16.1
109.10144	29.2
111.08093	4.7
115.03944	6.0
121.10135	57.2
123.11708	18.0
127.03889	31.9
129.05449	17.5
133.01755	3.9
133.10075	5.1
135.11668	46.0
137.13246	5.8
145.04976	10.4
149.13245	19.6
163.14780	5.4
176.98163	3.7
183.06491	6.4
200.20157	3.7
201.07597	5.4
205.19498	50.1
210.44284	3.8
223.20514	35.9
237.37041	4.3
265.05029	4.0
297.24222	96.8
298.24460	4.4
325.23621	5.2
391.14484	4.6
441.28372	7.2
459.29208	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.3
55.01870	9.6
55.05508	1.3
57.03429	5.6
60.04517	2.0
61.02931	6.3
67.05499	1.2
68.99799	3.3
69.03429	29.5
69.07041	1.2
69.47337	2.1
69.47749	6.6
70.06586	2.8
71.04979	5.0
73.02908	6.3
79.05505	2.6
80.05042	1.1
81.03416	27.9
81.07053	2.8
82.22240	1.1
83.04984	1.9
85.02902	74.0
86.09714	2.8
87.00830	31.5
87.86121	1.2
91.03977	1.9
91.05456	2.2
91.21778	0.9
92.57192	0.9
93.07042	2.5
93.34163	0.9
95.04951	1.5
95.08588	2.0
96.15166	1.0
97.02892	29.0
97.06523	1.2
98.06077	1.3
99.04456	14.4
103.05447	6.3
103.64079	1.2
105.01860	31.0
105.07040	3.9
107.04949	8.2
107.08579	1.7
108.04480	9.2
109.02875	34.5
111.04430	1.4
111.08108	0.9
115.03946	2.2
115.05501	1.2
117.01851	4.1
119.08620	2.4
120.05699	0.9
120.08096	1.0
121.10163	1.7
126.05509	4.4
127.03912	58.7
129.01839	4.2
133.06516	1.7
135.08084	6.2
135.11780	1.0
137.05952	1.2
139.03906	2.6
145.04961	26.2
147.02867	2.6
151.07552	1.7
154.06244	29.4
159.02890	17.2
162.48453	1.1
163.07526	26.6
165.09129	1.5
167.07057	2.4
180.07829	1.5
195.10161	100.0
213.03976	3.7
230.06717	2.2
231.04933	10.4
248.07680	7.8
249.05923	1.4
266.08813	1.5
277.25937	1.2
295.12167	1.3
460.17542	1.5
460.26816	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.0
55.01850	7.1
55.05259	3.5
55.05505	58.3
56.96571	11.1
57.03423	5.7
57.95244	2.2
65.03925	3.5
67.05500	47.2
69.03424	6.3
69.07058	12.2
69.20187	2.1
70.78883	7.1
79.05055	3.6
79.05489	49.5
81.03400	5.3
81.07056	33.2
83.04967	8.3
83.08617	30.2
91.05476	45.2
91.08231	2.7
93.07030	26.4
95.04951	9.7
95.08623	12.8
97.06506	3.7
97.10167	47.1
97.24937	2.2
98.97545	6.8
103.05454	20.9
105.03363	2.6
105.07024	32.1
107.04926	10.3
107.08600	22.7
107.60874	2.3
109.06503	3.8
109.10156	11.8
115.05449	12.4
116.98609	5.7
117.06211	3.5
117.07016	55.0
119.08569	17.5
121.06525	5.8
121.10129	4.2
123.08117	3.4
125.09623	51.6
128.06215	5.9
129.06984	32.1
131.04912	6.6
131.08565	39.7
133.06477	9.0
133.10144	5.5
134.99644	8.3
135.08028	10.4
135.11623	2.8
141.06947	10.4
143.08543	16.9
143.10669	3.2
145.06493	16.4
145.10095	13.2
147.08025	3.7
147.11636	2.8
149.09624	6.1
153.00755	3.0
153.06940	2.8
153.09157	4.7
155.08533	20.4
157.06514	5.3
157.10138	8.0
158.01244	2.8
159.08032	6.1
159.11729	4.8
161.13232	2.2
163.00613	2.8
165.09105	3.3
167.08536	7.9
169.10135	13.4
171.08015	5.2
171.11714	8.2
173.09685	3.0
173.13232	4.9
179.08621	2.4
180.09244	2.5
181.01735	6.0
181.10130	6.1
183.11719	4.4
185.09729	3.4
185.13203	5.6
187.14789	13.6
189.11200	33.2
189.12723	3.7
193.10135	2.9
195.11699	6.7
197.13254	17.2
199.02728	2.4
199.11134	3.1
207.03299	18.7
209.13171	2.2
211.11188	2.9
213.12709	8.8
215.14299	100.0
223.11177	3.0
225.04337	23.9
227.12669	25.7
231.13698	3.5
233.15269	5.1
237.12784	3.6
241.12259	4.3
245.13809	3.5
249.04263	16.3
267.05447	20.2
269.15506	4.0
271.16919	6.6
290.07175	3.4
309.06400	13.9
321.21982	2.6
339.23135	6.2
349.21643	15.6
355.15021	2.3
367.22614	43.6
385.23798	24.5
403.24939	4.1
423.25247	3.0
441.26245	59.2
442.26544	2.8
459.27368	77.9
459.33884	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	459.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.3
55.01864	8.2
55.05507	49.3
56.96564	3.9
57.03428	8.3
66.01401	3.5
67.05497	52.8
69.03422	9.0
69.07068	18.0
70.21378	13.8
71.04986	4.6
79.05489	51.4
81.03405	4.1
81.07059	38.5
83.04971	4.8
83.08620	27.0
91.05479	40.6
93.07034	24.2
95.04967	5.2
95.08609	15.9
97.06528	5.2
97.10161	46.5
98.08400	3.4
103.05468	24.9
104.61677	3.1
105.07016	37.3
107.04962	6.8
107.08585	29.4
109.06521	5.6
109.10152	10.5
114.21080	3.0
115.05446	9.7
117.07007	62.1
119.08558	21.9
121.06485	5.4
121.10122	5.0
123.08061	4.9
125.09630	45.7
128.06232	10.6
129.06990	29.1
131.04955	6.0
131.08556	42.0
133.06450	8.9
133.10156	7.2
135.08060	11.7
137.09570	4.2
141.06979	11.7
143.08517	16.1
143.10745	3.8
145.06464	15.5
145.10103	14.2
147.08101	3.5
149.09605	6.8
153.06943	5.0
153.09100	7.0
155.08548	13.8
157.06430	8.1
157.10138	8.0
159.08096	7.1
159.11742	3.4
163.38640	3.8
167.08545	5.4
169.10130	14.7
171.08099	5.6
171.11710	10.7
173.13303	5.3
185.13232	8.3
187.14748	19.2
189.11206	31.3
195.11650	8.6
197.13182	26.7
213.12761	3.5
215.14291	100.0
223.11172	4.9
227.12708	34.0
233.15294	4.1
241.12291	5.6
259.13147	3.9
269.15555	3.9
271.17014	7.7
304.65909	4.2
339.23169	8.1
349.21698	12.1
357.24167	5.1
367.22690	44.1
385.23779	20.9
403.24756	14.0
441.26309	59.4
458.76038	3.7
459.27307	96.6
459.33713	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	459.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.01866	3.2
55.05499	9.9
57.03429	2.8
57.07046	3.0
59.04984	2.8
65.03933	1.6
67.05508	19.9
69.03436	11.2
69.07063	13.7
69.40146	16.2
71.04977	5.2
73.02911	2.8
76.78234	1.7
79.05480	4.9
81.03403	8.2
81.07050	22.9
82.07320	2.3
82.65410	1.7
83.04978	10.1
83.08605	5.8
85.02902	18.2
85.06518	5.2
87.00827	7.7
91.05490	4.9
93.07051	11.1
95.04944	4.1
95.08602	37.2
97.02870	6.0
97.10169	2.3
98.97550	5.1
99.04433	5.7
99.08090	27.4
100.74968	1.7
105.01823	2.5
105.07022	8.3
107.08591	19.3
109.02856	5.1
109.06507	7.3
109.10150	92.4
110.75962	1.8
111.08068	3.2
113.09602	2.4
116.98679	2.1
119.08566	37.3
121.10154	11.1
123.08064	13.4
123.11701	9.5
125.09572	2.4
127.03915	10.3
133.10120	32.3
135.11687	87.6
136.11990	2.5
136.31300	1.8
137.09575	15.7
139.11205	2.6
145.04956	3.5
147.11581	2.2
149.13229	7.6
151.11150	7.8
151.14833	12.0
155.10660	5.7
159.02913	4.5
163.02885	1.8
165.16345	4.1
166.60062	1.7
167.06941	1.9
175.14815	45.3
178.93915	1.9
193.15862	57.6
194.16345	2.6
211.13484	3.6
211.16919	100.0
212.17238	2.1
231.04887	2.0
334.90570	1.8
360.60464	2.0
384.05469	1.9
390.27960	1.9
418.07877	1.8
459.14532	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	459.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.9
53.80410	0.7
55.01866	1.5
55.05513	4.8
57.03428	1.3
58.38145	1.0
58.88074	0.8
61.02928	1.0
67.05505	7.2
69.03424	7.1
69.07071	5.2
70.06606	1.2
70.71347	1.6
70.71719	1.8
71.04989	2.6
79.05487	2.1
81.03411	4.9
81.07065	8.0
83.04987	1.8
83.08607	2.7
85.02899	8.6
85.06519	2.5
86.09731	1.7
87.00825	3.3
91.05480	3.7
91.06055	0.8
93.07032	5.7
95.04955	0.9
95.08027	1.6
95.08602	15.4
97.02887	2.6
97.06537	2.1
97.10159	1.4
99.04455	1.5
99.08097	0.9
101.03631	0.9
105.01861	2.5
105.06987	4.2
107.08593	8.4
109.02874	3.2
109.06478	4.2
109.10163	23.3
111.08078	13.3
119.08582	15.2
121.10143	8.0
123.08083	11.7
123.11707	4.4
125.09659	1.9
127.03899	6.1
133.10135	12.8
135.11697	14.3
137.09621	26.1
137.13274	1.5
138.10379	2.5
139.11156	1.2
145.04964	1.9
147.11664	2.7
148.26656	0.9
149.13289	5.1
151.07545	4.7
151.11165	2.0
151.14825	2.8
159.02859	1.3
165.09122	2.9
165.12750	4.2
165.16399	1.4
175.14824	25.5
176.15228	1.0
188.76053	0.8
193.15878	21.2
194.16281	0.9
206.12389	0.8
208.07114	0.8
211.16934	100.0
212.17227	2.4
237.02676	1.2
240.15073	1.0
265.21027	1.0
325.42871	0.8
459.16080	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19808	0.4
69.03425	0.6
69.89553	0.6
69.89883	3.5
70.06570	1.1
70.24046	0.5
72.08141	1.3
73.53999	0.5
74.06087	0.6
74.82957	0.5
81.07050	0.6
84.08125	0.8
85.02904	0.8
86.09687	2.6
98.21461	0.7
98.80105	0.5
165.05522	0.6
193.12012	1.2
203.05376	1.1
211.13023	4.3
227.44138	0.6
245.06320	3.8
253.14122	0.9
262.11923	0.6
262.32080	0.6
271.04276	0.7
271.13849	0.7
289.05307	5.0
355.17133	0.7
373.18250	7.8
397.18454	1.6
415.19333	26.5
420.26688	0.6
441.17374	1.8
459.18350	100.0
460.18604	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20155	0.3
53.03897	0.4
55.01864	0.5
55.05486	0.9
56.05008	0.9
56.96536	0.4
57.03419	0.6
60.04493	0.5
60.72079	0.4
67.05465	0.4
69.03393	1.3
69.07040	0.6
69.76987	0.3
69.77338	2.5
70.06592	5.9
71.04966	0.4
72.08150	2.7
73.02909	0.5
74.06046	1.3
74.38940	0.3
81.03382	1.1
81.07030	0.8
82.06565	0.5
83.04984	0.4
84.04476	1.1
84.08141	3.1
85.02870	1.7
85.08462	0.4
86.09702	4.6
91.05441	1.5
93.07014	0.5
95.08566	0.4
97.02854	1.1
98.20777	0.5
99.04391	0.6
101.07085	0.4
102.05503	0.7
102.93036	0.4
103.66782	0.4
105.06956	0.5
107.04964	0.6
109.05068	1.0
110.07136	0.9
111.04454	0.3
116.07052	0.9
116.98567	0.6
119.08545	0.8
120.06541	1.3
120.08066	0.8
121.06491	0.4
127.03889	0.7
129.10205	1.6
133.06386	0.4
134.04619	11.5
135.03017	0.8
135.04381	0.4
136.07607	0.7
140.02733	0.5
143.11751	0.5
146.04489	0.6
149.99910	0.8
152.05685	2.1
152.06726	0.3
159.02962	0.4
165.02313	8.9
167.02640	0.9
178.03610	1.2
182.04956	75.8
183.03334	0.6
193.00531	0.5
193.12085	0.6
195.13574	0.5
203.05174	0.6
208.02873	100.0
209.02875	0.8
209.04495	1.3
211.04916	0.5
229.15503	0.4
243.04802	0.4
253.12936	0.5
271.13562	0.4
287.03741	7.0
289.05185	2.4
314.09241	1.2
327.08679	51.3
328.09189	0.7
340.07281	0.5
415.19333	1.7
441.17413	0.5
459.18488	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	459.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12563	2.3
53.03938	3.9
55.05492	9.5
57.03429	3.6
57.83084	2.4
59.04984	2.4
67.05500	21.9
68.49958	2.1
69.03423	17.4
69.07064	14.9
70.06587	5.2
70.94566	3.6
70.94898	5.4
71.04989	6.5
79.05027	2.9
79.05473	7.9
81.03414	6.9
81.07058	25.5
83.04963	11.4
83.08610	9.6
84.08105	2.6
85.02906	21.8
85.06513	4.9
85.98384	2.5
86.09692	6.9
87.00807	6.4
91.05475	8.8
93.07047	16.4
95.04921	5.1
95.08607	36.3
97.02907	5.9
97.06510	3.6
99.04410	3.5
99.08075	15.3
100.11296	3.3
102.71636	2.3
105.01850	4.9
105.07029	12.9
107.08595	23.3
109.02925	5.1
109.06512	10.1
109.10150	100.0
111.08064	4.9
112.88416	2.7
113.09589	4.2
116.98603	2.9
119.08570	42.5
121.10133	16.9
123.08067	15.2
123.11695	7.4
125.09583	3.8
127.03896	14.8
130.13995	2.7
131.08536	3.4
133.10114	23.6
135.11688	97.6
137.05969	6.2
137.09612	18.3
139.11176	4.1
145.04979	4.9
147.11639	3.5
149.13277	10.1
151.07573	4.1
151.11166	9.0
151.14818	12.4
153.60670	2.5
155.10692	5.3
165.09084	4.2
165.16475	3.2
167.06979	4.6
175.14830	42.8
193.04892	4.0
193.15863	60.0
211.16907	79.9
415.19290	2.8
459.17136	7.6
459.22235	8.6
468.25323	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	459.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32410	1.5
55.01849	2.2
55.05496	6.6
56.96282	2.6
56.96556	25.1
57.07068	2.6
65.03915	1.9
67.05511	10.9
69.03407	4.2
69.07061	5.0
70.06572	4.2
71.04974	2.7
71.59888	1.8
71.60268	2.3
79.05497	8.5
81.03413	9.9
81.07046	14.0
83.04972	5.0
83.08598	2.8
84.08127	1.9
84.96019	10.6
85.02888	5.0
85.06562	1.6
86.09721	3.6
91.05472	7.6
93.07032	8.8
95.04971	4.9
95.08607	9.9
97.02907	1.7
97.06502	2.0
97.10159	6.1
98.97576	29.9
99.04474	1.7
99.05566	1.8
103.05453	2.9
105.07013	8.1
107.04961	4.3
107.08611	8.2
109.06525	2.0
109.10152	8.1
110.97562	5.8
116.98629	28.4
117.07024	3.7
119.08588	4.7
121.06490	3.1
121.10115	5.0
123.00445	2.0
123.08099	2.4
123.11675	1.7
123.52241	1.8
125.09625	3.1
127.03896	2.3
127.11243	1.9
128.98582	16.0
129.06992	2.9
131.00168	2.5
131.04883	3.0
131.08566	4.6
133.06502	2.8
133.10097	5.0
134.99651	25.6
135.08046	2.5
135.11652	2.4
137.05980	4.2
137.09584	2.9
140.00201	1.9
143.00166	5.9
143.08521	2.8
145.06506	2.6
146.04509	5.0
146.99661	22.0
147.08031	2.5
147.11687	2.6
149.01213	2.8
151.07521	12.6
152.98621	3.3
153.00740	4.1
158.99678	10.6
161.01256	13.5
161.06009	2.3
162.99182	4.1
163.07230	4.8
163.11206	2.2
165.00671	2.5
165.07838	2.8
165.09094	15.0
167.07045	3.8
170.99625	10.4
173.01297	2.6
177.00699	16.6
177.09064	2.4
179.02228	2.5
189.00743	8.0
189.09181	2.2
191.10675	5.1
195.01802	3.0
201.00722	3.2
203.09538	5.4
219.01759	15.9
221.10660	5.7
227.09525	1.9
231.08997	3.7
233.45259	1.8
237.02786	51.7
237.05093	2.7
242.03166	2.0
245.10579	3.6
255.03931	4.8
257.10663	6.2
260.04544	3.1
271.12247	13.2
273.14798	2.7
275.11832	2.8
279.03851	2.9
299.16562	1.9
313.13333	2.4
329.12918	3.0
339.23370	2.0
347.13828	3.5
349.21976	2.1
367.22818	5.6
373.15387	44.6
385.23816	7.1
391.16394	86.0
392.16788	4.5
403.20715	2.3
414.17981	5.7
415.16879	21.3
416.17795	1.8
433.17480	19.0
459.16312	100.0
459.26312	12.7
460.16916	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	459.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20155	0.3
53.03897	0.4
55.01864	0.5
55.05486	0.9
56.05008	0.9
56.96536	0.4
57.03419	0.6
60.04493	0.5
60.72079	0.4
67.05465	0.4
69.03393	1.3
69.07040	0.6
69.76987	0.3
69.77338	2.5
70.06592	5.9
71.04966	0.4
72.08150	2.7
73.02909	0.5
74.06046	1.3
74.38940	0.3
81.03382	1.1
81.07030	0.8
82.06565	0.5
83.04984	0.4
84.04476	1.1
84.08141	3.1
85.02870	1.7
85.08462	0.4
86.09702	4.6
91.05441	1.5
93.07014	0.5
95.08566	0.4
97.02854	1.1
98.20777	0.5
99.04391	0.6
101.07085	0.4
102.05503	0.7
102.93036	0.4
103.66782	0.4
105.06956	0.5
107.04964	0.6
109.05068	1.0
110.07136	0.9
111.04454	0.3
116.07052	0.9
116.98567	0.6
119.08545	0.8
120.06541	1.3
120.08066	0.8
121.06491	0.4
127.03889	0.7
129.10205	1.6
133.06386	0.4
134.04619	11.5
135.03017	0.8
135.04381	0.4
136.07607	0.7
140.02733	0.5
143.11751	0.5
146.04489	0.6
149.99910	0.8
152.05685	2.1
152.06726	0.3
159.02962	0.4
165.02313	8.9
167.02640	0.9
178.03610	1.2
182.04956	75.8
183.03334	0.6
193.00531	0.5
193.12085	0.6
195.13574	0.5
203.05174	0.6
208.02873	100.0
209.02875	0.8
209.04495	1.3
211.04916	0.5
229.15503	0.4
243.04802	0.4
253.12936	0.5
271.13562	0.4
287.03741	7.0
289.05185	2.4
314.09241	1.2
327.08679	51.3
328.09189	0.7
340.07281	0.5
415.19333	1.7
441.17413	0.5
459.18488	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	458.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54439	3.9
53.03934	7.9
53.54044	3.7
55.01861	8.3
55.05497	15.1
55.82452	4.0
56.96571	5.1
61.67641	4.3
65.08842	4.6
67.05499	27.9
68.28834	4.0
69.03111	4.8
69.03425	44.8
69.07050	10.4
70.06577	9.2
70.29285	20.2
71.04989	6.2
76.24931	3.9
79.05489	34.6
81.03408	18.9
81.07053	31.3
82.34427	3.5
85.02886	18.1
91.05482	95.9
93.07037	36.2
95.04955	25.6
95.08582	7.7
97.02869	10.2
97.06534	4.1
98.97593	11.5
99.04435	5.4
101.19747	4.5
103.05447	4.9
105.04534	4.1
105.07030	94.8
107.04986	5.4
107.08579	22.1
107.13305	3.9
109.02873	6.3
109.06517	9.8
115.05434	12.3
116.06233	10.4
116.98607	6.4
117.07019	15.7
119.08569	43.5
121.10123	5.4
127.03938	10.6
128.06200	8.4
129.07013	27.6
131.08566	57.5
133.06480	9.7
133.10133	18.6
135.07977	8.1
141.06931	8.9
142.07758	19.6
145.10095	9.1
147.11664	11.3
157.10149	9.1
165.09096	8.3
166.09421	7.1
175.11174	100.0
180.55435	4.5
181.56461	5.2
237.02786	10.8
279.03943	4.9
312.64713	5.8
349.15469	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	457.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	13.0
55.05524	28.0
56.68488	4.0
57.00325	3.5
57.03436	38.7
57.07061	10.7
59.05003	6.2
63.57763	4.0
67.05214	4.8
67.05508	49.8
67.12982	3.8
69.03425	13.8
69.07079	33.7
70.68652	13.1
71.04981	16.1
71.08615	12.2
79.05495	35.5
81.07063	87.1
82.75629	4.2
83.05004	7.0
83.08633	24.5
84.05762	26.1
85.06533	9.8
87.04468	16.3
91.05483	21.3
93.07043	33.4
95.04963	10.6
95.08049	5.4
95.08617	74.9
97.06512	22.4
97.10143	6.9
98.07303	4.5
99.04465	9.3
99.08080	12.7
105.07033	18.2
105.54630	3.6
107.08565	19.5
109.06509	12.6
109.10162	34.1
111.08082	15.4
116.04723	6.9
119.08561	16.7
121.10155	27.2
123.08082	10.0
123.11723	6.3
125.09624	6.5
127.11129	5.8
129.05489	33.7
131.08562	14.5
133.10104	20.8
135.11681	12.9
137.09647	6.5
143.06953	4.2
145.10092	5.9
147.11673	17.0
149.13268	14.2
151.15021	3.5
154.69769	4.1
159.11694	8.8
161.13225	7.4
163.14833	7.1
165.12746	4.9
167.14319	7.5
171.13786	26.1
175.14857	9.6
187.14813	10.4
193.15889	8.6
195.17471	7.9
203.14351	8.5
205.15919	8.8
209.09940	4.2
221.15341	11.7
223.16940	52.6
225.18494	22.2
231.15915	7.1
233.92403	3.7
239.16507	10.6
240.17188	5.8
241.17981	19.8
249.18565	4.9
257.17474	58.0
297.20587	13.7
313.20108	100.0
314.20743	22.9
314.62695	4.1
315.21732	50.7
439.30441	6.7
457.31537	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
54.03468	3.8
55.01872	1.1
55.05515	2.1
55.49906	0.5
56.05052	0.6
56.96578	1.4
57.03434	0.6
65.03963	0.7
67.05183	0.7
67.05484	2.8
69.03448	1.1
69.07063	2.5
70.06596	1.4
71.04995	0.9
71.06113	1.4
72.04515	10.7
73.02917	1.7
74.02437	43.9
79.05510	2.8
81.03412	12.2
81.07061	4.5
82.02935	10.4
83.01350	1.9
83.04991	1.2
83.08646	0.7
84.08190	0.6
85.02920	2.8
87.01395	0.5
87.08109	1.4
88.04021	0.6
89.90285	0.5
91.05482	3.2
93.07040	3.4
95.04976	1.6
95.08604	3.1
97.02879	0.6
97.06505	1.2
97.10194	1.1
98.06043	0.7
98.20713	1.2
98.97573	1.0
99.05575	49.3
100.03971	18.4
101.02402	1.0
105.07037	3.1
107.04930	1.6
107.08586	2.4
109.02898	1.2
109.06508	0.6
109.10158	2.2
117.06570	7.1
118.05012	27.7
119.08575	2.5
121.06533	2.5
121.10137	1.7
123.08096	0.9
123.11710	1.1
125.09690	0.7
127.03911	1.5
128.03458	1.1
129.07007	1.5
131.04997	0.5
131.08575	2.2
133.06491	1.2
133.10144	1.3
135.08075	1.8
135.11690	1.1
137.06013	0.6
137.09537	1.3
143.08595	0.9
145.04929	1.0
145.06070	17.6
145.10098	0.9
146.04477	91.7
147.04837	0.7
147.08081	1.1
148.41113	0.5
149.09599	1.5
149.13263	1.2
151.07509	1.0
152.10777	0.5
157.10150	0.9
159.11633	1.3
161.09663	0.7
161.13234	0.8
163.07130	100.0
164.07484	0.9
165.09099	5.2
171.11746	0.5
173.09518	0.5
189.12737	1.2
191.14230	1.2
195.13777	0.8
205.12173	1.0
206.11186	0.6
209.15302	0.9
211.12654	0.4
213.14828	1.7
236.73470	0.5
237.02859	0.6
243.09708	0.5
253.11046	1.6
259.16824	1.7
271.12112	0.8
277.17889	2.9
371.20538	0.5
382.03418	0.6
413.21545	1.2
439.31750	0.7
457.21045	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	457.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32839	1.6
53.03941	3.8
55.01860	4.4
55.05502	5.3
56.96560	2.0
57.03427	3.2
60.09106	1.3
61.02914	3.2
67.05491	4.5
69.03429	18.8
69.07053	3.5
70.06595	2.7
70.76325	3.5
71.04996	3.5
72.77454	1.5
73.02911	2.3
75.80608	1.4
79.05486	5.8
81.03414	14.4
81.07053	9.0
83.04980	2.7
84.08123	3.2
85.02898	26.3
85.06538	6.5
86.09704	2.4
87.00822	11.9
91.05471	10.0
93.07025	9.1
95.04944	3.7
95.08595	6.8
97.02893	8.4
97.06535	5.5
98.97571	5.7
99.04457	7.1
99.08094	1.5
105.01872	7.0
105.07030	23.3
107.04926	2.1
107.08607	15.2
109.02870	13.3
109.06493	6.8
109.10126	4.9
111.08083	1.5
116.98618	3.9
117.07015	2.5
119.08591	8.9
121.06480	2.4
121.10139	16.1
122.07247	2.6
123.08057	5.1
123.11664	2.3
125.09659	1.4
127.03908	19.2
128.98621	2.0
129.06967	2.4
131.08543	21.5
133.10121	95.8
135.08049	5.4
135.11621	1.8
137.09599	21.0
143.08539	3.4
144.09291	1.6
145.04993	7.0
145.10100	11.2
147.02855	1.7
147.04430	2.0
147.11639	9.6
149.09631	5.7
149.13303	7.9
151.11166	19.4
158.10922	3.8
159.02925	6.2
163.14781	5.3
165.12746	31.8
173.13249	52.7
177.00633	2.6
185.13211	1.4
191.14299	40.1
193.15862	2.9
195.11604	1.5
207.06648	2.2
208.06981	1.9
209.04457	2.8
209.15353	100.0
210.15901	1.6
237.02852	6.1
362.52777	1.6
371.13748	8.2
389.14758	4.5
413.14792	3.5
415.18939	2.0
457.14587	9.2
457.24222	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	457.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.6
54.59007	1.3
55.01859	4.2
55.05508	2.5
56.96571	2.4
57.03422	2.8
61.02925	2.4
65.03931	1.2
67.05492	2.7
69.03426	13.1
69.07062	2.5
70.06573	2.5
70.69141	3.6
73.02914	2.0
79.05470	3.8
81.03413	11.4
81.07048	10.6
83.04962	3.7
85.02897	17.8
85.06558	1.8
86.09728	2.0
87.00822	6.7
91.05474	5.5
93.07048	5.9
95.04967	3.8
95.08611	7.6
97.02872	5.3
97.06535	3.1
98.97578	2.5
99.04433	4.0
103.28823	1.1
105.01859	5.8
105.07036	9.4
107.04948	3.2
107.08580	13.1
109.02873	7.9
109.06515	6.0
109.10136	6.1
117.06937	1.5
119.08520	5.5
121.06505	2.3
121.10141	14.6
122.07259	2.6
123.08054	4.4
123.11710	2.5
127.03915	12.2
131.08556	5.1
133.10120	51.1
134.10376	1.4
135.08029	4.8
135.11673	2.8
137.09608	23.3
141.46375	1.1
143.08545	2.1
145.04933	4.7
145.10121	2.6
147.04350	1.3
147.11685	4.3
149.09636	8.5
149.13231	8.1
151.09943	2.0
151.11176	38.2
158.10970	1.8
159.02930	3.4
163.07303	1.2
163.14806	1.9
165.12743	31.2
166.13080	1.2
173.13249	13.8
178.37827	1.2
191.14311	29.7
192.73196	1.1
193.15872	4.9
207.30263	1.1
209.15344	100.0
210.15630	2.1
231.04929	2.1
251.13182	2.0
257.31830	1.3
371.13232	1.5
383.15143	1.3
384.07123	1.4
389.15234	2.3
400.85815	1.4
411.21408	1.3
413.17828	1.3
433.01865	1.1
447.20566	1.4
457.16766	4.6
457.24734	1.3
457.94186	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.5
55.01871	4.5
55.05508	6.2
56.96554	3.2
57.03415	3.7
57.07082	2.9
57.60863	2.1
61.02944	2.7
67.05491	7.8
69.03434	14.9
69.07066	10.0
70.06310	2.2
70.06598	23.7
70.51785	6.7
71.04988	7.2
72.08163	5.3
73.02894	2.7
79.05485	23.0
81.03412	17.1
81.07055	54.2
83.04945	4.2
83.08595	6.3
84.04490	2.9
84.08132	6.4
84.85403	2.0
85.02906	20.2
86.09708	12.5
87.00826	6.5
91.05475	9.3
93.07040	11.6
95.04959	9.8
95.08634	4.8
97.02896	11.6
97.06524	5.1
98.97581	13.1
99.04458	9.3
105.01861	4.5
105.07015	7.9
107.04939	3.0
107.08583	13.9
109.02885	11.2
109.06520	86.6
109.10131	6.5
111.08066	4.6
115.03957	3.1
116.98606	9.0
119.08620	5.2
120.08111	2.4
121.06518	4.8
121.10143	6.4
123.00761	2.5
123.08086	4.2
123.11693	2.9
127.03903	14.9
129.10172	2.3
131.00177	2.7
131.08545	5.4
133.10147	16.8
134.99716	3.4
135.08052	6.4
136.07574	5.8
145.04922	4.6
145.10129	3.2
147.08011	2.8
147.11713	5.6
149.01183	4.5
149.05980	5.6
149.09618	5.4
149.13245	6.4
153.09109	7.4
158.10979	2.2
158.99715	3.0
159.03021	3.6
163.03917	3.1
164.07051	6.3
165.07355	2.9
167.00876	2.2
167.14297	4.4
173.01157	2.3
173.13245	7.0
177.00697	6.6
177.05481	3.4
179.14323	2.5
191.02165	3.2
191.07053	4.7
191.14310	28.9
193.05084	4.1
196.29822	2.4
207.06505	2.6
209.04459	100.0
209.08067	7.7
209.11343	3.5
209.15370	27.6
210.04767	3.1
243.13573	2.5
269.10522	5.4
295.16785	2.8
298.11673	2.6
311.11618	5.1
371.17059	5.2
388.61218	2.2
413.18335	16.5
457.16650	51.4
457.23969	41.9
458.17184	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94821	0.6
53.03948	4.5
55.01869	2.9
55.05508	3.7
56.05020	0.9
57.03428	2.1
57.07072	1.8
59.04993	0.7
61.02934	1.1
65.03922	1.6
67.05494	2.9
67.52580	0.8
68.44191	0.8
68.99770	1.1
69.03424	9.1
69.07066	4.5
70.06588	4.8
70.92802	2.0
70.93158	1.0
71.04979	2.6
72.08148	1.9
79.05486	23.5
81.03412	8.9
81.07051	58.4
83.04970	4.2
83.08623	5.0
84.04484	0.9
84.08165	1.1
85.02893	16.1
85.06526	1.8
86.09695	3.2
87.00829	5.5
91.05477	5.4
93.07036	9.2
95.04958	6.5
95.08607	6.9
97.02876	6.9
97.06511	4.1
99.04437	3.9
105.01879	4.9
105.07030	4.9
105.36630	0.8
107.04920	1.1
107.08597	7.3
107.47897	0.8
109.02879	7.1
109.06509	100.0
109.10126	4.9
111.08050	4.8
115.03939	1.5
116.07116	0.8
117.01807	1.0
117.07016	0.9
119.08591	3.6
121.06481	1.7
121.10127	6.8
123.08040	2.3
123.11717	5.3
125.09626	1.4
127.03914	11.5
129.01840	1.9
131.08563	3.8
133.05019	0.8
133.10130	15.4
135.08015	5.2
135.11674	2.1
136.07568	2.0
137.09618	1.2
139.07579	1.5
139.11113	2.0
145.04964	3.6
145.10126	1.6
147.08061	1.2
147.11638	2.3
149.05969	1.1
149.09630	1.7
149.13261	5.1
151.07530	1.7
153.09119	5.8
158.10907	1.3
159.02881	2.7
163.07564	0.9
163.11322	0.8
163.14752	1.4
165.09102	1.2
167.14340	4.0
173.13246	9.2
175.07562	0.9
175.11209	1.1
178.08641	1.0
191.10484	1.3
191.14299	24.9
191.16032	1.3
193.08627	0.9
201.12302	0.9
209.04431	20.4
209.11526	2.9
209.15364	14.3
213.04027	1.2
231.04863	1.6
279.19278	0.9
315.19223	1.3
371.16837	6.3
413.17770	14.9
439.14597	0.9
450.38455	0.9
457.16730	36.5
457.23706	7.1
458.17154	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.2
56.53924	1.0
56.96560	10.9
61.12774	1.0
67.05486	1.4
68.28129	0.9
69.03423	2.9
69.07066	2.3
70.06606	2.1
70.96148	1.3
70.96466	1.6
71.05032	1.2
72.08139	1.9
78.18655	1.0
79.05487	1.6
81.03409	2.9
81.07034	3.5
83.04956	2.1
84.08149	1.8
84.95994	1.4
85.02884	2.9
86.09686	3.2
87.00830	1.8
88.86676	1.0
91.05460	2.3
93.07051	2.6
95.08602	3.9
97.02867	1.8
97.06512	1.3
98.97590	8.8
99.04475	2.0
105.07037	2.9
107.08587	4.7
109.02851	1.8
109.06508	4.4
109.10147	3.1
110.97578	2.2
115.00640	2.2
116.98627	7.3
119.08555	2.0
120.08088	1.2
121.02834	1.0
121.06517	1.2
121.10096	4.9
123.08051	2.4
125.09628	1.7
127.03999	1.1
128.98589	5.8
131.00127	1.2
131.08577	2.1
133.01738	1.7
133.10091	4.8
134.99658	3.6
135.08020	3.3
137.09557	1.0
143.00130	1.0
145.10109	2.1
146.99648	4.3
147.03122	1.2
147.11758	1.1
149.05905	1.3
149.09564	2.7
149.13301	1.2
151.11189	7.1
158.99634	1.1
163.07626	1.8
163.14824	1.6
165.09087	1.2
166.68498	1.3
170.99716	1.2
173.01314	1.1
173.13269	4.9
177.00780	1.9
187.06494	2.4
191.14276	12.2
193.04913	1.4
209.04449	1.4
209.11653	1.0
209.15346	8.8
219.01752	6.3
227.09454	5.4
237.02840	14.5
241.86856	1.1
245.10625	10.8
255.03748	1.6
269.10553	6.9
281.10565	2.5
287.11725	3.0
299.11591	1.9
311.11847	1.5
350.17447	1.0
371.13788	37.3
371.18326	2.2
389.14859	17.0
413.15121	22.6
431.15891	2.4
457.14709	100.0
457.22919	6.7
458.15076	2.3
459.65256	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50664	1.1
52.42483	1.3
56.96558	11.9
60.11403	1.0
67.05505	2.3
69.03415	3.8
69.07082	1.2
70.06584	3.0
71.21229	2.2
72.08153	2.1
73.01674	1.0
79.05473	1.4
81.03420	2.5
81.07037	3.8
83.04973	1.5
83.08617	1.2
84.08150	2.0
84.96011	1.6
85.02889	5.0
86.09682	2.8
87.00845	1.5
91.05479	2.5
93.07047	3.5
95.04975	1.8
95.08594	4.8
97.02877	3.2
97.06528	1.2
98.97579	8.0
105.07031	4.2
107.08575	5.2
109.02901	2.4
109.06536	6.4
109.10143	3.6
110.97578	2.7
115.00705	2.1
116.98645	7.1
119.08540	2.6
121.06512	1.1
121.10142	5.4
123.08046	1.2
125.09651	1.1
127.03905	2.6
128.98624	5.3
131.00182	1.5
131.08557	3.6
133.01747	2.9
133.10162	6.4
133.11058	1.2
134.99655	4.9
135.08052	4.6
135.11678	2.2
137.09610	1.9
146.99649	2.9
147.04321	1.2
147.11682	2.7
149.09618	2.0
149.13235	2.8
151.07523	1.4
151.11206	9.3
159.03185	1.6
161.01259	2.1
165.09108	2.6
170.99663	1.3
173.13272	5.1
187.06445	2.9
189.00758	2.0
191.14288	15.6
193.04980	3.4
194.05356	1.6
209.15358	10.5
219.01758	4.1
227.09552	4.7
237.02800	15.9
240.67422	1.2
245.10603	12.1
255.03925	1.6
269.10580	6.0
281.10617	2.6
287.11673	1.9
297.10123	1.3
299.11664	1.4
311.11151	1.1
371.13760	46.1
389.14767	16.2
407.40149	1.1
413.14941	24.2
443.04080	1.1
457.14713	100.0
457.22333	3.4
457.24286	3.1
458.15109	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	13.8
58.67599	1.6
58.83976	2.0
67.05479	1.7
69.30898	19.4
70.06590	6.9
82.06567	11.3
84.96029	14.8
85.02906	1.9
86.09686	7.4
87.56968	1.7
93.07039	3.8
98.97574	69.3
105.07034	2.2
110.97592	2.3
112.99109	13.4
116.07080	3.5
116.98605	39.8
126.13103	1.8
131.00157	22.2
134.99664	13.0
140.00131	2.1
140.98502	1.9
144.98068	2.7
146.99664	2.3
149.01216	16.6
149.09595	4.4
153.00691	1.9
158.99625	17.6
159.91281	1.9
161.01184	2.2
162.99103	7.0
164.57829	1.9
167.02219	3.3
173.01204	16.7
177.00714	40.4
190.07367	1.9
191.02251	21.9
195.01756	6.0
197.04611	2.5
201.00681	6.1
201.12306	2.8
219.01707	13.2
229.11876	2.6
229.15421	2.2
233.03339	2.6
250.14490	3.5
251.09474	15.9
255.08936	2.8
265.11108	6.8
269.10605	26.9
281.10461	2.4
283.12140	7.3
293.10648	13.8
296.14865	2.9
311.11642	24.3
323.11606	3.6
325.13138	3.3
413.16269	7.7
457.14798	100.0
457.24005	12.5
458.15079	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	457.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00234	1.3
56.96331	1.7
56.96564	16.0
66.99265	1.5
67.05516	1.9
69.03402	2.4
70.06248	1.2
70.06596	10.2
71.60238	2.3
71.95241	3.2
73.02899	1.8
76.95615	1.4
81.03406	2.1
81.07056	3.8
82.06573	18.3
84.04494	2.0
84.08146	2.6
84.96033	18.3
85.02872	2.5
86.09707	12.0
91.05507	2.3
93.07030	5.4
98.97581	82.2
100.07600	2.9
102.97039	3.3
105.07028	2.1
107.08543	1.9
107.54651	1.4
109.06475	2.0
109.21104	1.5
110.97544	2.0
112.99137	11.2
116.07086	3.1
116.98617	58.4
128.98634	2.5
130.04988	2.0
131.00165	29.7
133.10109	4.4
134.99648	27.4
140.98576	2.3
142.19267	1.5
144.98029	4.0
146.99603	3.0
147.04362	2.1
149.01218	27.6
149.09590	5.6
153.00699	2.2
158.99649	21.3
161.01175	2.2
162.99150	6.7
167.02200	3.8
170.22308	1.7
172.02722	1.8
173.01254	20.1
177.00699	48.8
191.02252	30.8
195.01765	9.7
201.00702	9.2
201.12373	4.5
203.02295	2.3
209.04608	3.2
219.01750	15.9
229.11719	6.1
229.15448	3.9
233.03314	4.7
250.14488	7.4
251.09496	19.9
255.09076	3.4
265.11194	7.5
268.15411	2.0
269.10608	37.7
270.45438	1.6
278.38647	1.6
281.10574	1.6
283.12201	10.4
287.11801	2.2
292.12183	2.1
293.10587	18.8
296.14859	2.4
297.10071	3.2
311.11658	35.3
318.50665	2.2
323.11713	3.8
325.13184	3.2
334.13193	2.1
371.13327	3.6
374.44052	1.7
389.15015	1.7
413.16449	10.8
457.14856	100.0
457.23956	18.1
458.14844	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46587	1.2
51.32603	1.1
54.13078	1.0
56.96563	12.7
70.06555	1.3
71.59423	1.9
71.59781	1.5
71.95246	1.8
72.57233	1.3
75.44795	1.2
79.05481	1.4
81.07062	1.9
84.08140	1.5
84.96030	15.1
85.02875	1.4
91.05478	1.5
93.07034	3.2
98.97580	71.7
102.52404	1.1
102.97060	2.1
105.07008	2.0
107.08583	2.9
110.14750	1.1
110.97549	1.6
112.99113	9.9
116.98615	53.0
116.99445	2.5
120.08067	1.5
121.06451	1.5
127.03841	1.2
128.98575	3.7
131.00171	24.2
133.10130	1.6
134.98643	1.9
134.99648	24.2
135.11717	1.5
136.67781	1.6
140.00191	2.2
140.98558	1.8
144.98106	2.5
146.99635	2.5
149.01222	19.6
153.00662	2.3
158.01239	2.0
158.99646	17.6
162.99107	3.1
167.02228	2.6
172.02837	1.4
173.01218	17.0
176.97118	1.2
177.00714	39.8
181.05142	1.6
186.75795	1.2
191.00597	2.3
191.02252	22.8
191.14325	3.0
193.05022	2.6
194.05269	3.2
195.01767	4.8
195.05420	1.5
197.04793	1.7
200.02301	1.8
200.79443	1.2
201.00790	5.5
203.05313	1.5
204.10777	1.2
205.85149	1.2
209.11792	1.5
219.01733	13.4
231.01834	1.8
233.03268	2.2
237.02736	2.4
251.09549	23.4
255.09100	2.2
265.11069	5.7
269.10580	38.1
277.17719	5.1
280.54709	1.2
281.10571	2.0
282.06384	1.1
283.12213	7.8
287.11411	1.9
292.12286	1.8
293.10590	13.7
295.04776	1.2
296.14981	1.2
311.11627	29.7
323.11591	4.4
325.13135	3.9
331.18732	3.0
353.12561	2.0
371.13477	9.1
389.15030	2.4
413.14951	11.3
439.13550	1.4
457.14688	100.0
457.23993	68.8
458.15042	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33759	0.1
53.03937	0.2
55.01860	0.2
55.05508	0.3
60.04509	0.1
67.05511	0.2
68.99773	0.3
69.03420	0.6
69.07055	0.3
69.96234	0.3
69.96638	0.7
70.06586	1.8
70.55056	0.2
72.08141	0.6
73.02904	0.2
78.28207	0.1
79.05503	0.3
81.03410	0.7
81.07059	0.2
83.04974	0.2
84.04498	0.4
84.08130	0.6
85.02896	0.7
86.09692	1.1
87.00820	0.3
91.05470	0.3
93.07033	0.5
95.01331	0.3
95.04966	0.3
97.02908	0.4
98.21424	0.2
99.04410	0.3
102.05528	0.2
105.07017	0.3
107.04939	0.2
109.02855	0.4
109.06519	0.2
110.07144	0.4
111.04412	0.2
116.07070	0.3
120.08092	0.2
121.10136	0.3
123.00786	3.6
125.65211	0.2
127.03907	0.4
133.10100	0.2
135.04410	0.3
136.07581	0.2
141.01828	0.8
145.04884	0.2
146.04498	0.2
147.04366	0.2
149.02344	0.2
149.05957	0.3
149.09633	0.7
150.12782	0.8
153.05371	0.2
163.03893	1.8
169.01266	0.2
191.03389	3.5
191.14311	0.3
194.02094	0.2
195.81335	0.1
209.04437	100.0
210.04742	2.0
210.06566	0.2
210.14752	0.2
245.03406	0.2
270.11746	0.1
275.18417	0.1
295.16415	0.6
300.18292	0.1
356.09250	0.1
371.16681	0.3
395.22495	0.4
413.17825	1.2
457.10397	0.2
457.16702	2.4
457.23773	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01855	0.8
55.05502	0.4
56.05030	0.3
57.03434	1.0
58.06585	0.2
61.02921	1.2
67.05515	0.3
68.99781	0.8
69.03425	6.6
69.07051	0.3
69.73058	1.5
70.06590	2.4
71.04971	0.9
72.08150	1.1
73.02905	1.3
79.05468	0.3
80.23532	0.2
81.03415	4.6
81.07040	0.3
83.01315	0.7
83.04933	0.2
84.04488	0.4
84.08128	0.7
85.02898	10.3
86.09709	1.2
87.00830	2.8
87.04446	0.5
91.05472	0.8
93.07005	0.5
95.04980	0.3
95.08574	0.2
96.13313	0.2
97.02882	3.0
98.97593	0.4
99.04459	1.7
102.05517	0.2
103.03922	0.8
105.01855	1.6
107.04916	0.3
109.02210	0.3
109.02881	4.1
109.06560	0.2
109.10175	0.2
110.07171	0.3
111.04417	0.3
115.03857	0.2
116.07118	0.2
116.98620	0.3
118.08368	0.2
119.04896	0.4
120.08120	0.5
121.02831	0.7
123.00800	1.5
123.04453	0.3
124.07558	0.2
127.03905	6.5
129.01842	0.7
129.10216	0.6
131.08673	0.3
133.10107	0.3
134.99669	0.3
135.04384	0.4
136.88257	0.2
139.03923	0.5
141.01823	0.3
145.04942	1.8
146.04506	0.3
147.02840	0.5
147.04362	0.8
149.02313	0.6
150.12794	0.3
153.01816	0.7
153.05499	0.5
159.02869	1.8
163.03900	12.4
163.14594	0.2
164.04077	0.2
165.01846	0.3
177.07742	0.2
178.08046	0.2
179.03290	1.1
181.04977	0.3
187.05989	0.4
191.03421	2.3
191.14313	0.4
192.04161	4.9
193.04964	0.6
197.12987	0.3
202.08141	0.2
204.22081	0.3
205.04971	0.4
207.02884	0.4
209.04433	100.0
210.04720	1.7
213.03862	0.3
217.87350	0.2
229.15512	0.4
231.04945	0.9
233.04530	0.3
237.11060	0.3
237.13403	0.3
277.14130	0.5
295.15317	0.4
321.18771	0.3
331.78320	0.2
371.09744	3.0
371.16650	0.3
394.22165	0.4
395.22488	1.4
413.17862	2.1
439.08664	0.4
439.25183	0.3
457.09738	1.7
457.16461	3.7
457.20956	2.3
472.92725	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.01853	0.5
55.05504	0.2
57.03413	0.4
61.02908	0.4
68.99780	0.4
69.03423	3.4
69.07071	0.2
69.54018	0.4
69.54442	0.5
70.06590	1.1
71.04989	0.4
72.08147	0.6
72.48513	0.1
73.02921	0.7
79.05466	0.4
81.03413	3.4
81.07031	0.4
83.04953	0.2
84.04482	0.4
84.08124	0.4
85.02900	4.4
86.09711	1.1
87.00826	2.2
87.04457	0.2
87.10005	0.1
88.44827	0.1
89.83021	0.1
91.03928	0.2
91.05483	0.4
93.07037	0.3
95.01315	0.3
95.04967	0.2
95.08591	0.2
97.02891	2.3
98.97593	0.1
99.04440	1.1
99.08038	0.1
102.05547	0.3
103.93289	0.1
105.01865	1.2
105.07025	0.3
107.04953	0.2
107.08583	0.2
109.02875	2.4
109.06528	0.4
110.07151	0.2
116.07050	0.1
116.98597	0.2
117.01823	0.4
120.08096	0.2
121.06535	0.2
121.10120	0.2
123.00785	3.0
127.03918	3.2
127.08689	0.2
129.01857	0.1
129.10208	0.2
130.04996	0.2
133.06458	0.1
133.10056	0.1
135.04436	0.2
139.03932	0.1
141.01787	0.6
142.08578	0.2
145.04941	0.9
147.02873	0.3
147.04388	0.1
147.07693	0.1
149.09615	0.2
158.99574	0.2
159.02852	1.2
163.03911	1.6
179.03384	0.3
187.10762	1.0
191.03398	2.9
191.14355	0.3
208.03746	0.2
209.04439	100.0
210.04770	2.4
213.03992	0.2
215.10257	0.5
229.15384	0.2
231.05074	0.7
237.02824	0.3
284.46509	0.1
295.16391	0.3
315.18970	0.2
352.40994	0.1
358.86057	0.1
371.09683	0.3
371.16827	0.2
413.17978	0.7
457.09717	1.4
457.16614	1.6
457.23880	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.1
57.06818	1.4
57.07073	16.1
58.06602	1.0
59.11880	0.8
67.05498	2.4
67.14842	0.8
68.04995	0.9
69.07057	1.6
69.35722	2.1
69.36139	6.3
70.06594	11.8
71.08630	9.3
73.02908	1.1
75.05748	0.9
81.07066	2.4
83.08605	2.5
85.10170	2.6
88.07634	21.1
93.07051	1.2
95.08593	3.1
100.17123	0.9
102.09176	14.0
109.10159	1.0
158.59853	0.8
191.52579	0.9
200.20090	52.1
201.20488	1.1
218.21164	3.8
227.20015	1.2
250.21503	0.9
283.26303	54.2
284.26651	1.9
456.44113	100.0
457.35037	30.9
457.44202	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	456.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01867	3.4
55.05503	2.4
56.96555	3.0
57.03433	2.8
57.07071	14.1
59.05000	100.0
61.02915	1.2
66.96176	1.3
69.03417	9.7
69.07061	1.8
70.06587	1.6
71.04994	1.2
71.60072	1.9
73.02913	1.6
75.02805	1.1
79.05487	2.4
81.03403	6.3
81.07049	3.8
83.04971	1.5
84.08140	1.3
85.02900	17.7
85.06490	1.2
86.09661	1.1
87.00827	8.7
91.05461	4.2
93.07036	2.0
95.08624	1.8
97.02882	8.4
97.10162	2.3
98.97542	1.8
99.04462	2.8
105.01843	5.6
105.07011	2.5
107.04965	1.8
107.08613	1.3
109.02872	5.6
115.11202	29.1
116.98629	1.6
117.01844	1.2
117.07014	1.3
117.09113	2.0
119.04966	1.7
121.06451	1.2
121.10127	1.9
127.03901	8.4
129.01775	1.1
133.10178	1.6
133.51862	1.3
133.53035	1.2
134.99669	1.2
145.04979	4.4
151.07538	2.0
155.91937	1.0
159.02945	2.3
163.03932	2.2
167.07082	3.4
173.09645	1.3
173.15367	5.5
179.07091	2.3
180.07791	1.2
191.16425	51.1
207.06548	1.3
210.08923	1.1
227.02312	1.2
231.05014	1.4
255.11237	1.1
290.35434	1.1
347.11221	1.1
376.60968	1.2
393.12759	1.4
399.12607	3.1
399.62796	1.3
403.00705	1.1
408.13196	2.6
408.63626	1.4
426.14337	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.01870	3.5
55.05500	1.1
55.83480	0.7
56.96565	1.3
57.03433	2.5
57.07073	15.3
59.04997	100.0
59.58932	0.6
61.02924	1.5
63.77291	0.6
65.67664	0.6
67.05492	1.3
68.99793	1.3
69.03426	9.4
69.51771	1.2
69.52173	4.6
70.06595	1.1
71.04987	1.5
73.02909	6.5
75.12774	0.7
77.06033	0.8
79.05489	1.1
81.03412	7.7
81.07058	2.0
84.08153	0.8
84.64949	0.8
85.02901	26.1
86.09699	1.0
87.00822	10.5
88.31390	0.7
91.03951	0.7
91.05490	3.4
93.07051	1.4
95.05000	0.8
95.08621	0.8
97.02892	8.3
97.10174	1.2
99.04449	4.3
105.01846	9.8
105.07021	1.5
107.04984	2.7
107.08643	1.1
109.02853	6.5
115.05482	1.4
115.11204	28.2
115.12000	1.5
117.01881	1.4
117.07055	2.6
117.09149	2.4
119.08613	1.5
121.06529	0.8
121.10151	1.0
127.03908	12.4
127.04784	0.8
128.06201	0.7
129.01814	1.2
129.06947	0.8
129.10457	0.7
131.08556	0.8
133.10123	1.0
145.04973	6.0
145.06529	2.2
145.10159	0.7
149.09708	0.7
159.02946	3.4
163.04044	1.0
165.09097	0.8
167.07083	0.8
173.03026	0.7
173.09641	1.4
173.15347	5.9
177.05563	0.7
191.16412	50.7
227.10812	0.7
231.05135	2.8
393.12833	1.0
416.76822	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01852	0.7
55.05514	3.5
56.05018	0.9
56.96571	0.7
57.03431	2.1
58.06590	3.1
60.04491	0.6
61.02908	1.2
63.23311	0.5
64.63644	0.6
65.03926	1.7
69.03425	5.1
69.07054	1.1
70.06592	8.2
71.04964	0.8
72.08154	2.8
72.93771	1.9
73.02919	0.6
73.06548	3.5
74.06075	0.7
74.18408	0.5
76.07645	8.7
78.75983	0.5
79.05480	1.0
79.40823	0.5
81.03418	3.1
81.07025	1.3
83.01332	0.8
83.04992	1.0
84.04498	1.1
84.08134	3.9
85.02905	6.7
86.09708	4.9
87.04484	0.6
88.07628	0.6
90.94809	1.9
91.03941	0.6
91.05476	19.0
92.05805	1.5
93.07038	1.0
94.06533	0.9
95.06075	0.6
95.94053	0.5
97.02895	4.1
97.06553	0.6
98.52441	0.6
99.04459	1.3
99.05568	0.8
99.08096	1.2
100.07574	0.8
102.05574	0.8
102.65291	0.6
105.07045	0.6
108.95854	1.3
109.02851	1.3
109.06506	0.7
110.07173	1.6
116.07005	1.0
116.98633	0.6
117.09136	6.5
119.04932	17.8
119.07304	3.3
120.08107	1.4
121.02855	1.1
123.00766	0.6
124.07613	0.7
127.03905	2.2
127.07530	0.5
129.10245	1.4
130.12288	6.8
131.04883	0.5
132.95837	2.1
134.06026	0.9
135.04346	0.8
136.07570	0.6
137.05978	0.7
139.03891	1.1
144.95761	1.4
145.04955	1.1
146.04500	1.0
146.97418	0.7
147.04402	72.6
148.04698	0.9
148.13310	100.0
148.99028	0.8
149.02312	0.6
149.13615	0.9
150.96866	1.4
158.97392	2.4
162.96881	1.8
163.03909	3.6
163.07310	0.9
163.09753	0.7
171.11421	0.9
174.96844	2.2
176.98419	1.9
180.13774	0.8
181.12381	0.5
181.14133	0.8
183.14899	0.6
186.96855	2.1
191.03346	1.1
192.81378	0.6
192.99460	0.9
193.05003	1.0
198.96944	0.9
200.04663	0.7
204.97913	0.9
207.01016	1.0
208.06218	0.6
209.04440	44.9
215.07030	1.2
216.07253	1.6
216.97945	1.0
219.10210	0.6
232.97424	0.9
234.13213	0.8
234.98907	3.8
237.02827	1.0
246.08604	0.6
246.11290	2.4
247.08849	0.5
253.00027	0.7
254.11679	1.2
258.13272	0.7
262.29370	0.6
264.91467	0.6
269.12881	1.5
294.17001	47.1
295.06027	1.9
295.17361	0.9
307.02728	0.8
307.06076	1.3
310.18542	9.4
315.13321	4.5
324.04086	0.8
325.03644	17.2
325.07101	5.9
326.04352	0.8
326.17929	1.0
337.07047	2.4
348.04675	0.6
351.08563	1.7
366.06491	0.8
379.07953	4.0
391.07932	1.4
403.08173	0.9
409.08905	0.7
413.17908	1.0
421.09161	1.2
424.21356	0.8
428.21829	1.5
436.17676	0.6
438.17303	0.6
439.10101	2.0
441.10721	0.8
456.15939	1.1
456.22324	2.9
457.10754	2.6
457.16830	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	456.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23201	0.5
53.03943	1.6
53.23669	0.5
55.01871	4.3
55.05509	1.2
56.96549	0.9
57.03437	4.0
57.07070	11.9
59.04996	100.0
61.02920	2.7
65.03938	0.5
65.64000	0.5
67.05510	1.5
68.99796	1.7
69.03427	12.9
69.07064	1.0
70.06596	1.3
71.04995	1.8
71.59122	0.6
72.08176	0.6
72.26154	0.5
73.02915	9.3
79.05492	2.0
81.03412	10.9
81.07066	1.9
83.04971	1.3
83.08625	0.5
85.02898	31.8
86.09710	1.9
87.00823	11.3
91.03963	1.4
91.05479	6.2
91.14423	0.5
93.07064	1.6
95.04971	1.5
95.08614	1.0
97.02881	11.1
97.10172	1.0
98.97619	0.9
99.04455	4.7
101.09726	1.0
103.05488	1.0
105.01859	12.3
105.06998	3.1
107.04946	3.3
107.08594	1.1
109.02871	9.5
109.06537	0.8
109.10172	0.8
111.04446	0.7
115.03988	0.6
115.05470	2.5
115.11199	30.8
117.01868	1.1
117.07005	4.5
117.09164	2.3
119.08595	2.6
120.08096	0.6
121.06551	1.1
123.11777	0.6
125.05990	0.7
127.03907	16.7
127.04789	0.9
128.06281	2.6
129.01866	1.6
129.07036	2.5
131.04915	1.1
131.08630	1.0
133.06461	0.7
133.10144	0.8
135.08037	0.7
141.07028	1.1
143.08679	1.0
145.04935	6.5
145.06415	2.9
145.10162	1.4
149.06050	0.8
153.06990	0.7
155.08559	1.0
157.06499	0.6
159.02870	5.3
159.08167	1.0
160.19087	0.6
161.06059	0.9
163.03935	1.7
165.07062	0.6
167.02283	0.6
167.07098	1.0
173.09735	1.9
173.15384	6.1
175.07738	0.6
179.07025	0.5
189.04053	0.9
191.10762	1.9
191.16408	52.3
193.05023	0.6
202.20119	0.6
213.03937	0.9
215.10730	1.1
227.10823	0.6
231.05095	2.5
249.06100	0.9
249.77586	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.1
54.68297	2.0
55.05515	17.6
57.03436	14.1
57.07054	2.3
65.03959	3.8
67.05503	61.0
69.07071	18.6
70.12856	11.5
77.00874	2.5
79.05492	33.4
80.67107	2.1
81.03410	4.5
81.07054	54.1
83.05005	3.3
83.08618	6.8
85.02912	2.7
91.05475	20.1
93.07045	36.8
95.04984	5.5
95.08604	40.2
95.09154	3.4
97.06532	2.8
105.07037	13.3
107.08574	16.0
109.10150	17.3
117.07006	3.7
119.08602	5.5
120.96637	77.2
121.10134	12.7
123.11710	4.8
131.08553	5.5
131.21892	2.3
133.10106	3.7
135.11696	5.3
138.97694	4.6
145.10182	3.6
147.11726	3.3
149.02951	4.7
156.97493	14.9
159.11690	3.3
172.95242	2.7
174.98529	42.6
190.96330	4.2
195.00328	9.8
198.00171	3.0
210.99600	2.4
213.00119	34.1
231.01245	7.1
236.01819	4.6
269.12537	2.7
301.20282	7.8
307.12198	4.0
317.19730	4.3
319.21185	10.3
335.25787	100.0
357.23944	35.6
399.17877	4.4
404.06659	2.8
437.19940	11.8
446.23660	2.6
455.21384	83.6
456.21899	4.0
473.19986	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10588	0.4
55.05511	1.5
56.96558	0.9
57.03437	0.5
67.05505	1.0
68.74880	0.4
69.03427	1.6
69.07063	0.7
70.06582	2.0
71.26429	0.9
77.00880	0.4
79.05492	1.4
80.65942	0.4
81.03415	1.3
81.07050	1.2
83.04984	0.7
83.08587	0.4
84.04475	0.5
84.08141	0.8
85.02920	2.4
86.09685	1.9
87.00831	0.7
91.05466	1.3
93.07053	1.5
95.04961	1.1
95.08617	1.2
97.02907	1.0
97.06534	0.5
98.97559	0.4
99.04423	0.6
100.11246	0.9
105.07030	1.5
107.04958	0.9
107.08569	1.6
109.02901	0.8
109.06539	1.0
109.10173	0.6
111.04485	0.4
115.02390	0.5
116.07091	1.0
116.98651	0.4
117.07002	0.5
119.01934	0.6
119.08578	1.1
120.08119	0.5
121.06540	0.4
121.10128	0.8
127.03925	1.2
129.10289	0.3
131.08607	0.8
133.10162	0.6
135.11731	0.5
137.09636	0.6
143.02014	0.6
143.03130	0.8
145.06253	0.4
145.10117	0.7
147.04387	0.5
147.11671	0.7
161.02959	0.6
161.09608	0.5
165.12799	1.8
177.05453	0.4
188.10669	0.8
189.12669	0.5
193.04955	1.8
203.05270	6.4
207.13869	0.8
231.13599	2.5
249.13335	0.9
251.11191	0.7
267.14426	1.1
269.12469	2.2
275.12643	1.3
285.15344	0.9
293.13605	16.8
294.13535	0.6
311.13336	1.5
335.13205	0.9
411.19675	1.1
452.13455	0.4
454.77560	0.5
455.18835	100.0
456.19022	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	455.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
54.05466	0.1
55.05504	0.5
57.03416	0.1
59.04985	0.3
67.01874	0.5
68.99765	0.5
69.03431	0.5
69.07048	0.1
70.06622	0.5
70.07105	0.3
71.04960	0.1
71.73436	0.1
72.08143	0.2
73.85909	0.1
79.05493	0.2
81.03418	0.7
81.07042	0.2
83.04981	3.5
83.63744	0.1
84.08148	0.2
84.50680	0.1
85.02911	1.1
86.09710	0.9
91.05465	0.3
93.07048	0.2
95.04976	0.2
95.08599	0.2
97.02903	0.7
98.97595	0.1
99.04481	0.2
101.06008	0.1
105.07035	0.2
107.04909	0.2
109.02903	0.6
116.07079	0.3
119.04916	0.3
119.08626	0.1
121.10147	0.2
125.05993	0.8
127.03924	0.9
133.10065	0.1
135.04430	0.1
135.11707	0.1
145.04956	0.3
145.10092	0.1
147.04411	0.7
151.03908	0.5
153.01823	0.3
165.05400	0.1
169.04955	0.4
169.53325	0.1
175.03918	0.4
187.05998	0.4
193.04964	100.0
194.05287	1.4
199.18019	0.2
207.06488	0.6
227.09097	0.4
227.17523	0.3
229.15453	0.1
235.05917	0.1
245.10236	0.4
390.90833	0.1
437.14362	1.3
455.14850	0.2
455.23254	0.5
460.07187	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	455.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
70.33783	0.9
70.34178	1.3
94.93005	2.8
96.92829	0.4
112.89601	73.7
114.89342	3.3
138.96355	0.4
139.20245	0.5
161.02885	0.6
166.17451	0.4
204.98645	0.5
205.81807	0.5
206.88629	0.6
212.85219	0.8
232.92249	1.3
248.89604	2.8
293.06308	0.6
306.85233	0.8
361.08026	0.6
381.07980	0.7
450.56882	0.5
455.11606	100.0
455.88889	0.6
456.11972	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	454.2928
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
51.74775	0.5
55.05514	3.3
57.03436	8.0
57.07075	27.5
65.68192	0.5
67.05504	6.0
69.03425	0.7
69.07067	4.5
71.08630	19.8
71.59727	0.7
72.58121	0.5
73.02892	0.8
76.01815	0.5
79.05501	0.5
81.07056	7.7
83.08614	5.1
85.02881	0.6
85.10180	10.5
89.06026	3.7
93.07025	0.6
95.08607	9.5
97.10168	2.5
103.07570	1.4
109.10154	5.1
118.99354	0.6
123.11710	2.3
132.31917	0.6
133.08626	0.8
137.13219	0.7
216.06322	0.7
239.23744	1.6
255.35631	0.5
257.24774	1.7
282.27869	3.8
296.28928	0.7
313.27356	100.0
314.27698	2.4
315.11325	0.5
431.21884	0.6
454.33969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2925
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05513	2.9
56.87130	0.4
57.03433	3.6
57.07074	20.8
59.04984	0.3
62.06086	24.3
62.77407	0.3
65.04089	0.3
67.05498	4.4
69.07063	3.4
70.86483	1.2
71.08628	15.2
79.05481	0.6
79.53372	0.4
80.69231	0.4
81.06643	0.5
81.07054	6.3
83.08606	3.9
85.09711	0.7
85.10178	9.2
89.06019	1.5
90.95907	0.4
95.08041	0.7
95.08601	8.3
97.06538	0.4
97.10166	2.3
98.97537	0.4
98.98465	5.0
99.11700	0.8
103.26855	0.4
104.17374	0.4
107.08583	0.8
109.10135	3.5
110.22027	0.4
116.99474	0.4
118.17244	0.4
123.11700	1.2
124.01588	1.6
125.13337	0.4
137.13257	0.9
142.02634	1.1
155.01038	6.3
170.42239	0.4
172.95184	0.7
173.02034	0.6
198.05289	1.7
215.42929	0.4
216.06340	3.0
223.25035	0.4
232.01466	0.4
239.23622	1.9
240.13301	0.4
282.27911	11.5
285.09903	0.5
313.27341	100.0
314.27695	1.6
317.17917	0.5
349.15906	1.6
351.75333	0.4
393.23959	5.8
436.28116	1.8
454.28925	0.7
462.29037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.01870	9.6
55.05511	6.7
55.45628	0.9
56.96568	1.4
57.03432	11.4
57.07077	2.8
61.02922	6.8
67.05496	9.6
68.99788	2.9
69.03425	28.8
69.07056	5.4
69.60036	1.0
70.06579	3.8
70.61954	2.2
70.62354	2.2
71.04989	23.4
71.08626	21.8
73.02921	6.7
79.05506	2.1
81.03413	28.1
81.07051	4.2
83.04957	1.4
83.08607	8.2
84.04510	3.2
84.08131	1.6
85.02901	76.6
85.06551	1.7
86.09708	4.9
87.00823	32.2
91.03952	2.5
91.05472	2.4
93.07042	1.5
95.04961	2.0
95.08602	2.6
97.02886	32.2
97.06528	7.5
98.97573	5.7
99.04449	12.8
99.08086	30.8
100.11263	10.2
103.07565	1.7
105.01863	39.9
105.07021	2.2
107.08587	2.2
109.02876	27.4
109.10151	42.3
110.07167	2.2
110.10544	1.2
111.04433	1.7
111.08086	1.3
115.03926	1.1
115.49699	0.8
116.98633	3.4
117.01859	3.4
117.07075	1.4
119.08566	1.2
120.08103	1.6
123.04391	1.5
125.05986	1.2
125.42747	0.9
127.03907	62.1
127.11169	11.1
128.07031	1.5
129.01851	2.9
131.08485	1.4
133.06433	1.1
134.99664	1.7
136.07661	1.0
137.04930	1.1
137.05980	2.1
145.04945	21.5
145.12228	100.0
147.02898	2.3
149.01256	1.1
153.12744	3.5
159.02888	15.5
163.03915	3.1
167.05576	1.0
171.13773	13.7
173.02388	1.4
177.00642	2.1
182.15393	2.2
183.15807	1.9
189.04013	2.3
189.14841	29.7
193.04955	54.9
206.11787	1.6
209.16396	2.0
210.14948	4.9
211.13350	2.0
211.15219	1.2
213.03951	4.2
215.07057	2.6
226.19173	0.9
231.04968	13.9
235.13335	2.0
249.06081	2.4
251.09540	1.1
253.14342	2.0
255.89153	0.9
259.09662	6.1
264.06567	3.1
269.10593	2.2
274.04956	4.5
285.12466	1.4
292.06006	19.2
339.14438	1.9
357.15414	2.8
375.16391	1.9
444.83981	1.4
453.84399	1.1
454.34369	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.4
55.05511	4.0
56.05021	2.3
57.03423	3.7
57.03700	0.8
61.02930	1.0
65.03928	1.4
65.81831	0.8
67.05489	1.9
68.05007	1.3
69.03426	4.3
69.07021	1.1
69.69188	5.9
70.06313	0.8
70.06593	8.7
71.07371	1.1
72.04504	3.7
72.08140	2.8
74.06075	1.1
79.05424	0.8
81.03437	1.9
83.04971	3.1
83.06099	3.1
84.04507	1.4
84.08128	6.8
85.02896	4.4
85.06522	2.2
86.06059	7.9
86.09683	3.7
89.03918	1.7
91.05481	4.5
93.04521	2.5
95.04964	2.1
95.06109	0.9
96.08118	1.2
97.02893	2.2
98.97572	0.8
100.07600	1.8
101.08399	8.3
107.04955	1.8
109.02896	1.4
110.07157	19.7
111.04456	1.3
115.05434	0.9
117.03353	2.5
119.04937	2.2
119.83169	0.8
120.08068	0.9
121.90156	0.8
122.05999	0.9
123.04411	1.0
124.07579	1.2
124.96126	0.8
128.06195	0.9
129.10199	1.2
130.06549	1.2
131.04927	1.8
131.08534	1.5
133.02846	2.4
135.04427	6.1
136.07520	1.1
138.09119	1.0
141.06956	1.3
142.67546	1.0
145.02869	3.8
145.06415	1.2
147.04373	7.7
152.07065	0.8
157.06429	1.1
159.04416	6.0
159.08003	1.6
160.04037	0.9
160.07578	2.0
161.02350	6.3
162.03149	1.6
163.03897	16.6
169.06467	3.8
171.08163	1.5
173.02287	6.6
173.05914	1.1
175.03914	2.8
179.03391	1.4
185.05940	3.2
187.03909	3.3
187.07587	4.2
189.05325	1.2
191.03412	7.0
194.08005	1.0
195.08730	1.3
197.06003	2.7
199.07507	1.8
200.04683	2.3
201.05455	8.5
203.03401	1.2
205.04913	1.7
214.08647	2.1
215.07010	36.6
217.08609	1.7
219.06531	27.4
227.06982	4.4
228.10144	2.5
229.10590	1.4
232.09647	3.9
233.08139	1.0
244.09560	1.1
245.08076	100.0
246.11003	1.8
246.13297	1.3
247.11586	1.1
262.10641	5.5
274.10550	2.3
275.14645	1.1
291.13281	4.7
292.14200	10.9
347.11594	0.9
365.08536	3.2
379.10077	1.2
393.11819	9.5
419.13245	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57140	1.2
53.03957	1.5
55.01861	2.0
55.05510	5.0
56.05024	4.2
57.03436	5.3
61.02915	1.3
67.05498	5.1
68.05041	2.5
69.03414	7.9
69.07064	2.4
69.73201	8.7
70.06590	14.2
70.20853	1.2
71.05004	6.2
71.05317	1.4
71.07365	2.6
72.04519	5.1
72.08141	7.2
79.05495	1.6
81.03399	3.9
81.07092	1.4
82.06568	5.1
83.04958	6.1
84.04495	2.9
84.08140	14.0
85.02898	7.5
85.06538	2.2
86.06055	10.8
86.09699	7.0
89.03915	1.7
91.05477	12.7
93.07033	2.4
94.06599	1.6
95.04992	2.6
95.08617	2.8
97.02891	5.1
97.06526	8.9
98.06062	1.6
98.97613	2.8
99.04435	2.5
100.07633	6.1
101.08389	11.4
103.05459	1.4
107.04960	1.9
107.08625	2.0
109.02886	2.3
110.07162	5.2
111.04446	2.3
112.53444	1.3
115.05477	2.0
116.98635	3.6
117.03360	2.5
119.04939	3.4
120.08095	3.5
122.06039	3.5
122.42669	1.2
124.07599	3.0
128.06235	1.9
129.06931	1.2
129.10234	3.2
131.04948	4.1
131.08542	2.8
133.02873	3.2
135.04417	6.2
135.11717	3.4
138.05379	1.5
138.09129	1.8
141.06996	4.2
142.08630	29.2
144.05667	2.2
145.02869	4.5
145.06473	2.3
147.04428	10.7
153.12737	2.9
157.06432	1.4
159.03215	1.3
159.04376	6.8
159.08109	2.1
161.02301	5.9
162.05536	3.6
163.03912	17.6
169.06517	5.8
171.08044	1.3
171.13805	9.9
172.03952	1.4
173.02357	9.0
173.06026	2.6
175.04013	2.2
175.07480	1.3
177.05486	1.6
181.06609	1.9
185.05977	2.1
187.03922	2.5
187.07547	8.7
189.05458	2.8
191.03409	7.6
191.04836	1.6
193.05031	4.3
197.06024	6.1
200.04713	4.8
201.05470	11.2
201.11005	1.5
205.04893	1.9
214.08650	5.1
215.07022	62.1
218.07126	1.1
219.06519	23.9
227.06993	6.1
227.11731	2.1
228.08434	1.5
229.10518	2.5
232.09709	12.4
233.08131	2.0
243.11150	1.5
244.12006	1.5
245.08084	100.0
246.08411	1.9
246.13290	1.6
253.09758	1.5
255.11374	2.3
262.10690	16.4
263.08728	1.6
273.12201	1.5
274.12854	3.6
275.11130	3.0
280.03964	1.4
291.13397	12.6
292.13718	30.0
346.14697	1.4
347.11295	4.5
365.08670	2.1
369.08200	1.5
391.78375	1.5
393.11676	10.9
419.13364	2.3
436.17899	1.5
437.14722	1.8
454.20657	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	453.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56538	6.3
53.03924	9.2
55.01867	7.4
55.05503	43.1
56.96558	9.4
59.08858	5.7
59.47486	6.2
67.05499	28.3
69.03416	49.5
69.07063	27.4
70.06195	5.3
70.06589	24.8
70.16234	29.6
71.04987	16.6
72.08166	9.1
73.02912	7.3
79.05482	29.0
80.05025	33.2
81.03412	29.2
81.07047	64.6
83.04987	13.2
83.08615	21.1
84.04516	6.3
84.08138	13.7
85.02899	24.6
85.06537	7.6
86.09704	23.8
91.05474	22.7
93.07037	36.3
94.06580	7.6
94.50524	5.6
95.04964	20.1
95.08593	49.0
97.02897	10.4
97.06516	23.5
97.10181	16.7
98.21415	9.5
98.97568	7.7
99.04447	24.4
100.11253	47.0
104.04980	7.6
105.07008	33.1
105.55621	8.0
106.06529	25.4
107.04996	5.9
107.08575	29.7
109.02880	8.8
109.10160	35.7
110.07167	13.9
111.04424	9.6
116.98634	7.9
118.06544	28.8
119.08594	27.4
120.08096	22.3
121.06468	12.6
121.10152	27.9
123.11714	10.9
125.09684	8.3
127.03932	16.8
131.08543	8.0
133.10129	14.8
134.99628	9.1
135.11664	14.9
136.07590	8.1
137.06010	8.7
137.13318	7.1
138.32051	6.9
139.11160	6.0
143.08607	8.9
145.10115	18.3
146.04449	15.9
146.06047	8.4
147.04390	6.9
147.11678	16.9
153.12674	7.3
159.11729	25.1
161.06058	7.7
161.13205	7.7
163.03944	8.6
163.11186	6.1
165.05482	7.0
165.09128	10.5
167.06982	6.5
173.13272	9.0
182.15440	15.4
184.07330	22.4
185.07709	6.6
192.06451	7.4
192.13817	33.9
193.04994	17.3
205.04965	24.8
208.06201	8.1
209.16586	13.8
210.14902	61.3
230.15413	20.1
246.14854	8.6
247.09743	10.3
248.16472	36.0
255.15103	5.8
256.13141	7.9
257.12338	7.1
260.10074	7.8
273.15991	7.7
274.14285	45.1
291.12460	11.9
291.16968	23.3
292.15347	20.7
303.23065	12.5
317.07562	5.8
319.16528	11.0
320.14868	12.7
337.17657	23.4
338.16034	7.3
355.18597	100.0
453.16891	13.0
453.20953	11.3
453.28287	14.8
453.34131	30.4
453.84454	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	453.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50383	0.3
53.03934	1.9
55.01885	0.4
57.03455	0.4
58.32603	0.4
65.03947	0.4
67.05504	4.5
69.03415	0.8
69.72839	2.4
70.06582	1.2
71.04978	2.3
71.47876	0.3
77.03936	0.4
79.05500	1.1
80.04971	0.5
81.03413	0.9
81.07059	2.9
81.40912	0.4
82.07400	0.5
84.04488	0.6
84.08122	0.8
85.02908	0.8
86.09721	0.8
91.05474	2.3
93.07050	1.4
94.06568	3.9
95.04977	1.3
95.08609	0.6
97.02885	0.6
97.06491	0.5
105.06989	0.4
107.08586	0.5
108.08116	1.3
109.02885	0.5
110.07155	0.6
113.03185	0.3
115.05598	0.3
116.98627	0.3
119.05079	0.3
119.08585	1.4
120.08125	0.5
121.37011	0.3
122.06019	13.7
123.04475	0.6
126.05476	0.9
129.10303	0.5
133.04974	0.5
136.07570	72.8
137.05933	0.7
137.07918	0.7
140.07076	2.5
146.04491	0.5
147.04414	0.5
164.07059	100.0
165.05481	0.5
165.07393	1.0
168.06592	0.5
169.12262	1.5
170.12584	1.4
173.13034	0.5
182.08122	5.4
215.07172	0.8
244.09834	0.5
250.10721	1.5
258.11292	0.8
278.10217	38.1
285.12256	0.6
286.10855	0.7
292.95056	0.4
296.11279	42.8
303.13489	0.5
314.12292	11.6
453.17053	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01871	0.7
55.05500	1.3
56.05018	0.6
56.96553	1.0
57.03437	2.3
60.04506	0.7
61.02909	1.6
65.03927	1.2
67.05499	3.5
68.05025	0.5
69.03422	7.7
69.07055	1.0
70.06587	6.3
71.04976	1.3
71.58885	0.7
72.08143	3.1
73.02908	1.4
76.12117	0.5
79.05476	1.5
80.05009	1.0
81.03412	3.6
81.07049	1.3
82.06561	1.0
83.01365	0.7
83.04960	1.0
83.06148	0.6
84.04494	1.4
84.08145	3.0
85.02406	0.9
85.02891	8.6
86.09695	3.8
87.04441	1.4
91.03948	0.5
91.05493	3.2
93.03349	0.6
93.07058	1.3
94.06574	4.0
95.04958	1.5
95.08575	0.6
96.04481	0.5
96.08124	0.8
97.02885	3.9
97.06534	0.9
98.06050	0.6
99.04469	0.6
102.05479	0.5
103.50117	0.5
105.07007	0.6
107.04962	1.2
108.04482	0.6
109.02847	2.1
109.06474	0.7
110.06030	1.2
110.07153	1.9
111.04431	0.7
116.07072	0.7
116.98656	0.6
118.06494	0.5
119.04951	2.2
119.08587	1.1
120.08074	1.8
121.06519	0.6
122.06024	13.2
124.07565	3.4
127.03911	2.5
129.10234	1.5
130.06537	0.5
131.08485	0.6
135.04355	0.6
136.03917	1.9
136.07590	1.9
137.02344	1.4
137.05997	1.3
138.05463	0.6
138.09140	4.9
140.07063	4.6
142.08676	0.8
144.08138	0.6
145.04965	1.1
145.06497	0.7
146.04468	0.6
146.06015	0.6
147.04399	7.1
150.05469	0.9
151.11093	0.5
152.07066	1.3
154.04984	5.9
154.08612	3.3
159.04366	0.6
163.03906	2.1
164.07071	1.0
165.05438	0.7
168.06549	0.8
169.12167	0.9
172.11163	0.9
173.09677	0.6
175.12334	0.5
178.05013	0.6
182.09612	0.7
183.09186	0.6
185.08347	0.7
186.09204	0.7
188.10681	1.8
190.12289	0.8
193.04893	0.7
196.05988	1.5
199.08513	0.6
199.12279	0.5
200.10725	3.3
202.08812	0.7
203.08124	0.9
203.11876	1.0
207.06670	0.6
209.07027	0.9
210.09232	0.6
211.65417	0.5
212.09381	1.0
213.10292	0.7
215.06879	2.3
215.11777	1.9
216.10216	1.9
217.09724	0.7
217.13341	1.5
218.11699	1.5
218.97414	0.6
219.06522	0.7
226.07359	1.0
227.08197	2.5
227.11671	2.4
228.10231	11.6
230.08131	0.6
230.10367	0.6
231.11363	0.8
232.09798	0.6
232.12025	1.3
237.02748	0.7
240.08832	0.6
241.09657	1.8
242.10413	4.0
243.11269	5.2
244.09731	1.2
244.12100	2.4
245.08162	3.4
245.12866	9.0
246.11209	4.7
255.11215	4.0
256.09534	1.0
260.11633	1.8
261.07581	2.0
261.12253	1.4
273.12326	13.3
274.10721	4.4
274.14355	1.4
291.13370	100.0
292.13861	1.0
297.09723	0.7
393.11633	0.7
417.17007	0.6
435.17642	0.6
453.12567	0.7
453.17880	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02334	0.4
51.90216	0.4
53.03928	0.8
55.01854	0.8
55.05518	0.8
56.05025	0.5
56.96570	0.9
57.03438	2.1
59.06125	0.8
60.04514	0.8
61.02927	2.4
64.89987	0.3
65.03931	0.8
67.05494	0.7
69.03423	7.5
69.07041	0.8
69.77029	2.0
70.06598	3.2
71.04980	1.0
72.08147	1.5
73.02898	1.4
74.02441	0.6
74.06062	0.3
79.05488	0.7
80.05006	0.7
81.03410	2.9
81.07029	0.7
82.02930	0.6
82.06583	0.7
82.14896	0.4
83.04980	0.9
83.06091	0.6
84.04501	1.1
84.08131	2.6
85.02421	0.6
85.02900	8.6
86.09695	3.2
87.04461	1.2
89.03895	0.4
91.03944	0.6
91.05463	1.0
93.07025	0.6
94.06548	0.8
95.04951	0.9
97.02897	3.1
97.06480	0.4
98.21407	0.6
99.04476	1.6
99.05571	1.1
99.10132	0.4
100.03976	0.4
101.02362	0.4
102.05518	0.7
105.07012	0.6
107.04952	0.5
107.08623	0.5
108.04475	1.0
108.08080	0.4
109.02875	1.9
109.06501	0.4
110.06009	1.0
110.06411	0.4
110.07149	4.7
111.04448	0.7
112.07594	0.5
120.08083	1.3
122.06035	1.5
123.04382	0.6
124.07577	3.3
127.03919	2.2
129.06972	0.8
129.10211	0.8
130.06583	0.4
131.08572	0.3
132.08066	0.5
134.06004	0.5
135.04370	0.4
136.03914	1.1
136.07562	1.5
137.02347	1.9
138.05518	0.4
138.09129	5.3
140.07045	3.6
142.07726	0.4
144.08101	0.6
145.04930	0.9
145.10062	0.5
146.04497	2.1
147.04442	0.7
147.11674	0.3
148.11249	0.4
150.05508	1.0
152.07053	1.2
154.04991	5.4
154.08635	2.8
156.07855	0.4
158.09669	0.4
160.07642	0.7
162.09161	0.4
163.03885	1.1
163.07181	1.2
164.07109	0.6
166.12230	0.4
167.07027	0.4
168.06529	0.7
172.07614	0.7
172.11183	0.8
174.09183	0.6
175.08611	0.4
175.11079	0.6
175.12407	0.7
176.07047	0.4
176.10832	0.5
177.05441	0.8
178.04955	0.6
178.08745	0.4
182.08116	0.5
185.08380	0.9
187.03891	0.5
188.10722	1.1
189.10197	0.6
190.08669	0.7
190.12288	0.5
196.06038	1.4
198.07726	0.6
198.09312	0.5
199.08736	0.5
199.12277	0.4
200.07150	0.4
200.10768	3.4
202.10890	0.4
203.11777	1.4
204.06654	0.4
205.16302	0.4
209.07024	0.4
210.09158	0.7
210.14961	0.7
211.08659	0.5
212.09456	0.6
213.05148	0.3
213.07901	0.7
213.10052	0.7
215.08145	0.4
215.11823	0.9
216.10223	1.4
216.12334	0.4
217.13316	1.5
218.08087	0.5
218.11731	2.0
226.07318	0.7
227.08189	2.5
227.11804	2.6
228.10219	12.4
229.11169	0.6
230.08119	0.4
230.10313	0.6
231.11331	1.2
232.12033	1.0
233.12653	0.4
234.07565	0.4
237.00681	2.1
237.02780	0.4
237.10207	0.5
240.08943	0.8
241.09654	2.1
242.08354	0.6
242.10536	3.1
243.08797	0.5
243.11281	6.0
244.09814	0.6
244.12053	3.1
245.10831	0.4
245.12840	9.3
246.11241	5.9
255.01590	0.9
255.11337	3.8
256.09604	1.2
257.12839	0.4
260.11652	1.0
261.07547	0.7
261.12384	1.2
263.13797	1.0
267.01675	1.4
269.10544	0.4
273.09393	0.8
273.12329	13.0
274.10690	4.7
285.02734	0.4
291.13367	100.0
292.11597	1.1
292.14188	0.5
338.15836	0.5
355.18530	3.3
393.04758	0.4
416.26880	0.4
417.16541	0.4
453.13235	0.6
453.18695	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.4
55.11393	0.3
67.05500	0.5
68.08061	0.3
69.03428	0.6
69.07027	0.4
70.06582	1.1
71.60268	0.4
79.05460	0.3
81.03402	0.4
81.07048	0.6
83.08597	0.4
84.08129	0.3
85.02898	0.5
86.09700	0.5
90.24414	0.3
91.05437	0.3
93.07023	0.8
95.04962	0.4
95.08595	0.5
97.06531	0.3
100.11250	0.7
105.06994	0.5
107.04984	0.3
107.08591	0.8
109.02891	0.4
110.07136	0.3
119.08541	0.4
120.08107	0.9
121.10178	0.4
123.04357	0.4
157.42387	0.3
203.05209	3.5
229.11980	3.5
231.09940	0.5
263.12463	0.4
273.10983	0.9
291.12018	18.9
292.12436	0.3
309.11829	0.4
409.18454	0.7
450.44620	0.3
453.17270	100.0
454.17563	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.00097	0.5
55.05491	1.4
56.96560	0.7
57.03426	0.7
67.05484	1.2
69.03408	1.2
69.07040	0.6
69.80070	3.3
70.06573	2.3
71.04977	0.6
72.08133	0.6
77.00885	0.6
79.05501	1.3
81.03401	1.1
81.07027	1.4
83.04974	0.7
83.06084	1.3
83.08574	0.9
84.04474	0.7
84.08144	1.1
85.02899	1.6
86.09688	1.0
91.05461	2.0
93.07028	1.6
95.04944	1.0
95.08604	1.1
97.02882	1.3
97.06522	1.4
98.97549	0.7
100.11262	5.6
105.07035	3.2
107.04977	0.9
107.08615	1.0
109.02884	0.6
117.07005	0.8
119.01889	1.7
119.08553	1.5
127.03896	0.9
133.10219	0.8
137.03036	0.7
137.05922	0.7
141.10306	0.6
159.11716	0.6
161.02914	1.4
161.13330	0.6
163.03880	1.0
163.07446	0.5
182.15297	1.0
185.04211	1.0
187.14569	0.6
193.05003	0.6
196.61580	0.5
199.65773	0.6
203.05284	6.5
209.16576	1.1
210.14874	1.1
229.11896	0.9
247.13118	0.8
249.09656	1.3
257.12790	1.2
265.12796	0.7
267.10736	2.3
283.14041	0.7
286.10873	0.7
289.12906	0.6
291.11993	14.1
292.11902	0.7
307.13858	0.7
309.11725	1.9
333.11783	2.7
409.18228	4.0
409.22955	0.7
416.16489	0.6
453.17242	100.0
453.34128	4.7
454.17743	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.05515	1.0
59.23258	0.5
66.73909	0.5
67.05479	0.4
69.03443	0.5
69.07024	0.5
69.68576	1.1
69.68979	2.5
70.06584	1.2
81.07048	0.9
83.06087	0.7
83.31212	0.4
83.48173	0.4
84.04484	0.5
84.08125	0.5
85.02894	0.9
86.09683	0.8
91.05474	0.8
93.07014	0.7
95.01954	0.7
95.08591	0.4
97.02884	0.4
100.11242	1.9
105.07014	1.6
107.08570	0.6
119.01897	1.4
119.04913	0.4
119.08598	0.5
121.10146	0.6
123.75522	0.5
131.08618	0.7
137.02933	0.7
143.74057	0.5
161.02948	0.7
174.43993	0.5
185.04283	0.9
203.05273	6.7
209.16537	0.6
210.14977	0.8
223.11794	1.0
229.11974	1.4
247.11746	0.5
249.09752	0.7
257.12854	0.7
258.11349	0.6
265.12726	0.8
267.10794	1.9
273.10928	0.7
291.12048	12.5
309.11932	1.6
314.38721	0.5
333.11877	2.8
351.12854	0.5
409.18286	3.7
435.33179	0.8
453.17261	100.0
453.33948	2.5
454.17554	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	453.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.9
55.05501	5.6
56.05021	5.6
56.96289	3.5
56.96564	62.9
57.03435	2.6
58.06571	3.7
59.06126	30.9
60.04514	4.1
61.03496	2.0
65.03921	4.5
67.05500	7.5
68.10310	2.3
69.03432	16.6
70.06590	13.9
71.59022	2.6
72.06895	4.3
72.08147	5.7
73.02885	2.9
74.06076	6.2
79.05482	4.9
80.05011	4.4
81.03408	10.4
81.07037	2.9
83.04958	18.9
83.06074	3.6
84.04498	11.0
84.08136	5.2
85.02882	13.4
85.04032	7.3
86.09691	6.8
89.03914	5.2
91.05476	4.4
93.03391	4.5
93.07050	2.4
95.04956	8.1
96.04525	2.3
97.02874	5.5
98.97571	5.8
99.04445	4.3
99.05582	4.3
100.03970	4.6
100.06299	4.4
100.11239	18.5
101.07137	4.6
102.05531	9.7
103.05449	2.5
107.04953	8.5
108.08118	3.5
109.02877	6.0
110.06061	2.8
110.07136	9.1
111.04431	18.4
116.98614	6.5
117.03378	5.1
117.98103	2.1
119.04941	7.9
120.08102	16.1
121.02835	2.5
122.06017	3.5
123.04422	4.9
124.07580	2.9
124.99213	2.3
127.03876	3.6
129.05470	5.8
129.10260	4.2
130.05002	4.2
131.00160	2.4
131.04910	3.1
132.08145	2.4
133.02835	3.3
134.03604	2.7
134.05988	2.9
134.99658	8.5
135.04416	12.0
136.03961	2.7
136.07603	10.8
137.08368	2.1
138.09148	3.7
139.03926	9.2
140.07027	4.6
142.06531	3.1
143.00146	10.3
144.08090	4.9
145.02873	6.5
145.06326	2.7
146.04485	14.8
146.06000	8.5
147.04373	13.0
147.06477	2.4
148.07582	3.7
149.01218	5.7
149.05901	2.6
150.05443	3.2
150.09132	2.0
151.03909	2.0
152.07196	2.7
154.05017	4.9
154.08585	2.5
157.01747	2.6
157.04941	4.9
158.06108	2.7
159.03279	14.9
159.04404	2.7
160.07529	4.6
161.01218	28.1
161.05962	2.5
162.05499	9.3
163.03908	46.5
163.27763	2.2
164.07034	12.5
166.08585	4.0
166.12250	15.7
167.00214	2.1
169.01724	7.1
171.06490	3.9
172.07484	2.2
173.05981	3.7
174.05554	8.9
175.03963	4.3
175.06256	6.9
176.07086	9.7
177.04231	5.1
178.04984	5.2
179.02148	4.3
179.03482	2.9
180.06593	2.7
185.01234	7.9
186.99164	3.7
187.02682	15.4
187.08633	3.3
188.07050	7.0
189.00676	5.6
190.04993	2.8
190.08652	2.8
191.08096	2.5
192.06548	5.3
193.01732	14.5
200.07089	4.5
200.10811	2.6
201.00546	2.4
202.05014	22.9
203.02200	15.8
203.05650	2.5
205.03734	4.6
205.09807	3.3
206.08279	3.1
209.01228	10.1
209.16454	3.4
210.14909	5.2
211.02789	19.8
213.00687	12.3
215.08115	4.9
216.06592	5.7
217.09851	3.1
218.08025	3.2
218.99622	5.2
219.07675	6.4
219.14993	2.4
220.06021	17.3
221.03149	10.9
221.06807	4.5
225.00691	3.5
227.02243	6.2
227.11859	3.5
227.17540	18.9
228.10205	12.9
229.03821	8.8
231.01752	22.7
231.28827	2.5
233.09215	3.7
237.00708	31.0
242.10486	4.8
243.07622	13.5
243.11362	6.2
244.06139	4.3
244.12132	3.3
245.12979	7.0
246.11189	5.5
249.02844	19.8
254.03377	2.4
255.01761	59.8
255.11331	4.1
258.37732	2.3
261.08768	22.3
261.11453	2.6
262.07004	4.3
266.13922	5.6
267.03882	3.4
273.02789	100.0
273.12344	11.3
274.03073	3.2
274.10840	3.3
278.03488	4.5
279.09781	16.9
291.03983	3.8
291.13373	87.4
294.13431	4.7
296.04547	4.0
305.03470	2.5
311.16064	5.6
323.04358	7.2
333.02814	3.3
338.15942	8.1
349.02103	2.7
349.05917	3.6
355.18646	21.2
365.05304	5.9
367.03067	4.2
367.07068	3.1
375.03824	7.6
378.31781	2.1
393.04996	21.4
394.11322	8.3
407.14719	3.2
411.05969	38.1
412.06650	2.9
413.13104	2.3
429.07050	27.5
435.13708	10.3
453.07419	4.9
453.14905	39.0
453.21100	3.8
471.07990	4.4
472.58673	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.6
55.05502	3.2
57.07071	13.3
62.77176	1.2
67.05495	1.9
69.07046	4.2
70.02719	5.3
70.03133	2.1
70.03278	1.0
71.08629	12.1
71.57256	1.6
79.05477	1.8
81.07052	3.2
83.08620	3.3
85.10181	6.5
93.07060	1.7
95.08589	2.1
97.10176	2.1
98.20794	1.7
107.08490	1.9
111.01537	1.4
113.02374	2.1
113.03162	1.2
113.37742	1.2
116.92480	1.2
121.10133	1.4
123.08066	1.4
125.02352	100.0
125.06021	1.4
127.03903	2.7
132.46152	1.4
139.03897	10.5
147.10304	1.2
149.02336	8.7
151.14723	1.4
153.05469	4.1
163.07504	2.9
166.21950	1.3
167.03401	16.4
167.07089	3.5
173.04431	3.2
177.09140	2.4
181.08569	4.7
185.04460	59.3
195.10168	4.7
199.06013	5.0
209.11789	3.2
213.07574	2.8
222.42424	1.4
227.09099	4.8
241.10698	6.7
251.16284	2.1
255.12311	4.3
269.13843	5.5
283.15375	4.7
297.16916	6.1
311.18634	7.6
325.19922	5.0
339.21573	4.1
353.23361	3.0
367.24786	3.2
381.26273	2.6
395.28000	2.8
451.34109	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	452.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67553	0.9
53.03947	4.5
55.01859	4.3
55.05497	2.8
57.03430	3.3
59.04995	5.3
60.04528	1.0
61.02918	4.1
65.03947	1.5
67.05494	5.3
68.99806	1.2
69.03430	22.2
69.07071	2.9
70.06590	11.6
71.04993	10.1
71.59031	1.8
72.08152	2.9
73.02915	3.7
74.06085	1.3
79.05489	11.6
81.03423	16.8
81.07056	53.9
82.06561	1.2
82.07404	1.3
83.04977	4.4
83.06113	1.0
83.08620	1.4
84.04497	1.7
84.08156	5.0
85.02903	46.4
85.06552	4.7
86.06092	1.1
86.09697	5.9
87.00826	13.8
87.04455	4.1
91.03927	1.2
91.05484	10.1
93.07050	4.0
95.04995	4.5
95.08606	4.1
96.04494	1.2
97.02892	14.7
97.06522	10.1
98.97613	1.1
99.04459	7.6
99.08092	1.4
102.05524	1.1
103.05412	1.4
105.01861	13.6
105.07039	4.3
107.04942	1.2
107.08609	8.5
109.02879	15.7
109.06525	3.8
109.10162	14.3
110.07167	2.0
111.04407	1.6
111.08086	2.7
113.05989	1.1
117.01857	2.7
119.08565	2.5
120.08099	7.4
121.08472	1.3
122.06029	1.1
123.11700	13.5
127.03914	30.1
127.11182	1.3
129.01831	1.4
129.10245	3.2
131.04874	1.0
133.10146	5.1
135.04422	1.1
136.07574	4.3
137.05978	1.1
139.11165	6.3
145.04962	13.4
146.04463	1.8
146.99554	1.1
147.02965	1.2
147.04373	1.1
151.11188	20.0
153.12740	1.9
157.12193	2.3
159.02907	8.6
163.03935	2.0
164.07072	3.8
169.12239	100.0
170.12581	3.2
171.56374	1.0
175.03970	1.0
177.05449	2.1
187.13263	16.6
189.09064	1.1
192.13954	1.0
213.03873	2.2
213.09126	2.0
214.09563	2.3
229.32605	1.5
231.04918	5.1
234.98972	1.6
237.02910	1.8
244.67543	1.0
249.06200	1.3
259.09634	2.5
260.09988	4.4
266.46692	1.0
278.10431	1.3
325.03815	5.7
327.07675	1.1
348.99899	1.0
452.15695	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	0.3
58.99865	1.5
61.84076	0.2
64.96738	0.2
67.05463	0.7
69.07025	0.3
71.19052	0.3
71.19387	0.5
77.00909	7.9
78.00990	0.3
81.07027	1.0
85.02789	0.2
91.05430	0.3
93.07038	0.3
95.01946	6.8
95.08611	1.1
100.02465	0.5
107.08590	0.3
109.10129	0.4
117.07003	0.4
119.08550	0.4
121.10136	0.3
123.11636	0.7
145.10103	0.3
151.14769	0.3
155.09106	0.5
157.10074	0.3
173.06491	0.2
183.12297	0.6
191.12842	0.2
194.09219	0.2
207.12204	0.4
209.13821	0.4
211.15474	1.1
213.09708	0.5
217.10732	1.0
219.12256	3.0
225.13306	1.1
231.10762	0.5
233.10118	0.3
233.81805	0.2
235.11739	1.2
237.13341	39.9
238.13593	1.6
243.14410	13.4
244.14630	0.3
251.11230	0.5
253.12885	2.2
255.14410	100.0
256.14651	4.1
260.14905	1.8
261.15442	4.8
266.15964	0.5
271.14041	0.3
273.15469	21.3
274.15634	1.0
278.13107	0.4
278.16028	5.4
279.16345	0.3
296.17010	1.0
334.88669	0.2
421.27905	0.4
451.29056	23.7
452.29340	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.6
55.01870	13.1
55.05516	19.5
56.96555	4.5
57.03437	9.5
57.07082	6.8
61.02924	7.8
62.49772	2.9
67.05503	31.5
68.99783	3.5
69.03429	40.7
69.07068	34.5
70.06594	9.3
71.05006	17.2
74.29347	3.5
79.05493	29.4
81.03415	22.6
81.07065	44.8
83.04991	9.5
83.08618	4.6
84.08109	3.6
85.02904	33.6
85.06528	5.6
86.09743	3.5
87.00804	16.1
87.04501	3.4
87.70819	3.1
89.03898	4.8
91.05479	24.2
93.07048	35.3
95.04967	13.5
95.08601	55.1
97.02892	19.4
97.06528	95.7
97.10177	5.3
98.97580	5.2
99.04440	7.8
103.03972	4.0
105.01881	8.5
105.07024	46.2
107.04955	9.9
107.08588	29.8
109.02876	15.7
109.06535	8.4
109.10157	34.9
111.04443	14.7
111.08049	5.0
115.03903	8.5
115.05369	2.9
117.03381	5.0
117.07025	11.8
119.08574	46.8
121.06492	9.4
121.10145	20.9
123.04430	6.9
123.08073	7.8
123.11702	11.9
125.09628	6.2
127.03893	15.3
127.11195	6.4
128.06232	4.6
128.86847	3.2
129.01878	3.8
129.07027	6.3
131.08543	21.7
133.06525	5.8
133.10139	34.4
135.04420	8.4
135.08064	6.2
135.11679	13.7
137.05957	7.4
137.09641	7.0
137.13283	4.2
139.03889	6.5
141.07011	5.6
142.07819	4.8
143.08578	13.4
145.02855	4.7
145.05005	3.9
145.06493	4.3
145.10115	32.3
147.03021	4.2
147.08040	7.1
147.11670	18.8
149.09612	4.0
149.13278	8.4
152.62836	3.6
152.99812	3.5
155.08554	9.3
156.09404	3.9
157.10129	18.6
159.02936	5.4
159.08058	5.0
159.11679	38.7
161.02304	17.4
161.05928	4.1
161.09598	4.4
161.13193	16.2
163.03897	33.1
163.11153	4.2
169.10167	11.4
171.08109	5.7
171.11693	16.6
173.02344	33.5
173.09659	6.3
173.13266	12.4
175.11240	6.9
177.00716	4.1
177.09232	4.8
179.14314	12.7
181.10161	4.7
183.11635	7.4
185.09641	3.6
185.13295	7.6
187.11198	3.7
187.14835	12.5
189.03949	4.6
189.16415	24.4
195.11781	3.8
197.13284	9.2
199.11214	5.3
199.14821	3.7
201.12720	3.8
201.16351	17.7
203.17979	14.0
209.13361	3.4
213.12698	5.6
213.16412	9.3
215.07057	28.0
215.17871	8.0
221.05016	4.7
223.14920	5.7
225.12764	6.9
225.16354	4.5
227.17909	3.6
231.17421	7.3
237.02635	4.7
241.15948	4.3
243.13768	6.9
243.17561	3.7
245.04951	11.5
245.18977	6.0
259.09659	100.0
260.10074	6.8
263.06146	5.6
269.18924	4.9
271.18988	23.9
273.12384	13.3
293.19110	4.6
301.11798	30.3
302.04034	6.3
303.05045	6.8
309.40152	4.1
311.20123	17.7
329.21201	9.4
347.14313	5.2
347.22015	5.1
373.06082	3.6
407.23975	4.0
415.21149	5.9
433.22067	7.6
439.20325	4.3
451.23099	42.2
451.27692	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	451.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50724	1.0
53.03936	1.9
55.01869	7.4
55.05490	4.5
57.07071	16.0
69.07073	8.1
71.08623	12.5
71.18831	2.7
81.07045	2.1
83.08602	4.1
84.31050	1.0
85.02900	1.4
85.10162	6.5
93.03373	1.5
93.07008	1.4
95.04971	1.4
95.08598	2.3
97.10172	1.7
107.08571	1.4
109.10146	1.6
111.11709	1.5
113.02315	2.6
123.04412	1.7
123.08125	1.3
125.02341	100.0
125.05951	1.5
126.02682	1.5
127.03876	2.3
135.08067	2.7
137.02312	2.7
137.06017	1.4
139.03891	10.0
149.02333	7.0
149.09613	2.0
153.05449	4.4
155.03378	2.1
163.07527	2.6
163.11128	1.5
167.03387	18.7
167.07037	6.1
173.04433	4.5
177.09071	2.4
181.08604	6.1
185.04440	74.0
195.10168	4.2
199.06036	5.6
203.05463	1.6
209.11673	2.6
213.07545	2.4
223.13231	1.4
226.07172	2.2
227.09100	7.2
237.14726	1.9
241.10796	5.8
241.12871	1.1
251.16399	1.2
255.12228	6.3
265.17941	1.4
269.13763	4.1
283.15408	4.6
293.17606	1.4
297.16931	5.2
311.18399	5.5
325.20020	8.0
339.21667	4.4
353.23126	3.3
367.24652	3.6
381.26199	3.6
395.27945	3.3
416.36218	1.5
451.34152	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	451.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	11.6
59.60650	9.8
63.32815	8.6
67.05508	21.1
69.03445	12.3
69.07069	25.9
71.36354	24.2
79.05495	29.6
81.07045	44.7
85.02907	10.6
91.05469	16.2
93.07014	16.3
95.04961	10.1
95.08607	39.2
97.02902	9.6
97.06519	67.2
105.07043	13.8
107.08560	13.2
119.08576	20.7
121.10116	11.4
128.60236	9.1
133.10095	16.5
135.11731	12.9
137.06044	11.0
154.07178	11.2
161.13327	23.3
163.03981	49.1
172.47227	8.8
173.02312	11.9
179.14343	22.0
201.02260	9.6
215.07014	24.5
242.31551	9.3
259.09647	75.7
271.19086	100.0
332.96671	10.7
430.39108	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	451.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01875	4.5
55.05499	17.4
55.40955	2.5
57.03428	8.3
58.57905	2.5
61.02918	4.8
67.05504	35.0
69.03413	15.2
69.07069	16.2
70.06591	7.8
71.04996	8.8
71.14143	5.9
72.08144	2.8
77.71114	2.5
79.05496	19.3
81.03423	5.9
81.07055	49.1
81.92364	2.4
83.04974	7.1
83.08614	12.0
84.08144	6.0
85.02899	11.1
85.06534	6.1
86.09697	6.8
87.04457	3.5
91.05472	16.8
91.44835	2.7
93.07031	18.9
95.04977	8.7
95.08597	51.9
97.02879	5.5
97.06529	50.4
97.10152	5.8
99.04462	4.2
99.08112	3.3
105.07040	18.5
107.04932	6.0
107.08568	12.9
109.02891	3.8
109.06543	3.9
109.10152	8.9
111.04426	5.4
116.07066	3.3
117.03419	2.4
117.06989	3.3
119.08568	26.2
119.14447	2.4
120.08147	4.4
121.10190	8.2
123.04491	3.0
123.08011	4.2
125.09675	2.8
127.03985	3.8
129.05475	2.8
129.06911	2.8
129.10271	3.2
131.08553	3.8
133.06512	3.6
133.10138	13.7
135.04401	8.7
135.11700	9.8
137.05983	7.3
137.09618	5.0
137.13231	5.4
138.09132	2.9
141.07030	3.4
145.02853	4.8
145.10091	6.2
147.04329	2.9
147.11707	5.3
149.13124	3.7
157.10141	3.5
159.11732	7.0
161.02344	5.6
161.13257	29.8
163.03915	35.0
163.07477	3.0
164.04245	2.7
167.07048	4.7
173.02365	12.0
179.14319	26.9
181.04932	3.7
187.14784	2.4
197.15300	4.0
215.07048	17.4
253.18028	5.2
259.09637	64.2
271.19052	100.0
326.63245	4.7
451.22845	3.5
451.35208	5.0
458.89319	3.2
462.54071	2.4
468.34787	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95075	0.5
55.05494	0.6
56.96566	27.9
57.07057	0.9
67.05490	0.6
69.07052	0.9
71.08604	0.6
71.60406	0.6
71.60799	0.7
71.95264	4.1
72.96035	1.2
74.97619	1.2
81.07037	1.9
84.96027	1.1
87.15238	0.5
87.91478	0.5
89.05993	1.3
92.98611	0.6
95.08599	1.1
97.96795	0.7
98.97571	1.3
105.07033	0.8
109.10128	0.6
110.97562	1.1
111.04478	0.5
115.97883	0.7
116.98595	0.8
120.44309	0.6
123.01220	1.1
128.98598	4.6
131.00117	1.1
133.98898	0.8
134.99622	1.4
137.02704	0.5
141.02222	0.7
146.99664	6.7
149.01196	1.1
155.03746	2.1
158.01151	0.6
161.01198	1.7
165.00726	2.4
169.05109	1.7
170.01234	0.6
171.03326	0.9
179.02255	0.5
185.04799	0.7
187.02763	0.7
189.04344	1.9
195.06937	0.6
203.05838	0.9
217.07359	0.5
221.07103	0.5
227.09494	1.6
239.09697	0.6
245.10628	1.9
279.12717	1.6
291.12881	0.9
297.13562	0.9
317.17871	100.0
318.18256	3.6
319.19431	0.9
333.17352	1.4
335.18921	56.1
336.19220	2.0
353.20013	1.4
358.20514	19.9
359.20728	0.8
361.20450	1.4
391.21564	10.5
392.21622	0.8
433.32687	0.8
451.34210	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14939	0.4
55.05509	1.0
56.96568	25.2
57.03437	0.8
57.07077	5.4
67.05494	1.2
69.07061	1.6
71.08633	3.9
71.33897	0.8
71.34219	0.6
71.95258	3.6
72.96030	1.1
74.97605	1.8
81.07053	1.8
81.70116	0.5
83.08603	0.6
84.96053	0.7
85.10175	2.5
89.06034	8.7
92.98642	0.9
93.07043	1.1
95.08592	1.8
97.10150	0.6
97.96815	0.6
98.97578	0.8
98.98481	0.7
105.06998	0.6
107.08620	0.6
109.10129	0.6
110.97557	1.2
111.11708	0.5
115.97808	1.5
116.98605	1.8
119.08591	0.7
123.01176	1.3
128.98613	3.8
131.00163	0.5
133.08612	3.9
133.98851	1.1
134.99666	1.3
137.02733	1.0
141.02217	1.2
146.99635	6.2
149.01175	1.8
155.01056	0.6
155.03749	1.8
161.01190	1.7
165.00702	1.4
169.05318	0.6
170.01251	0.5
171.03238	0.9
175.02873	0.5
177.11237	1.4
179.02353	0.6
187.02707	0.6
189.04330	2.1
191.02260	0.6
203.05852	1.1
205.27591	0.5
213.01799	0.6
217.07486	0.6
227.09564	1.2
239.09631	0.6
245.10628	1.9
257.10657	0.6
263.09552	0.7
277.11157	0.5
279.12738	1.0
283.17545	0.6
297.13605	0.9
305.14307	0.8
317.17868	100.0
318.18109	2.7
319.19388	1.5
333.17175	0.8
335.18921	56.6
336.19308	2.4
346.15375	0.6
353.20001	1.3
358.20529	19.2
359.20959	1.1
361.20334	0.6
391.21542	10.1
391.26199	1.0
451.27481	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.4
55.01870	12.2
55.05519	16.6
55.05744	3.2
56.96568	5.7
57.03426	5.0
57.07074	4.8
61.02930	4.7
62.22945	2.8
65.03956	2.9
67.05507	24.1
68.19357	3.1
68.99792	5.1
69.03439	26.7
69.07067	40.7
70.06583	5.0
71.01311	3.1
71.04971	4.0
71.59378	3.6
71.91469	2.9
73.02922	5.3
79.05485	22.1
81.03420	26.7
81.07059	52.3
83.05006	7.8
83.06765	2.8
83.08607	7.3
85.02903	37.0
87.00823	16.2
89.03958	4.3
91.05489	30.2
93.07048	38.9
95.04986	14.4
95.08611	41.8
97.02906	16.6
97.06524	32.3
97.10216	3.1
99.04436	6.0
105.01865	7.8
105.07035	59.1
107.04964	13.1
107.08595	37.4
109.02878	16.5
109.06532	12.2
109.10154	24.9
111.04441	8.6
111.08090	4.8
115.03931	9.9
116.98640	3.4
117.01896	3.3
117.03382	5.8
117.07031	15.2
119.04979	3.0
119.08579	83.5
121.06509	5.3
121.10126	26.1
123.04410	4.8
123.08091	7.1
123.11717	9.3
125.05992	5.3
125.09621	5.3
127.03918	20.7
129.07005	3.8
131.08582	19.8
133.06496	6.7
133.10158	25.0
134.03699	4.3
135.04428	16.6
135.08066	4.8
135.11710	11.6
137.06027	9.4
137.09659	3.6
139.11209	3.5
140.16618	3.0
142.07822	4.4
143.08565	9.9
145.02867	12.5
145.04939	4.0
145.06520	2.8
145.10129	25.0
147.08034	4.1
147.11685	100.0
149.09612	4.7
149.13319	6.3
151.07591	3.7
151.11203	5.2
155.08536	5.9
157.10141	13.9
159.02922	7.8
159.11702	23.3
161.05974	7.9
161.09634	3.7
161.13242	13.7
163.03906	93.5
163.11206	4.6
167.07169	5.8
167.08607	11.4
168.08890	14.8
169.10194	4.9
171.08066	3.1
171.11729	10.4
173.09734	6.9
173.13252	10.0
175.11240	4.4
175.14835	6.7
177.09090	3.4
177.12804	5.0
181.10086	4.3
183.11674	6.8
185.13258	7.2
187.14859	7.3
189.12770	3.8
189.16356	5.5
199.14906	4.1
201.12633	2.8
201.16441	16.6
203.17891	18.1
213.16339	8.3
215.17958	10.6
217.04973	4.6
219.17406	4.4
225.16356	4.0
227.17935	4.9
231.04890	3.3
231.17522	5.6
235.11601	3.4
245.05109	3.5
245.19083	3.8
259.09665	89.5
260.10031	5.1
283.20584	3.8
293.19040	3.4
308.17685	3.7
311.19983	12.1
329.21118	11.7
415.20828	5.2
433.22311	15.9
451.23300	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	451.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22049	1.8
50.57397	1.8
53.03939	5.9
55.01876	10.8
55.05507	11.7
56.96553	3.4
57.03428	6.9
57.07063	2.7
57.62863	2.3
59.05005	1.9
61.02924	2.6
63.33346	2.2
65.03954	3.7
65.10361	1.9
67.05500	21.0
68.99781	6.4
69.03421	31.4
69.07068	32.3
70.06591	2.2
70.91564	4.7
71.04991	5.4
73.02914	6.4
79.05492	23.1
81.03414	26.0
81.07053	44.2
83.04975	12.3
83.08597	4.4
85.02900	34.3
85.06536	3.3
87.00832	16.9
89.03953	2.5
89.97795	2.2
91.05467	31.9
92.28534	1.9
93.07037	39.8
95.04962	16.2
95.08601	33.5
97.02890	18.6
97.06521	22.4
99.04439	7.6
103.03950	5.3
103.05441	3.6
105.01858	9.3
105.07021	54.6
107.04935	10.2
107.08583	36.1
109.02859	14.7
109.06507	7.0
109.10146	32.8
111.04423	4.9
115.03946	10.8
115.05457	3.1
116.98615	2.9
117.03381	6.1
117.07003	11.8
119.08578	100.0
121.06503	7.2
121.10110	25.6
123.04427	2.5
123.08054	8.2
123.11679	11.8
125.06009	2.7
125.09624	5.2
127.03890	19.7
128.06227	4.0
129.01862	4.1
129.05452	3.6
129.06993	7.6
130.07790	3.0
131.08559	20.1
133.06479	5.4
133.10129	28.1
134.03586	3.0
134.99672	2.2
135.04419	13.6
135.07999	9.3
135.11711	10.7
137.05930	6.3
137.09610	4.9
142.07742	3.9
143.08554	12.5
144.09320	3.2
145.02841	7.6
145.04924	4.0
145.06522	3.3
145.10104	31.2
147.02864	3.4
147.08055	4.6
147.11676	92.9
148.12007	2.2
149.05957	2.4
149.09647	5.5
149.13226	9.8
151.07593	2.9
151.11183	4.4
153.06932	2.7
153.09149	3.1
155.08543	4.8
156.09213	2.3
157.10123	16.8
159.02907	7.7
159.08066	3.7
159.11690	23.9
161.05971	2.4
161.09604	7.3
161.13217	15.7
163.03903	58.4
163.07497	2.5
163.11195	4.9
164.04213	2.1
167.07094	4.3
167.08578	5.9
168.08949	4.9
169.10185	4.1
171.07944	2.8
171.11693	6.9
173.09648	4.2
173.13251	12.1
175.07513	2.4
175.11169	6.9
175.14824	5.3
177.12708	3.6
177.16360	3.0
179.07062	3.3
179.08514	2.8
179.10695	3.0
181.04990	2.1
181.10115	3.4
183.11714	7.6
185.13336	6.2
187.11162	3.4
187.14789	6.3
189.03906	3.4
189.12729	5.3
189.16386	7.5
191.10678	3.1
191.96080	1.9
195.11696	3.2
197.13145	2.7
199.14819	5.2
201.03993	2.0
201.12761	4.7
201.16423	13.1
203.17970	23.0
205.12112	2.4
207.11769	2.2
209.13339	6.6
213.12840	2.7
213.16367	6.7
215.17897	9.3
217.12245	2.8
225.16396	2.5
227.14299	2.1
227.18004	7.6
231.05103	3.7
231.17525	5.9
232.40671	2.2
233.19252	2.5
239.17992	2.6
243.17418	4.9
245.05113	5.0
245.18956	6.0
251.17896	2.9
257.18979	3.1
259.09637	54.7
261.15411	2.0
263.06384	2.2
265.19269	2.0
269.18948	3.6
287.19992	2.4
293.19058	4.1
311.19986	10.3
325.47119	2.1
329.21024	9.5
347.22333	4.3
365.12598	2.6
383.14041	3.0
390.11575	2.2
397.19901	2.9
415.21210	5.5
433.22421	11.9
451.23199	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.01871	5.4
55.05504	9.2
57.03171	1.3
57.03429	5.0
61.02927	2.6
65.03937	2.5
67.05505	13.8
68.99789	4.4
69.03430	23.2
69.07066	13.7
70.06608	1.8
71.04985	2.5
71.20319	2.9
73.02913	3.8
77.61346	1.3
79.05489	13.2
81.03421	17.5
81.07056	32.1
83.04980	7.8
83.08626	5.4
85.02901	21.0
87.00826	12.1
87.04505	1.5
91.05479	23.1
93.07040	28.3
95.04952	10.2
95.08604	28.0
97.02902	14.7
97.06538	4.3
97.39155	1.4
99.04450	4.8
103.03986	1.9
105.01881	5.0
105.07029	46.4
107.04945	2.7
107.08598	29.1
109.02875	7.8
109.06524	6.8
109.10149	22.0
111.04443	6.3
111.08075	4.8
115.03916	4.6
117.01839	2.7
117.07010	11.0
119.08581	95.6
121.06532	4.2
121.10145	18.8
123.04423	1.8
123.08102	4.7
123.11701	5.9
125.05932	1.3
125.09647	4.7
127.03925	14.1
128.06250	1.9
129.01851	3.3
129.05443	2.3
129.06985	4.7
130.07814	1.5
131.08578	15.4
133.10126	16.7
135.04372	1.8
135.08054	3.9
135.11728	8.8
137.05956	3.8
137.09601	3.8
139.07440	1.5
142.07788	4.8
143.08565	8.9
144.09366	2.3
145.04901	2.1
145.10121	21.6
146.44702	1.6
146.45863	1.3
147.08052	1.9
147.11685	100.0
147.90552	1.3
149.05975	2.5
149.09618	5.2
149.13263	4.2
151.07561	1.7
151.11177	3.1
153.05525	2.1
155.08543	4.3
156.09329	2.0
157.10130	10.8
159.02936	4.6
159.08052	3.2
159.11685	16.6
161.09604	3.4
161.13228	8.0
163.07561	2.1
163.11174	2.4
165.07028	3.0
165.09138	2.3
167.07137	1.6
167.08557	1.9
169.10135	7.0
171.11710	8.0
173.09662	3.3
173.13251	11.8
175.11195	4.8
175.14841	5.2
177.09171	1.5
177.12735	2.3
179.10661	1.7
181.10138	4.1
183.11736	4.8
185.09650	3.2
185.13293	5.5
187.07483	1.8
187.11241	2.5
187.14821	4.5
189.03990	2.1
189.12750	1.9
189.16385	5.7
191.10762	1.9
193.05066	1.9
195.11765	2.6
197.13268	4.6
199.14897	2.8
201.03845	2.3
201.12701	2.1
201.16423	15.2
203.17928	16.4
207.11719	2.4
209.13336	3.2
211.14777	2.2
213.12836	2.5
213.16391	4.8
215.18031	8.3
217.15776	1.9
219.17540	3.0
223.14839	2.1
225.16269	1.6
227.17952	4.0
229.15810	2.8
231.05052	2.8
231.17441	4.5
233.19080	2.0
239.17970	3.4
241.15862	2.3
243.17445	3.5
245.19003	3.9
251.17928	2.0
257.19061	3.9
261.18521	2.4
269.18851	2.5
275.20236	1.6
287.20102	1.8
293.18921	4.1
311.20078	10.8
329.21127	8.1
347.22144	4.6
415.21075	5.4
433.22351	12.2
451.23456	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	451.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84321	1.1
57.87838	1.0
70.55386	2.3
70.55775	1.7
77.16177	1.0
108.25488	1.0
124.25172	1.0
146.38762	1.0
173.03015	1.2
267.30234	0.9
301.50375	1.1
451.04849	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58677	1.7
72.51557	0.7
75.16431	0.7
96.97388	0.7
98.48014	0.8
114.39876	0.7
118.96470	0.7
138.46074	0.7
199.17723	0.8
277.80954	0.7
313.07779	0.7
391.02719	2.0
418.41177	0.8
418.46606	0.9
451.04855	100.0
452.05209	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	451.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01870	2.0
55.05508	5.3
56.05006	1.2
56.96564	1.4
57.03431	1.9
65.03928	3.4
67.05503	17.2
69.03422	6.8
69.07049	4.9
70.06586	14.8
71.01345	1.2
71.58814	1.7
72.08140	4.6
79.05486	4.0
81.03383	2.7
81.07046	3.9
83.04971	6.7
83.06045	1.1
83.08615	1.7
84.04502	1.8
84.08118	4.6
85.02902	5.5
85.06587	1.2
86.09699	11.5
89.91676	1.0
91.05468	5.6
91.15215	1.2
92.38376	1.1
93.03381	2.0
93.07029	3.2
95.04962	56.2
95.08586	1.9
97.02892	3.2
97.06522	14.9
98.09701	3.7
98.97567	1.4
99.04445	1.9
100.11265	3.1
103.05476	1.6
105.07047	2.7
108.04494	1.4
109.06468	2.2
111.04439	10.3
115.05425	3.8
116.98611	1.7
117.07009	1.3
118.85736	1.0
119.04945	1.1
119.08640	1.5
120.08092	11.5
121.02882	2.6
123.04417	8.9
124.07591	2.4
127.03925	2.2
128.06204	1.5
129.05472	3.0
129.06987	2.2
129.10228	3.2
131.04909	2.0
133.06468	3.3
133.10118	2.2
135.04410	3.4
136.07567	4.3
137.05989	2.5
139.03896	6.1
141.06993	2.6
142.07805	1.0
143.04893	2.9
143.08508	5.5
145.02837	1.4
145.10030	1.1
147.04396	5.3
149.05959	4.1
152.06133	2.0
157.05006	2.3
157.06444	3.0
157.10110	5.0
159.11377	1.3
160.05214	11.6
161.05972	39.8
163.03889	14.3
163.07497	1.4
164.07054	3.3
165.05461	6.2
167.08536	10.7
169.06480	3.2
171.08064	7.8
173.02432	2.7
173.05957	5.8
174.06738	5.4
175.03978	2.3
175.07487	7.7
177.05353	1.2
181.05042	1.4
182.15404	1.6
183.11331	1.3
185.05992	2.1
185.09593	6.2
185.11082	1.2
187.07541	7.9
189.05499	2.5
189.09094	81.1
190.09473	1.5
195.08037	21.6
197.05952	2.0
198.06770	2.5
199.07632	1.7
200.04678	1.7
201.09134	4.3
203.07048	2.2
203.10649	5.6
205.08557	2.4
207.06564	1.3
209.04466	4.9
210.14977	1.8
213.09073	33.2
213.10957	2.1
215.07019	16.8
215.10570	2.0
217.08505	7.0
223.07471	1.3
231.10147	24.4
233.08012	2.9
241.08649	8.7
249.11156	9.7
259.09641	100.0
260.10266	2.3
271.14301	1.3
277.10684	38.9
278.11023	1.5
301.90128	1.2
337.21332	1.7
354.23904	2.3
415.13724	1.6
433.15137	7.7
433.31845	2.7
451.15955	52.1
451.32660	6.0
452.16675	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.8
53.03934	2.7
55.01859	4.3
55.05494	6.3
57.03429	4.5
58.37832	1.6
63.62406	1.7
67.05508	11.6
69.03418	7.2
69.07064	11.1
69.48122	5.5
69.48542	11.2
70.06583	7.9
71.04965	4.4
72.08143	1.7
79.05467	10.2
81.03409	6.3
81.07052	28.1
83.04997	3.5
83.08614	3.1
84.08124	2.7
85.02895	14.2
85.06535	4.2
86.09718	4.3
87.00794	2.0
91.05486	11.5
93.07037	23.4
95.04956	8.5
95.08617	12.4
96.08161	2.1
97.02879	5.0
97.06528	27.8
99.04444	5.7
105.07022	29.6
106.07330	2.0
107.04951	4.7
107.08591	22.7
109.02869	2.9
109.06517	15.2
109.10140	10.4
111.08089	3.4
116.98646	2.0
117.06963	2.0
119.04900	1.9
119.08580	17.2
120.08122	2.3
121.06493	16.0
121.10147	16.2
123.08041	12.0
123.11697	27.4
124.73930	1.7
127.03918	2.7
127.07562	8.3
128.06247	2.5
131.08534	4.8
133.06509	2.2
133.10098	4.2
135.04417	3.1
135.08086	4.9
137.06036	4.1
137.08075	1.8
137.09627	2.9
139.07513	5.8
141.05449	1.6
143.08641	2.2
145.10106	5.4
147.11676	91.1
149.13239	6.2
151.07417	2.3
153.01817	2.0
157.08568	2.1
157.10118	5.9
159.11647	2.6
161.02307	3.4
161.13306	2.9
163.03899	7.3
163.07603	1.7
163.14896	3.0
165.07353	1.7
165.12744	89.1
167.06996	2.6
171.11702	4.3
173.02335	5.4
173.13217	3.4
175.11203	11.0
179.08759	2.1
183.13838	14.8
189.12738	7.5
191.14301	4.3
193.12206	18.4
199.11162	6.3
202.16896	1.8
207.13800	7.6
209.15372	7.8
211.13095	2.3
215.06999	9.6
217.12259	14.4
229.14334	65.0
235.13261	27.9
253.14328	100.0
259.09555	16.4
271.15411	3.0
287.05515	15.7
288.05817	38.4
450.10693	8.1
450.21863	3.7
450.28488	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.01863	1.3
56.05025	0.7
56.96550	0.9
57.03433	3.7
59.05005	0.6
60.04503	0.6
61.02924	5.6
65.03929	2.2
69.03424	14.0
69.07079	0.7
69.77729	0.6
70.06586	3.6
71.04990	2.1
71.58319	0.6
72.08144	2.2
73.02904	2.5
79.05482	0.7
80.04995	0.6
80.08450	0.6
80.93096	0.5
81.03416	5.6
81.07063	0.6
82.06608	0.8
83.01382	0.6
83.04963	0.7
84.04522	1.3
84.08127	1.9
85.02900	64.8
86.09688	3.5
87.04482	2.2
87.10071	0.8
88.46804	0.7
91.03976	3.6
91.05476	100.0
92.05798	0.8
94.06585	0.5
95.04987	1.0
97.02888	34.7
98.97548	0.7
99.04426	2.6
101.02399	0.7
102.05531	0.5
103.03972	0.7
104.05322	1.3
105.07040	1.3
107.04923	0.6
109.02876	4.9
110.07107	0.6
113.07140	0.5
115.03920	5.5
117.03397	0.7
117.07019	2.1
118.06526	0.6
119.04981	0.6
121.06512	1.1
124.07574	1.4
127.03916	16.1
129.06990	0.6
129.10249	2.0
133.06512	1.1
134.99696	0.6
135.04416	0.8
136.07494	0.7
143.08514	0.9
145.02905	2.1
145.04950	28.8
145.06332	1.4
147.04422	0.8
149.06001	0.8
149.09584	0.8
153.06906	0.7
157.06516	1.0
161.04482	2.4
163.03973	0.9
163.06015	9.9
163.07361	0.6
167.07066	0.6
171.08075	1.5
175.07564	0.7
177.05499	2.3
188.07019	0.7
195.10347	0.6
206.08223	0.8
217.08568	2.9
235.09645	2.4
253.10779	2.4
259.11307	0.8
288.05710	0.9
288.12399	0.7
325.11472	1.0
415.35321	0.6
450.16953	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1443
Annotation	Dihydrowogonin 7-O-glucoside
Peak:m/z	Relative Intensity
53.03936	3.1
55.01865	1.5
55.05505	3.7
56.96574	2.5
57.03434	1.1
61.02925	1.7
65.03945	1.5
67.05495	5.4
67.82471	1.1
68.99799	1.0
69.03415	5.2
69.07067	3.2
70.06584	5.8
70.93794	2.0
70.94139	1.4
72.08145	1.5
73.02911	1.0
79.05511	5.0
81.03420	6.4
81.07056	8.0
83.04974	2.2
84.08147	2.4
85.02901	11.9
86.09705	3.4
91.05471	4.0
93.03475	0.8
93.07034	5.7
95.04967	4.2
95.08567	5.2
97.02879	5.1
97.06531	2.9
98.97604	1.3
103.05473	2.1
105.01888	1.6
105.07050	6.8
107.04949	100.0
107.08584	5.1
108.05306	1.4
109.02888	6.0
109.06508	1.8
109.10178	3.0
110.07160	1.5
111.04417	2.2
116.31933	1.0
116.98578	1.2
117.03382	1.2
117.06998	1.7
119.04921	1.4
119.08551	6.5
120.08073	1.8
121.06496	1.6
121.10129	3.0
122.06154	1.0
123.04408	1.8
123.08109	1.2
123.11653	1.2
125.05996	2.1
127.03899	4.5
129.06989	2.7
130.06509	1.0
131.04913	1.8
131.08582	2.7
133.06546	1.4
133.10126	3.8
134.99654	1.8
135.04419	1.6
136.07582	6.2
137.05969	3.6
137.09619	1.6
143.08557	3.5
145.02846	1.2
145.04979	1.3
145.06421	1.2
145.10123	4.3
147.04440	1.9
147.08057	1.6
147.11685	3.8
148.07591	2.0
149.05902	1.2
152.06998	1.3
153.05435	1.4
155.08456	1.1
157.10168	2.5
159.11728	3.3
161.05957	1.4
161.13313	2.1
163.04034	2.3
163.11221	1.2
164.07054	7.0
165.12729	1.1
166.08630	1.4
167.07056	2.4
169.10068	1.7
171.11711	1.5
173.13264	1.1
175.07523	1.4
175.11226	1.3
175.14857	1.9
177.05458	3.1
181.04951	19.6
183.11591	1.2
199.14819	2.0
201.16463	1.5
203.07100	1.2
213.16338	1.2
248.17523	1.2
262.21722	1.0
269.03241	2.0
277.56305	1.0
281.18863	1.3
285.07556	1.6
287.05484	7.0
287.09097	28.3
287.13818	2.3
291.17688	1.5
299.20193	1.8
303.05206	1.4
393.14767	1.1
449.15201	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.3
55.01858	12.8
55.05511	28.3
55.05735	5.7
57.03432	10.8
61.41465	4.7
61.74476	4.4
65.03930	6.3
67.05502	38.9
68.28509	4.2
68.99788	11.5
69.03426	60.7
69.07056	20.4
70.06575	5.0
71.04990	13.1
71.08616	4.1
71.49530	4.2
71.60057	6.8
79.05495	34.0
81.03413	57.4
81.07052	63.5
83.04964	15.7
83.08609	11.2
85.02898	58.4
86.09694	11.0
87.00832	21.8
91.05470	49.3
93.07037	69.3
95.04979	22.5
95.08610	60.7
97.02882	40.5
97.06510	14.4
97.10178	5.3
98.97575	8.9
99.04446	20.8
105.01861	13.6
105.07021	91.7
107.04937	15.2
107.08581	55.5
109.02863	38.6
109.06495	17.6
109.10134	28.0
111.04436	31.5
111.08061	7.5
115.03936	6.8
115.05431	4.9
116.98582	5.4
117.07027	29.0
119.08578	75.9
120.08125	6.6
121.02851	10.6
121.06504	14.6
121.10134	34.3
123.04433	6.7
123.08059	7.1
123.11736	11.5
127.03912	80.0
128.06157	5.6
129.06998	19.7
129.10382	4.7
130.07776	6.0
131.04977	4.0
131.08572	52.6
133.06490	7.4
133.10120	34.0
134.99692	4.3
135.08078	12.4
135.11662	15.8
136.07553	9.7
137.05980	15.3
137.09662	4.7
141.06911	7.2
142.07828	11.2
143.08549	53.8
145.04930	7.0
145.06477	4.8
145.10115	100.0
145.11253	5.7
147.04364	5.1
147.08047	6.6
147.11676	20.6
149.09622	7.7
149.13295	7.7
151.07564	7.8
154.27280	4.8
155.08562	17.3
156.09340	6.3
157.10117	50.1
159.07983	9.7
159.11694	79.4
161.06013	6.4
161.13275	24.2
163.03922	6.1
163.11134	7.8
167.07031	7.9
167.08444	4.9
169.10098	17.9
171.11696	31.6
173.09615	5.7
173.13246	25.4
175.14822	10.0
177.12787	5.1
181.04970	7.7
181.12218	20.3
182.12608	13.0
183.11629	15.2
183.12999	5.3
185.13194	17.2
187.11279	8.5
187.14806	19.9
189.16388	8.7
193.10101	6.5
195.11696	11.0
197.13269	10.4
199.10985	4.8
199.14819	44.4
201.04015	4.5
201.16386	79.2
205.15691	4.5
207.11713	7.9
209.13271	5.8
211.14732	13.1
213.03964	18.0
213.16328	17.6
215.17833	5.0
217.15884	10.6
219.17493	14.8
223.14807	8.4
225.16243	5.8
229.15863	17.7
231.17409	14.4
231.56847	5.6
241.15950	6.3
243.17427	15.2
257.19040	6.7
259.17038	8.0
273.18439	7.0
277.18350	5.6
281.18985	7.7
287.05658	5.1
287.13760	6.8
291.17480	6.3
309.18564	26.3
327.19559	38.8
345.20599	35.6
363.06003	6.0
394.86130	5.0
413.19598	9.9
431.20480	41.4
449.21756	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
55.01866	0.3
57.03427	0.6
61.02642	0.4
61.02924	6.3
65.03921	0.3
67.05484	0.3
68.99781	0.7
69.03420	1.6
70.06605	0.5
70.44485	1.0
71.04979	0.3
73.02923	1.4
79.05471	0.3
81.03405	0.7
82.61007	0.2
85.02900	5.2
85.07655	0.4
91.03953	3.0
97.02886	2.2
97.06496	0.3
99.04448	0.4
105.03368	0.4
107.04924	0.5
109.02879	0.6
111.00772	0.5
111.04399	0.4
115.03917	0.4
121.02866	3.3
127.03891	1.0
133.02831	0.6
135.55403	0.3
136.07552	0.3
137.02332	0.8
137.05983	0.3
141.70161	0.2
145.04912	0.6
145.06488	0.3
145.10211	0.3
147.04385	1.0
153.01830	4.5
157.06425	0.5
161.05888	0.4
162.74872	0.2
165.01852	1.8
171.04416	0.4
181.04976	0.3
183.02853	0.7
185.05917	0.8
203.06998	0.4
213.05482	1.4
231.06450	1.0
241.04990	0.9
258.05200	1.3
259.05936	0.5
287.05478	100.0
288.05823	2.4
299.05634	0.3
302.44766	0.3
329.06577	0.4
353.06320	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.8
54.95114	1.8
55.01864	2.7
55.05507	5.2
57.03439	3.2
57.07068	1.8
61.37193	1.9
65.03920	2.0
67.05495	6.5
69.03444	9.8
69.07067	3.8
70.06598	27.0
71.04980	4.6
71.58630	2.7
71.58974	2.0
73.02884	2.1
78.08707	1.7
79.05489	12.5
81.03409	8.6
81.07075	11.0
82.03758	1.8
83.04952	8.8
84.04520	3.3
84.08138	8.3
85.02911	12.6
86.09700	9.7
91.05488	9.0
93.07050	18.7
95.04962	5.4
95.08609	9.3
97.02874	5.5
97.06519	6.4
99.04478	3.8
105.07037	20.0
107.04951	6.0
107.08599	15.7
109.02868	3.3
109.06499	11.5
109.10131	4.2
110.07143	2.1
111.03663	1.9
111.04395	2.3
111.08095	2.1
113.03052	2.0
117.07049	3.5
119.08597	15.5
120.08115	3.0
121.06494	6.1
121.10148	5.7
125.06017	9.1
127.03892	5.5
128.06195	2.1
129.10249	6.3
130.07721	2.3
131.08560	5.4
133.06490	3.8
133.10129	2.8
135.04408	5.0
135.08064	3.3
135.11673	5.2
136.07602	3.5
137.05994	14.7
143.06996	5.0
145.04974	2.0
145.06459	4.0
145.10139	20.1
147.11612	3.6
150.87935	2.1
153.01823	4.0
153.09116	2.1
155.08339	2.2
159.11728	9.3
163.07497	2.3
163.11192	21.4
164.07097	2.7
169.10181	3.1
173.09598	13.5
177.12828	2.3
181.12277	3.1
183.14964	2.8
187.11209	12.7
191.10669	9.1
193.97650	1.7
197.09576	4.7
205.12251	6.2
215.10741	12.2
225.20854	2.1
227.12927	3.8
227.18730	2.1
233.11754	25.8
242.19774	1.9
251.12834	27.3
269.13843	6.5
286.07739	2.9
287.05502	100.0
303.04999	3.8
326.27594	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Quercetin-3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
53.03937	0.8
54.72724	0.6
55.01856	1.1
55.05491	0.8
56.96548	0.7
57.03235	0.4
57.03433	5.1
61.02913	1.7
67.05486	1.8
68.99779	1.0
69.03427	4.1
69.03738	0.8
69.07047	1.1
70.06586	2.8
71.04987	31.4
71.59280	1.0
72.08148	1.5
73.02895	1.3
75.04469	0.9
79.05467	1.8
81.03395	2.3
81.07044	2.9
83.04975	1.1
84.08125	1.9
85.02899	34.3
86.09720	2.8
87.04470	1.0
91.05479	1.5
93.07044	3.3
95.04951	1.8
95.08595	1.3
97.02866	3.0
97.06509	0.8
99.04440	0.7
100.20442	0.5
105.03384	0.7
105.07028	2.9
107.04958	0.7
107.08564	1.7
109.02866	2.0
109.10118	0.9
111.00772	1.7
111.04401	1.3
117.06949	0.7
119.04945	0.9
119.08572	0.8
120.08073	1.2
121.02846	2.7
121.06501	0.8
124.35311	0.5
127.03880	2.1
129.05472	6.9
129.06976	0.9
129.10262	0.8
131.08534	1.3
133.10109	1.0
136.07539	1.1
137.02322	6.6
137.05928	1.5
141.07018	0.6
143.08525	1.0
145.04918	0.8
145.10114	1.7
147.04408	1.1
147.06467	0.9
147.11690	0.6
153.01819	6.5
155.08467	0.8
157.06494	0.6
159.11710	1.0
161.06012	0.9
163.03925	1.5
164.07080	1.2
165.01822	3.1
173.05960	0.9
183.02863	1.4
186.06862	0.7
201.05495	2.8
201.16385	1.0
213.05562	0.9
221.04480	0.6
229.05005	5.3
229.08582	4.3
229.15776	0.7
247.05981	0.6
252.13011	0.7
257.04391	3.1
257.08145	2.8
258.05072	0.8
274.04449	0.6
275.05624	0.6
285.03931	1.5
287.05478	41.9
287.13959	1.2
288.05692	0.7
303.04968	100.0
304.05167	2.5
315.04944	1.7
318.42361	0.5
327.19553	0.9
345.05984	2.5
363.13309	0.6
369.06125	1.3
395.07440	0.8
405.15179	3.6
413.08539	1.7
449.14313	8.9
449.20557	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2224
Annotation	Dendroside G
Peak:m/z	Relative Intensity
50.91066	1.7
53.03942	8.0
53.70811	1.5
55.01864	7.5
55.05510	15.3
57.03432	22.3
61.02924	63.0
65.03921	3.8
65.45709	1.6
67.05502	35.0
69.03069	2.9
69.03426	34.6
69.07065	19.5
69.47110	12.9
70.06577	6.0
71.01347	4.8
71.04993	10.3
73.02544	2.8
73.02915	26.7
79.05489	20.8
81.03410	23.4
81.07051	100.0
83.04980	15.7
83.08616	8.0
84.08134	2.2
84.45041	1.6
85.02900	62.5
85.06523	7.0
86.09693	2.3
86.45974	1.5
87.04451	3.2
91.03956	39.8
91.05475	32.1
93.07046	21.8
95.04957	7.5
95.08602	23.3
97.02888	48.6
97.06527	7.7
97.10136	3.9
98.20730	2.2
99.04482	11.6
99.08075	5.6
101.02378	15.9
103.03938	8.0
105.07026	47.0
107.04913	1.7
107.08583	18.3
109.02874	17.6
109.06490	8.3
109.10144	6.1
109.28844	1.7
111.04444	4.1
113.05988	2.5
115.03887	3.5
117.07021	3.6
119.04875	2.1
119.08582	34.1
121.06477	2.2
121.10142	26.8
123.08047	5.9
123.11704	35.6
125.04790	1.7
127.03913	29.6
127.07527	5.3
129.05521	3.0
129.06972	1.8
131.04918	1.9
131.08553	5.1
133.10130	5.0
135.11659	1.9
137.06001	5.0
137.09621	2.3
143.08565	3.7
145.04964	10.3
145.05962	1.6
145.10109	5.7
147.11682	96.9
149.02324	2.0
149.13203	2.0
151.07445	2.0
153.05342	1.4
155.08434	1.7
157.06644	1.5
157.10130	4.5
159.07973	1.7
159.11671	4.5
163.03917	4.9
163.11082	2.1
165.07057	1.8
165.12746	67.3
175.11177	5.0
177.09158	2.1
181.15993	1.5
183.06503	7.1
183.13791	13.9
185.13286	2.0
193.12230	7.0
201.07541	5.8
211.13231	2.2
213.05406	1.7
214.83380	1.6
225.09715	1.9
229.08705	2.3
229.14360	27.1
257.13110	2.3
267.13373	2.0
267.15936	27.1
267.20978	2.1
285.07587	19.2
285.16962	66.1
286.17200	3.6
309.17120	4.0
313.16370	5.1
327.17902	2.5
355.15332	3.0
411.19916	4.0
429.20764	7.5
429.26215	2.6
447.12735	2.9
447.22202	14.6
447.27396	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53401	0.5
53.03950	2.4
55.01857	1.1
55.05502	6.4
56.96553	0.7
57.03432	0.8
57.07072	3.3
61.02927	0.9
67.05502	3.9
69.03423	4.3
69.07053	2.1
69.63293	2.5
69.63715	1.0
70.06575	2.2
71.04980	1.3
71.08622	0.7
73.02881	0.5
79.05487	2.6
81.03394	3.4
81.07054	5.0
83.04964	3.8
83.08606	0.6
84.08134	0.6
85.02906	6.3
85.06523	1.9
87.00824	3.4
91.05460	3.0
93.07039	7.5
95.04942	2.2
95.08597	6.9
97.02876	5.0
97.06510	2.1
98.20824	0.8
98.97574	0.8
99.04440	1.7
99.08091	0.6
103.05439	0.6
105.01873	2.9
105.07045	4.5
107.04936	1.7
107.08597	8.8
109.02882	4.5
109.06503	2.3
109.10191	2.7
111.04435	35.1
111.08060	1.9
112.04790	0.5
113.06001	0.4
116.98602	0.6
117.07008	1.7
119.08588	2.2
121.06477	1.7
121.10130	2.5
123.08044	0.9
123.11718	0.7
125.05984	14.3
125.09609	1.0
127.03928	4.6
127.07545	1.1
130.07759	0.5
131.08522	1.2
133.06537	0.7
133.10110	1.2
134.99664	0.5
135.04396	0.8
135.08035	5.0
135.11678	9.8
137.05934	1.3
137.13219	1.0
139.07507	1.3
139.11195	0.7
141.07010	0.6
143.08571	0.7
145.04938	0.8
145.10115	7.1
147.11630	0.9
149.02351	0.7
151.07506	1.1
153.05537	0.6
153.12733	2.3
159.11629	0.7
161.05986	1.0
163.03897	1.0
163.07506	0.6
163.11183	9.5
167.06999	0.6
169.10056	0.6
170.17764	0.5
173.02383	0.6
173.13306	0.8
181.12225	100.0
182.12560	2.1
187.03809	0.5
187.11205	0.8
191.10713	0.6
195.08054	0.6
199.07457	0.7
199.13266	5.0
199.14806	0.7
201.16411	0.6
211.07495	0.5
223.07567	0.6
231.04927	0.6
237.09077	0.6
241.08635	2.1
265.08630	0.9
283.09683	1.7
285.07529	1.7
285.12570	0.5
287.32922	0.5
307.09927	1.3
325.10681	1.4
355.14978	0.6
429.19238	0.6
446.01804	0.5
447.20883	0.8
447.26883	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.5
55.01861	3.5
55.05486	8.0
56.05022	3.7
57.03423	12.5
57.07103	2.8
58.06575	5.3
59.05011	5.2
59.06108	3.3
60.04517	10.8
60.05660	2.6
61.02909	5.8
67.05493	11.3
69.03426	30.4
69.07085	15.1
70.06594	29.2
71.04974	7.1
71.58983	5.1
72.08133	12.3
73.02902	11.4
75.05595	6.2
78.60799	3.0
79.05483	8.3
81.03434	17.0
81.07031	10.9
83.04962	14.4
83.06094	4.1
83.08614	5.3
84.04508	14.2
84.08132	20.4
85.02905	42.2
85.06524	5.6
86.06057	6.1
86.09703	100.0
87.04454	8.7
87.10029	3.9
88.03990	5.8
91.05466	9.6
91.05916	3.3
93.07030	12.0
94.06577	2.9
95.04951	6.9
95.08594	13.1
96.08109	6.4
97.02887	19.7
97.06530	6.4
98.06017	6.2
99.04443	10.2
100.07593	4.3
101.06020	3.1
102.05494	4.3
103.05450	5.5
105.07010	9.6
107.08563	11.2
108.04443	3.2
108.08102	7.4
109.02879	5.1
109.06489	5.9
109.10172	4.3
110.06046	8.4
110.07160	11.9
111.04426	4.3
111.08080	3.4
112.07592	5.4
115.03927	8.6
116.07076	5.3
117.07064	2.8
119.08570	10.4
120.08101	8.7
121.06477	4.9
121.10154	17.4
122.05996	4.1
122.09689	4.7
123.08070	20.6
123.11671	3.0
124.07572	18.8
124.11201	8.6
125.06004	3.3
125.09687	3.0
126.05520	4.6
127.03910	9.0
129.10229	10.8
130.06635	3.3
130.98430	2.9
131.04916	7.4
131.08522	5.7
133.04948	7.7
133.10110	6.6
134.99626	2.7
135.08047	5.3
135.11668	4.8
136.07573	4.4
137.05951	3.9
137.09550	7.5
138.09123	3.8
140.07076	6.4
143.11790	38.3
145.04971	6.6
145.10089	5.9
146.04391	3.3
147.08054	4.0
147.11644	7.2
148.11209	4.8
149.09575	10.8
150.09042	3.6
151.07520	3.6
151.11153	4.2
152.01643	85.7
154.08635	3.5
156.10278	3.4
157.10159	2.9
159.09227	3.3
159.11607	3.1
161.09637	2.9
163.07460	5.1
163.11252	4.4
164.07031	5.9
164.10690	5.6
165.09128	3.0
166.12241	4.9
167.10669	23.3
171.11278	18.0
173.11536	3.5
173.12877	7.6
174.09120	3.0
177.12773	4.8
182.08148	4.2
184.34161	2.8
189.12715	7.0
192.10170	6.1
192.13770	3.1
193.12257	4.3
196.13336	8.0
201.12370	4.8
207.13835	7.9
207.29010	3.5
228.13361	11.3
230.15370	7.8
233.17772	8.4
240.13512	4.7
240.15897	3.8
248.16405	22.3
249.14763	5.4
266.17514	53.6
284.18530	45.0
285.07394	3.5
295.21384	3.6
313.22241	11.3
314.07120	4.1
360.02856	4.3
428.22644	3.6
446.17487	3.8
446.24039	39.3
447.17233	10.4
465.21121	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	446.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88206	0.4
53.03935	2.1
55.01874	1.3
55.05513	0.5
57.03440	0.8
60.04517	0.5
61.02925	1.1
65.03944	0.7
68.99789	0.4
69.03423	4.8
69.07064	0.5
70.06588	4.2
71.04997	1.2
71.59662	0.5
72.08155	1.1
73.02913	1.6
74.06056	0.5
79.05475	0.6
81.03410	4.6
81.07056	1.2
82.06586	0.4
83.01319	0.4
83.05016	0.4
84.04510	0.8
84.08135	1.5
85.02907	10.6
86.09708	3.5
87.00829	4.5
91.03925	0.5
91.05455	0.9
93.07031	0.6
95.04948	1.0
97.02877	5.1
98.06069	0.6
99.04444	2.7
105.01857	2.7
105.03410	0.5
105.07037	0.7
107.08624	0.6
108.04463	1.4
109.02867	5.3
110.07174	1.2
117.01823	0.6
119.08578	0.5
121.02860	2.5
126.05527	0.7
127.03912	6.7
129.01724	0.5
129.10272	0.6
133.02824	2.3
135.04396	2.1
136.07478	0.5
142.08646	0.7
145.04936	3.6
149.02333	100.0
150.02658	1.4
153.73448	0.4
159.02878	2.4
163.03896	70.6
164.04239	1.3
167.03435	2.8
181.04947	36.1
182.05371	0.7
183.15118	0.4
190.04788	0.4
198.14864	0.5
201.34009	0.4
209.04404	1.8
213.08896	0.4
220.41058	0.4
230.06650	0.5
231.04948	1.1
237.03998	3.9
248.07666	0.9
273.03940	1.9
274.04172	1.0
301.03436	0.5
302.03506	0.7
303.04752	1.1
304.05173	0.5
377.01599	1.8
378.02002	0.8
396.03323	0.4
424.23285	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53743	3.2
55.05501	14.6
57.07059	11.3
67.05499	5.4
69.07066	27.4
71.08604	8.0
76.43417	3.1
80.65883	2.9
81.07051	10.4
83.08627	20.4
83.09039	3.5
91.05438	3.5
93.07036	8.9
95.08607	9.4
97.10148	9.7
97.82323	2.9
98.03294	3.2
99.39217	3.1
107.08598	6.3
109.10162	7.3
111.08045	4.0
111.11710	5.6
122.07310	3.1
123.08039	3.7
133.10083	2.9
134.38567	2.9
135.02104	3.6
135.08018	4.4
137.09625	10.4
147.11562	3.6
147.44997	3.0
149.09613	15.2
159.11964	3.2
163.11252	6.5
165.09108	100.0
169.28252	3.4
175.11183	7.5
177.09146	4.4
185.13376	3.5
189.12680	4.3
191.10669	5.9
203.10658	9.2
203.14336	3.9
205.12242	14.5
218.59705	3.3
231.13799	8.8
242.35767	3.3
293.28394	4.2
331.26114	4.3
350.41425	3.7
359.60236	3.2
427.35583	12.6
445.36804	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61193	6.3
55.05513	30.6
57.07083	33.8
57.74129	6.8
67.05504	44.6
69.07069	68.7
70.19086	20.3
71.08649	32.5
78.72685	6.0
79.05492	40.2
81.07066	81.0
83.08610	31.9
85.10162	16.1
91.05492	24.3
93.07037	55.5
95.00893	7.0
95.04948	8.3
95.08604	100.0
97.10168	15.7
105.07040	60.4
107.08599	62.9
109.06577	7.6
109.10172	41.5
111.11711	16.6
117.06979	9.6
119.08596	56.7
121.10143	48.7
123.11714	26.1
131.08583	48.8
133.10139	43.7
135.11693	21.2
143.08527	9.6
145.10092	39.7
147.11684	45.4
149.13268	19.2
155.07036	17.3
157.10098	18.3
159.11676	36.9
161.13263	17.3
163.14810	12.5
165.09119	15.3
171.11684	10.3
173.13293	17.4
175.14841	15.3
185.13277	11.8
187.14796	6.9
190.89090	6.1
191.10648	14.2
201.16174	6.7
203.18001	12.6
205.12321	8.0
219.13667	11.7
222.07733	6.5
229.02538	7.1
245.15312	9.9
247.24165	10.7
263.16412	8.4
287.19891	9.2
287.74295	6.8
341.31976	9.5
343.33514	20.7
367.33838	10.6
427.35782	30.7
445.36963	64.5
472.20322	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	445.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.9
57.07076	4.3
58.28085	0.4
60.15342	0.5
65.03955	0.6
67.05502	5.1
69.07066	16.3
69.80441	0.5
69.82094	1.0
69.82501	2.2
71.08610	1.3
79.05481	1.9
81.07063	7.3
81.66325	0.5
83.04977	0.9
83.08617	8.5
83.98344	0.5
85.10181	1.1
90.03405	0.5
91.05465	2.0
93.07037	2.9
95.08601	6.6
95.52422	0.5
97.10165	5.7
105.07064	1.2
107.08586	4.2
109.10155	6.8
111.11715	2.0
117.07036	0.7
119.08566	3.4
121.06534	0.7
121.10144	2.4
122.07281	0.9
123.11683	1.6
125.05955	0.6
125.13275	1.2
131.08557	1.4
133.10121	1.6
135.08044	3.3
135.11687	1.3
137.09608	9.7
139.07544	2.0
145.10097	1.4
149.09618	9.0
149.13332	0.7
151.07538	1.2
151.14737	1.0
155.72285	0.7
156.09245	0.6
157.10078	0.7
159.08061	0.8
159.11699	1.7
160.08755	0.8
161.09680	1.4
163.11189	9.2
165.09109	100.0
166.09381	1.0
171.11653	0.5
173.09598	1.1
173.22470	0.5
175.07678	0.7
175.11159	3.8
176.08276	1.1
177.09082	5.8
177.12726	1.6
179.10684	1.4
186.10341	0.5
187.11200	1.5
189.09157	2.8
189.12703	1.6
190.09872	0.9
191.10664	5.8
191.14339	0.6
199.11192	3.1
201.12761	1.0
203.10706	4.5
203.14348	1.3
205.12254	7.4
217.12242	1.2
219.13766	2.2
231.13776	1.3
233.15280	0.7
247.16898	0.7
275.19925	0.6
289.21457	0.7
301.21530	0.6
303.23074	0.7
361.81528	0.6
399.32352	1.2
427.35736	4.4
445.20035	3.5
445.29987	0.9
445.36728	6.7
446.20343	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
54.38187	0.8
55.01857	2.3
55.05514	16.5
56.43293	0.8
57.03419	2.8
57.07077	1.3
59.06132	1.3
62.02566	0.8
65.03928	2.9
67.05504	38.0
69.07069	14.8
70.34218	3.8
71.04985	3.6
73.06535	1.2
77.03931	1.3
79.05490	32.6
81.03409	1.4
81.07054	39.0
83.04978	3.4
83.08623	7.0
85.06532	3.1
91.05473	44.0
93.07042	29.8
95.04967	6.1
95.08603	22.5
96.51202	1.0
97.06536	3.8
97.10158	3.0
103.05436	2.5
105.04546	1.3
105.07030	46.7
107.04952	3.2
107.08591	15.9
109.06518	5.6
109.10162	6.9
111.08066	1.5
115.05447	2.6
117.07016	25.4
119.04942	1.0
119.08584	25.4
121.06483	4.6
121.10133	10.1
123.08036	1.5
123.11709	1.5
125.09631	1.7
128.06236	3.8
129.07011	17.3
130.07797	1.5
131.08569	36.1
133.06473	3.0
133.10121	15.4
135.08075	2.7
135.11678	4.1
137.09596	1.9
141.06981	5.7
142.07761	2.2
143.08565	15.2
145.06500	3.2
145.10118	19.9
147.08034	4.0
147.11687	3.4
149.09653	2.9
149.13258	2.2
155.08569	10.1
157.10149	10.5
159.07948	2.2
159.11684	11.0
161.09637	3.3
161.13272	2.7
167.08592	3.1
168.09322	1.0
169.10139	7.6
171.08110	1.3
171.11693	8.7
173.09636	1.9
173.13275	3.8
175.11212	2.0
181.10139	3.9
183.11623	4.7
185.09703	1.6
185.13260	3.6
187.11223	1.5
187.14891	3.2
189.12833	1.2
191.14421	1.0
195.11746	4.2
197.13309	5.2
199.11191	1.5
199.14847	3.2
201.12700	1.6
201.16438	1.2
207.13870	1.4
209.13271	4.0
211.14821	3.6
213.12749	1.4
215.14490	1.2
217.15976	1.0
219.13753	1.0
221.13223	1.0
223.14847	2.7
225.16377	2.2
227.14453	1.8
227.17882	0.9
229.15891	1.7
233.15417	2.3
237.16478	1.2
241.15825	1.4
243.17548	1.7
243.91780	1.0
245.15280	1.1
247.16936	2.6
255.17477	1.0
257.19006	1.3
259.16788	2.1
261.18549	2.7
269.19073	1.2
273.18515	1.3
325.21719	1.1
325.25183	4.9
335.23663	4.7
343.26321	8.7
353.24722	21.0
371.25833	23.9
389.26816	25.4
409.27112	1.8
427.28549	5.3
445.29495	100.0
446.29471	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16833	0.8
51.02377	1.2
53.03933	3.1
55.01858	3.5
55.05267	1.2
55.05510	18.1
57.03422	4.0
57.03659	0.8
57.07064	0.9
58.08264	0.7
59.04976	0.9
63.69177	0.8
65.03915	2.7
67.05504	43.2
69.03403	1.3
69.07072	16.9
69.60982	6.6
71.04988	3.3
73.06557	0.9
79.05492	41.0
81.03410	1.4
81.07058	37.4
83.04963	2.8
83.08612	7.3
85.06532	2.4
91.05476	57.4
92.05801	0.9
93.07046	40.5
95.04967	9.1
95.08608	28.7
97.06530	3.7
97.10175	4.4
99.08060	1.2
101.06038	0.9
103.05441	3.8
105.07029	54.1
107.04960	5.6
107.08586	17.8
109.06522	5.7
109.10159	10.9
111.08068	2.9
115.05461	3.9
116.06207	1.4
117.07021	26.4
119.04905	0.9
119.08582	30.9
119.52861	0.8
121.06502	6.3
121.10140	11.1
123.08063	3.2
123.11698	1.2
125.09643	0.8
128.06204	4.0
129.06995	23.3
130.07761	2.1
131.04955	1.0
131.08566	44.6
133.06467	3.0
133.10123	17.0
135.08087	4.5
135.11649	4.9
137.09596	2.3
139.11177	1.0
141.06982	6.8
142.07784	2.8
143.08572	19.0
145.06494	4.4
145.10120	24.2
147.08083	5.5
147.11693	5.8
149.09612	4.4
149.13249	2.7
151.11101	1.0
153.07002	1.2
154.07785	1.0
155.08562	9.9
156.09323	1.2
157.06502	1.0
157.10136	13.1
159.08064	2.5
159.11685	12.5
161.09593	2.9
161.13261	2.0
163.11174	0.8
165.06924	0.8
166.07855	1.1
167.08578	3.5
168.09390	1.0
169.10123	8.8
171.08061	2.5
171.11703	8.9
173.09619	1.7
173.13237	3.7
175.11101	1.6
175.14867	1.6
176.97025	1.0
177.09148	1.0
177.12756	1.3
179.08577	1.6
181.10101	3.3
183.11671	5.5
185.09619	1.6
185.13202	4.2
187.11168	2.0
187.14810	3.7
189.12773	1.4
191.67590	0.9
195.11694	4.8
197.13219	5.5
199.14851	3.9
201.12814	1.5
207.11729	1.3
209.13229	3.4
211.14824	4.0
213.12724	1.3
213.16383	1.5
215.14355	2.6
215.18185	0.9
221.75548	1.0
223.14862	2.8
225.16283	2.0
227.14401	2.3
229.15909	2.2
233.15317	3.4
235.14774	1.4
237.16519	1.1
241.15833	1.3
243.17366	1.1
245.15433	2.5
247.16898	3.7
253.15877	1.0
255.17421	1.8
257.18921	1.1
259.16898	2.0
261.18521	2.0
269.18951	1.1
273.18393	1.8
275.20142	1.2
285.18607	1.2
307.24146	2.2
322.04269	0.9
325.21848	1.3
325.25177	5.5
333.20877	1.4
335.23755	8.5
343.26364	10.7
353.24744	25.6
359.17322	1.0
371.21255	1.6
371.25815	27.5
389.26837	27.7
409.27579	1.1
427.28552	5.3
445.29504	100.0
446.29752	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
53.03940	4.5
55.01860	3.8
55.05511	22.1
57.03426	4.1
57.07073	1.6
65.03925	4.0
67.05502	43.2
69.03412	1.5
69.07063	15.9
70.01469	6.6
71.04975	2.9
77.03936	1.2
79.05489	40.2
81.03422	1.7
81.07055	40.2
83.04971	2.6
83.08616	8.4
83.97466	1.1
84.11569	1.2
85.06499	1.7
91.05474	56.2
93.07046	36.7
95.04960	7.8
95.08600	27.0
97.06529	4.6
97.10167	3.5
103.05456	4.2
105.07027	53.7
107.04961	3.7
107.08600	17.4
109.06519	5.7
109.10158	8.5
111.08076	1.8
115.05450	4.3
116.06281	1.5
117.07014	27.3
119.08576	30.8
121.06492	5.6
121.10143	12.0
123.08051	3.2
128.06223	5.2
129.06999	19.6
130.07762	1.9
131.04816	1.3
131.08556	43.0
133.06509	2.9
133.10136	18.3
135.08069	3.7
135.11703	5.0
137.09598	2.5
141.06981	7.7
142.07802	3.0
143.08554	20.7
144.09338	1.4
145.06464	3.2
145.10112	28.1
147.08069	5.3
147.11691	5.4
149.09621	3.2
149.13240	2.1
151.11214	1.6
153.06978	2.1
154.07790	1.2
155.08525	9.8
157.06483	1.6
157.10133	11.1
159.08038	2.6
159.11671	12.6
161.09624	2.7
161.13307	3.8
163.11168	2.4
163.63907	1.2
167.08557	3.8
168.09352	2.4
169.10114	8.7
171.08058	1.9
171.11665	9.1
173.13179	5.7
175.11192	2.1
181.10123	4.6
183.11729	5.1
185.09602	2.5
185.13309	5.9
187.11154	2.4
187.14812	3.8
191.14326	1.2
193.10091	1.5
195.11687	5.5
197.13225	5.9
199.11214	1.6
199.14793	2.5
201.12700	1.6
209.13257	3.9
211.14830	3.7
215.14317	1.7
223.14893	4.6
225.16371	1.6
229.15843	1.5
231.93764	1.1
233.15456	3.5
239.18025	1.5
241.15836	1.9
243.17508	2.7
247.16953	3.7
257.19095	1.5
259.16989	2.7
261.18652	2.2
271.16849	1.1
273.18469	2.1
275.20160	1.4
277.96606	1.3
287.20294	1.6
315.26447	1.5
325.25229	5.2
335.19281	1.9
335.23743	6.5
343.26459	6.3
353.24792	23.5
371.25775	28.3
389.26846	23.5
427.28336	5.3
445.29453	100.0
446.29688	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	10.3
55.01855	3.1
55.05499	10.9
57.03434	24.4
58.82244	2.5
65.03909	2.7
67.05169	3.7
67.05501	48.5
69.03427	32.1
69.07062	9.3
70.03054	2.5
71.04989	100.0
73.02883	3.1
74.53394	2.4
74.57852	2.5
79.05488	19.3
81.03413	63.4
81.07053	64.6
83.04953	17.1
83.08607	5.6
85.02902	10.5
85.06532	8.5
91.05470	41.1
93.07030	25.7
95.04985	5.3
95.08610	10.0
97.02904	25.7
97.06520	10.8
99.04433	10.3
105.07027	31.4
106.02077	2.1
107.08594	22.0
109.02884	10.1
109.10155	14.2
111.04424	5.4
117.07018	8.0
119.08585	6.7
121.06509	2.5
121.10165	6.1
123.11696	17.5
127.03893	10.8
129.05458	7.7
129.06993	3.5
131.08559	10.3
133.10103	31.4
135.11638	6.0
141.07022	2.7
147.11667	4.0
149.13245	10.5
151.11171	21.8
157.10086	4.3
159.11760	11.3
161.13351	2.9
169.12270	3.4
173.04456	28.7
177.12682	5.8
183.13770	12.7
187.13280	27.6
192.12691	2.4
195.13768	9.4
201.14784	17.1
213.14922	2.8
223.18221	2.5
229.50261	2.6
243.15816	4.9
257.17435	44.9
269.17511	3.7
278.72803	2.9
282.46872	3.0
301.20306	3.9
321.17065	3.9
327.30133	2.4
339.17856	4.9
345.07349	2.6
353.24936	3.5
361.44495	2.5
413.21573	9.9
445.24207	72.3
445.29504	29.4
445.34604	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	445.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.0
55.01870	2.8
55.05506	8.9
56.96549	1.4
57.03433	14.8
57.07071	1.6
59.04972	1.4
61.02929	1.2
65.03938	3.0
67.05502	44.8
69.03429	17.3
69.07072	7.3
69.50199	9.0
70.06564	1.2
71.01343	0.9
71.04990	100.0
73.02901	2.2
73.06532	1.0
79.05491	17.6
80.91011	1.0
81.03413	25.6
81.07053	64.0
83.04984	12.2
83.08614	4.3
85.02895	11.5
85.06535	7.9
86.09696	1.7
87.04456	2.1
91.05470	38.2
91.40890	1.0
93.07037	14.5
95.04957	6.1
95.08594	9.1
97.02885	30.5
97.06509	6.7
97.10158	1.5
98.97520	1.1
99.04440	6.5
99.08078	2.5
103.03941	1.3
103.05463	0.9
105.07024	23.5
107.04964	2.8
107.08586	17.7
109.02881	8.6
109.06514	4.6
109.10149	15.3
111.04419	5.7
111.08096	3.3
113.05980	1.4
117.07011	4.8
119.08598	3.5
121.10154	5.2
123.08068	2.5
123.11703	14.4
125.09627	2.0
125.24645	0.9
127.03922	10.0
127.11132	1.3
129.05472	3.1
131.08612	5.1
133.10123	30.8
135.08040	1.9
135.11719	5.0
137.05971	1.8
143.08636	1.1
145.05038	1.1
145.10135	2.0
147.11697	2.9
149.13246	7.0
151.11174	17.0
153.05319	1.0
153.12761	1.3
157.10225	1.6
159.11687	8.0
165.12711	2.2
167.07027	1.4
167.14412	1.2
169.12268	3.4
171.11653	1.2
173.04451	9.0
176.15286	1.2
177.09201	1.2
177.12766	6.3
183.06500	2.1
183.11702	0.9
183.12201	1.1
183.13753	8.1
187.13298	27.0
195.13791	7.0
201.07452	1.1
201.14850	16.9
207.13734	1.3
213.14816	1.5
225.14815	2.3
239.16379	1.8
241.18047	1.5
243.15901	6.3
257.17471	63.4
259.94031	1.0
267.15689	1.0
269.17557	6.6
270.73007	1.1
271.15283	1.9
283.18933	2.8
301.20068	9.2
339.17950	2.7
351.17926	1.4
369.18890	2.1
377.19922	1.2
395.20645	2.7
413.21793	10.1
445.24323	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07048	0.4
69.07044	0.7
69.39159	2.8
69.39572	1.1
76.37086	0.4
79.05505	0.5
87.04446	0.4
95.08598	0.9
98.20766	0.8
105.07037	0.7
109.06555	0.6
169.73285	0.4
171.25240	0.4
196.44391	0.5
253.34033	0.4
443.33432	100.0
444.33829	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	443.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.9
57.07058	2.6
57.65793	1.1
62.09607	1.0
67.05504	8.2
69.07062	12.5
71.08629	1.5
71.60655	1.8
79.05477	4.0
81.07054	15.8
83.04966	0.9
83.08604	4.6
85.73718	0.9
90.17109	1.0
91.05477	1.4
93.07025	3.2
95.08594	15.9
97.10161	3.3
105.06993	1.5
107.08578	3.5
109.10151	12.3
111.11727	1.4
111.96609	1.1
119.08564	4.5
121.10136	4.1
122.07326	1.1
123.11708	5.1
126.42536	1.2
129.06931	1.0
131.08585	1.7
133.10136	2.1
135.08047	1.7
135.11655	2.2
137.09612	9.8
137.13260	2.0
145.10062	1.3
147.11652	1.2
149.09641	4.7
149.13216	1.9
151.07536	1.4
163.11188	2.3
165.09105	100.0
166.09372	2.5
175.11186	1.7
177.09084	3.9
179.10635	1.3
189.09074	2.1
189.12694	1.2
190.09912	1.8
191.10622	4.6
202.09851	1.0
203.10593	2.8
205.12155	7.7
217.12245	2.5
231.13730	1.6
245.15285	1.6
307.11584	1.1
307.38458	1.0
358.55307	1.2
425.34061	4.3
443.28128	1.6
443.34586	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.5
55.01867	5.2
55.05497	9.5
56.05021	4.3
56.96553	6.3
57.01027	3.4
57.03432	41.3
60.04503	4.6
61.02921	16.6
67.05490	6.3
69.03075	5.9
69.03428	81.7
69.07055	9.7
70.06587	49.3
71.04989	4.7
71.06921	4.4
71.32620	6.3
72.08158	18.2
73.02915	58.4
79.05473	11.5
81.03432	14.7
81.07027	5.4
82.06570	3.8
84.04479	18.1
84.08125	17.6
84.37079	2.8
85.02900	100.0
86.09211	5.7
86.09702	87.0
87.04462	39.3
91.05435	9.8
91.05882	5.3
93.07040	6.7
93.08409	3.6
95.04951	7.8
95.08584	4.5
97.02886	90.4
98.97554	6.8
99.04433	5.9
102.05536	7.4
105.07012	5.8
107.04952	7.6
107.08572	4.7
109.02858	10.1
109.06465	4.3
110.06017	3.2
111.04455	3.3
115.03922	69.9
116.98606	8.9
118.06502	4.8
118.27576	3.3
119.08605	3.8
120.08112	6.3
121.02808	4.0
121.06466	3.5
123.04421	3.7
127.03887	21.4
129.10233	7.9
130.06450	3.5
132.10217	4.9
133.04958	67.3
134.05995	15.5
134.99704	4.1
136.07578	5.1
138.51007	3.1
140.07007	4.7
145.04971	37.3
147.04401	5.8
150.07582	11.5
157.13342	5.2
158.06012	7.0
163.05930	11.9
166.47156	3.0
176.07079	4.2
185.12866	12.1
197.12946	5.3
201.08728	5.2
215.13937	3.9
223.05946	3.6
232.07716	5.4
237.02788	6.3
241.07278	4.0
243.13393	21.5
248.09131	6.0
255.03848	3.9
259.08044	7.5
266.10245	61.1
279.04047	4.5
314.16934	6.0
329.14609	4.4
354.38870	3.3
359.02924	6.7
401.17609	4.4
445.11093	5.4
445.16318	12.5
445.20648	12.8
457.28409	3.2
463.14813	4.8
469.22321	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	443.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	16.1
53.44275	4.6
55.01868	12.4
55.05499	23.0
56.96562	9.1
57.03434	7.0
57.07041	5.8
61.02913	6.3
65.03922	6.4
67.05496	27.5
68.99789	5.4
69.03425	37.8
69.07056	26.4
70.06595	20.7
70.94756	9.9
71.04986	10.6
72.08140	18.0
73.02896	6.5
74.06055	4.3
79.05473	27.6
81.03410	33.8
81.07060	42.4
83.04980	10.8
83.08607	13.0
84.04494	27.6
85.02899	50.4
85.06564	12.0
86.06068	14.7
86.09679	16.1
87.00805	16.1
91.05479	39.8
93.07033	52.4
95.04981	20.2
95.08598	87.1
97.02900	27.4
97.06528	13.9
97.10137	9.2
98.97582	6.0
99.04446	14.6
99.05617	4.6
99.08079	19.2
102.05538	47.2
102.06168	6.3
103.05438	7.4
105.01867	11.7
105.07041	36.5
107.02927	4.4
107.04948	9.2
107.08592	62.4
109.02866	24.4
109.06513	8.5
109.10137	27.4
111.04433	9.0
111.08050	6.0
111.11701	5.0
113.09610	5.9
114.05540	20.8
115.03935	4.6
116.98650	4.6
117.07018	9.8
119.04945	5.9
119.08585	45.3
121.06470	7.1
121.10139	100.0
122.05987	8.4
123.04387	7.8
123.11681	24.6
125.09624	5.8
127.03917	32.9
129.05408	6.0
129.06984	7.3
131.04893	4.4
131.08574	13.0
133.06473	5.9
133.10112	35.7
135.11647	28.0
137.06024	10.8
137.13232	10.5
143.08549	8.2
145.02740	4.8
145.04938	10.7
145.10100	15.9
147.04410	7.6
147.11688	12.4
149.05919	4.2
149.13239	10.2
151.07516	7.8
157.10117	11.8
159.02884	8.0
159.11696	16.0
161.05933	5.4
161.09645	5.8
161.13237	9.8
163.07440	6.8
163.14778	9.3
165.09067	8.3
167.06944	8.0
167.08202	10.3
169.10188	7.6
171.11644	12.0
173.13213	10.6
175.07512	4.0
175.14838	16.9
177.05530	6.8
177.12798	4.6
177.16380	93.7
179.07056	4.9
179.10611	5.2
184.07364	12.0
185.13303	6.2
187.07524	5.4
187.14752	16.8
189.16368	6.2
193.15840	5.8
195.07637	11.9
195.17418	7.4
197.13158	5.5
201.16393	7.1
207.06493	6.6
213.08655	12.2
219.17528	7.8
231.04863	5.7
233.08141	6.0
243.09761	9.4
267.17480	5.3
285.18436	11.1
300.12036	5.6
303.19516	7.9
326.13504	51.0
326.78470	4.4
344.14505	5.4
399.19882	9.8
407.20474	10.4
443.18320	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	443.191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66466	2.3
53.03942	4.9
55.01853	7.1
55.05491	8.0
57.03434	6.9
61.02906	2.4
67.05178	2.7
67.05499	15.6
69.03417	9.7
69.07062	9.1
70.06584	12.1
71.04976	5.6
71.59494	4.2
72.08150	6.3
79.05490	11.8
81.03414	13.7
81.07067	20.6
83.04980	5.5
83.08633	4.0
84.08141	6.0
85.02901	11.7
85.06538	3.0
86.09682	10.1
91.05480	12.8
93.07042	17.7
94.24814	2.8
95.01303	9.0
95.04949	7.9
95.08603	13.5
97.02872	4.9
97.06515	5.4
99.04391	2.5
99.08009	2.4
103.05495	3.5
104.50312	2.5
105.07066	12.2
107.04955	5.9
107.08576	7.7
109.02850	8.3
109.06495	4.9
109.10136	7.5
115.05402	3.7
117.07034	6.3
119.04901	4.7
119.08553	10.1
120.83453	2.4
121.02844	2.7
121.06474	5.8
121.10141	5.3
123.04391	4.3
123.08025	4.1
123.11774	2.6
125.09557	2.5
127.03849	8.4
127.11152	7.6
128.11552	3.5
129.06972	5.1
129.10233	3.4
131.04958	2.4
131.08554	7.0
133.06500	3.7
133.10110	7.4
134.99651	2.8
135.04454	3.8
135.08061	5.1
135.11661	4.7
137.05980	12.3
143.08496	4.4
145.06467	5.3
145.10091	7.1
147.04376	6.1
147.08032	4.4
147.11646	2.9
149.09538	3.9
151.03940	3.7
151.07538	5.1
155.08551	3.6
157.10054	2.4
159.08011	5.0
161.05904	5.7
161.09616	5.2
163.03931	5.4
163.07471	3.5
167.07031	7.3
171.11723	3.5
173.05898	4.0
173.09573	2.9
175.07457	3.3
177.05505	5.3
177.09076	2.6
187.07498	3.1
189.05461	4.1
190.08623	3.4
191.10681	3.4
193.04942	3.4
195.11708	3.9
195.13696	7.4
199.07597	3.3
207.06570	4.4
221.04416	7.7
231.10347	2.9
233.11728	4.3
241.12132	3.0
269.11578	3.8
277.10712	9.6
287.12839	6.2
305.13794	6.7
315.12302	17.8
333.13321	56.6
351.14169	5.8
357.18674	9.2
399.19934	37.3
425.18027	12.2
443.18701	100.0
443.23880	6.0
444.19055	4.3
456.77255	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	443.191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66466	2.3
53.03942	4.9
55.01853	7.1
55.05491	8.0
57.03434	6.9
61.02906	2.4
67.05178	2.7
67.05499	15.6
69.03417	9.7
69.07062	9.1
70.06584	12.1
71.04976	5.6
71.59494	4.2
72.08150	6.3
79.05490	11.8
81.03414	13.7
81.07067	20.6
83.04980	5.5
83.08633	4.0
84.08141	6.0
85.02901	11.7
85.06538	3.0
86.09682	10.1
91.05480	12.8
93.07042	17.7
94.24814	2.8
95.01303	9.0
95.04949	7.9
95.08603	13.5
97.02872	4.9
97.06515	5.4
99.04391	2.5
99.08009	2.4
103.05495	3.5
104.50312	2.5
105.07066	12.2
107.04955	5.9
107.08576	7.7
109.02850	8.3
109.06495	4.9
109.10136	7.5
115.05402	3.7
117.07034	6.3
119.04901	4.7
119.08553	10.1
120.83453	2.4
121.02844	2.7
121.06474	5.8
121.10141	5.3
123.04391	4.3
123.08025	4.1
123.11774	2.6
125.09557	2.5
127.03849	8.4
127.11152	7.6
128.11552	3.5
129.06972	5.1
129.10233	3.4
131.04958	2.4
131.08554	7.0
133.06500	3.7
133.10110	7.4
134.99651	2.8
135.04454	3.8
135.08061	5.1
135.11661	4.7
137.05980	12.3
143.08496	4.4
145.06467	5.3
145.10091	7.1
147.04376	6.1
147.08032	4.4
147.11646	2.9
149.09538	3.9
151.03940	3.7
151.07538	5.1
155.08551	3.6
157.10054	2.4
159.08011	5.0
161.05904	5.7
161.09616	5.2
163.03931	5.4
163.07471	3.5
167.07031	7.3
171.11723	3.5
173.05898	4.0
173.09573	2.9
175.07457	3.3
177.05505	5.3
177.09076	2.6
187.07498	3.1
189.05461	4.1
190.08623	3.4
191.10681	3.4
193.04942	3.4
195.11708	3.9
195.13696	7.4
199.07597	3.3
207.06570	4.4
221.04416	7.7
231.10347	2.9
233.11728	4.3
241.12132	3.0
269.11578	3.8
277.10712	9.6
287.12839	6.2
305.13794	6.7
315.12302	17.8
333.13321	56.6
351.14169	5.8
357.18674	9.2
399.19934	37.3
425.18027	12.2
443.18701	100.0
443.23880	6.0
444.19055	4.3
456.77255	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	443.159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03454	3.0
55.04242	3.6
56.96568	0.8
59.92472	0.9
61.02893	0.8
64.85919	0.7
65.42670	0.8
69.03412	2.1
70.06564	1.3
70.08241	0.8
71.52950	1.8
73.17999	0.8
81.03411	1.2
81.04080	1.4
81.04537	21.8
81.05021	1.6
82.05319	9.4
82.21245	0.9
83.04970	1.6
84.08143	1.0
84.38593	0.8
85.02896	3.8
98.97565	1.4
101.44102	0.7
116.98607	1.4
122.07144	95.5
123.07928	100.0
128.29553	0.9
135.04425	1.4
160.04289	2.8
163.03894	5.8
164.04257	1.0
165.07712	4.0
172.04243	2.1
181.88118	0.9
189.00728	0.9
281.10645	59.9
282.10931	1.3
312.02200	1.1
416.09024	0.8
443.15933	84.9
444.16016	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92581	0.3
57.94350	0.3
69.03437	0.4
69.07070	0.3
69.47511	0.8
69.47928	1.8
79.05506	0.4
81.07047	0.6
82.79620	0.3
85.02900	0.6
92.16272	0.3
93.07060	0.8
95.08624	0.6
95.27235	0.4
97.02930	0.4
99.04501	0.3
105.07040	0.4
107.08611	0.4
119.01907	0.3
119.08594	0.4
121.10101	0.6
131.08632	0.4
133.10158	0.5
137.05991	0.7
145.03505	0.3
151.07547	0.4
165.09097	0.8
167.07150	0.3
169.04845	0.3
177.09074	0.7
185.04266	0.6
195.13565	2.2
197.02655	0.3
223.13101	1.1
241.12819	0.5
271.04446	0.4
271.14246	0.3
313.14978	0.3
339.17725	0.6
357.18814	9.4
375.18597	0.8
381.18817	0.8
399.19879	38.1
400.20386	0.7
443.18848	100.0
444.18915	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92581	0.3
57.94350	0.3
69.03437	0.4
69.07070	0.3
69.47511	0.8
69.47928	1.8
79.05506	0.4
81.07047	0.6
82.79620	0.3
85.02900	0.6
92.16272	0.3
93.07060	0.8
95.08624	0.6
95.27235	0.4
97.02930	0.4
99.04501	0.3
105.07040	0.4
107.08611	0.4
119.01907	0.3
119.08594	0.4
121.10101	0.6
131.08632	0.4
133.10158	0.5
137.05991	0.7
145.03505	0.3
151.07547	0.4
165.09097	0.8
167.07150	0.3
169.04845	0.3
177.09074	0.7
185.04266	0.6
195.13565	2.2
197.02655	0.3
223.13101	1.1
241.12819	0.5
271.04446	0.4
271.14246	0.3
313.14978	0.3
339.17725	0.6
357.18814	9.4
375.18597	0.8
381.18817	0.8
399.19879	38.1
400.20386	0.7
443.18848	100.0
444.18915	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06670	0.6
53.03941	2.2
55.01866	2.3
55.05508	4.8
56.96560	1.5
57.03436	6.0
59.05008	0.6
61.02927	8.9
61.36633	0.5
67.05497	1.7
67.15325	0.6
69.03072	1.3
69.03428	18.4
69.07066	1.8
70.06592	16.4
71.04987	5.3
71.18477	1.3
72.08159	11.0
73.02906	4.4
79.05492	2.0
81.03415	9.2
81.07050	2.4
82.05801	0.7
82.06601	1.1
83.04984	1.5
83.08607	5.1
84.04500	1.7
84.07692	0.8
84.08130	3.8
85.02905	100.0
86.03242	1.0
86.09707	15.4
87.00825	0.9
87.04460	2.8
87.05580	1.5
91.03961	5.7
91.05480	4.1
93.07034	2.3
95.04965	1.9
95.08620	2.0
97.02274	1.3
97.02896	22.3
97.06538	0.7
97.59690	0.6
98.97566	1.5
99.04453	4.4
101.09634	1.3
103.03931	0.7
105.07027	1.5
107.04976	1.1
107.08582	1.7
109.02871	8.5
109.06490	0.7
109.10136	1.1
110.07164	2.0
111.08086	1.4
113.09633	1.0
114.05407	0.6
115.03900	1.4
116.07089	5.8
116.98640	0.8
118.56312	0.6
119.04944	0.8
119.08565	1.7
120.08102	2.5
121.06527	1.2
121.10194	0.7
123.08083	1.3
127.03917	25.9
128.98633	0.8
129.09230	0.9
129.10257	1.9
133.10193	1.1
134.99658	0.8
135.08090	0.8
136.07617	1.9
138.09131	1.1
139.07582	1.5
141.09117	1.6
141.10251	1.9
143.11781	1.2
145.04959	44.2
146.04457	1.1
147.04451	1.2
149.09595	0.7
151.07556	1.2
151.11237	1.0
153.09137	0.7
155.11804	1.8
159.02959	0.6
163.03964	1.0
163.06027	15.5
163.07382	1.0
163.11172	0.6
167.10716	1.0
176.14252	1.0
179.10614	0.6
183.11325	2.0
186.12408	0.8
189.00723	0.7
191.05342	0.6
191.07085	0.6
192.07893	0.6
193.04980	8.2
194.05351	7.6
194.08235	0.7
200.13930	4.7
209.11717	1.4
210.07385	0.8
214.11894	1.0
215.14023	3.0
227.12816	1.4
228.13437	7.2
229.15508	1.7
237.02835	1.0
245.13808	1.0
257.53391	0.6
263.14972	1.8
281.17517	0.9
306.07324	0.6
325.11432	0.7
326.05035	1.0
327.20212	2.4
442.13910	1.7
442.25403	3.7
443.13974	1.0
443.19278	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	11.3
56.96558	1.7
57.03422	3.1
57.07066	5.7
67.05501	11.5
69.07068	17.7
69.53363	11.8
71.04963	1.4
71.08624	8.8
79.05486	7.5
81.07056	17.2
82.89149	1.4
83.04983	2.4
83.08611	7.6
85.02850	1.3
85.06516	1.9
88.28031	1.4
91.05488	7.8
93.07036	11.5
95.08597	21.3
97.06535	2.9
98.21510	1.3
99.08079	7.4
105.07037	5.7
105.91373	1.5
107.08581	14.5
109.06522	9.6
109.10137	8.8
110.09521	1.3
111.04438	2.4
111.08144	1.9
116.98615	1.3
119.08558	9.7
121.06512	2.2
121.10160	8.3
123.08054	29.4
123.11720	3.3
125.05932	1.4
131.08562	2.3
133.10095	8.9
135.08058	5.4
135.11681	4.2
136.08849	1.7
137.09610	3.7
137.13257	2.3
138.88791	1.4
145.10146	4.1
147.11707	4.4
149.09662	2.7
149.13283	2.1
150.95100	1.4
153.12779	5.0
159.11682	2.7
161.13232	2.9
163.11185	1.7
163.14867	1.9
165.12671	1.9
167.62685	1.4
173.13309	2.1
175.14865	3.1
177.12724	1.9
179.14310	40.4
179.15823	2.8
189.16362	2.3
191.14362	2.8
193.04953	1.8
193.16026	1.8
205.16046	1.6
219.17491	1.4
227.76706	1.5
251.20079	9.4
293.21063	8.2
293.28290	2.3
303.26843	12.9
305.24756	1.4
321.27826	3.2
331.26297	43.4
332.26712	1.5
349.22952	1.6
349.27359	51.8
405.29999	4.7
423.31058	100.0
424.31345	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	441.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01871	1.4
55.05508	2.5
56.96560	0.8
57.03433	2.1
59.05020	0.6
63.91129	0.4
67.05503	6.0
69.03427	17.9
69.07066	4.6
70.06578	0.9
71.04983	1.9
71.42538	0.9
72.72014	0.5
73.02912	1.0
79.05492	2.0
81.03417	12.1
81.07052	6.1
83.04969	1.5
83.08615	2.0
84.08121	0.5
85.02895	8.1
85.06538	1.4
86.09668	0.5
87.00822	3.1
91.05473	3.1
91.49861	0.4
93.07043	4.9
95.04961	2.0
95.08600	8.0
97.02895	6.6
97.06511	1.3
98.97585	0.6
99.04445	4.1
105.01852	2.2
105.07014	2.6
107.04952	1.0
107.08578	7.9
109.02877	10.9
109.03585	0.9
109.06508	4.0
109.10156	10.2
111.04406	0.5
111.08076	5.0
115.03943	0.5
116.98617	1.0
117.07005	0.8
119.04919	0.5
119.08567	7.4
120.08092	1.2
121.10175	2.9
123.08059	5.7
123.11673	2.3
125.09618	1.4
127.03910	11.5
131.08546	1.1
132.74466	0.5
133.06503	0.7
133.10124	4.7
135.08052	0.8
135.11690	8.1
137.09608	100.0
138.09985	1.0
143.08534	0.7
145.04912	2.6
145.06544	0.5
145.10085	1.2
147.11682	1.5
149.13260	1.3
151.07549	1.3
151.11171	0.9
151.14874	1.0
153.01837	0.8
157.10127	0.6
159.11687	0.7
161.13292	0.6
163.07423	0.5
165.09113	1.6
167.07060	0.6
173.13232	0.5
175.14812	11.2
177.09102	0.7
183.11626	0.6
191.10672	0.6
193.04941	3.4
193.15874	87.2
194.16151	0.7
203.14278	0.6
203.50264	0.5
213.03975	0.6
229.68376	0.5
231.04990	8.9
375.62503	0.4
397.18167	0.7
441.09253	0.5
441.15875	4.1
441.21133	10.1
455.08444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01855	2.5
55.05506	4.8
55.64989	0.6
57.03426	1.6
57.07054	2.0
61.02905	1.9
64.86771	0.7
67.05506	5.3
68.99791	1.2
69.03073	1.0
69.03424	11.5
69.06712	0.9
69.07063	10.6
70.06580	1.6
70.65639	2.0
71.04980	0.9
73.02879	1.2
79.05478	4.8
81.03421	5.5
81.07046	6.1
83.04971	1.6
83.08607	4.9
84.08135	0.9
85.02901	19.8
85.06527	3.2
85.35651	0.6
87.00830	7.7
91.05465	7.8
93.07039	10.4
95.04951	0.9
95.08603	18.0
97.02885	12.8
97.06498	1.3
97.10111	0.7
99.04455	3.0
101.02374	2.1
105.01857	7.8
105.07030	13.9
105.79050	0.6
105.87884	0.6
107.08587	20.7
109.02878	5.7
109.06516	1.0
109.09438	1.1
109.10148	12.1
111.04388	0.7
111.08073	2.6
113.02368	1.0
115.03918	2.0
117.07011	2.2
119.08575	43.7
121.10136	29.8
123.08019	1.5
123.11690	2.1
125.02396	4.5
125.61017	0.7
127.03917	10.2
129.01849	1.3
129.07036	0.9
130.07758	0.7
131.08551	2.9
133.09109	1.8
133.10120	36.3
134.10873	1.3
135.08063	1.3
135.11688	6.3
137.09618	1.6
137.97043	0.6
139.11195	0.8
143.03419	2.1
145.04973	3.8
145.10138	7.7
147.02882	1.4
147.11690	9.7
149.09575	2.5
149.13211	4.1
157.10104	2.1
159.02878	2.9
159.07982	0.9
159.11664	4.7
160.12456	1.5
161.04425	0.7
161.09669	0.9
161.13228	8.2
163.14816	1.0
171.11719	1.0
173.13217	4.6
175.14815	100.0
177.16367	24.7
181.10185	0.8
185.13281	1.3
187.14816	7.5
189.04089	0.9
189.16365	1.6
193.04980	6.4
193.15915	8.0
199.11266	0.8
199.14839	1.3
201.16331	0.9
205.15869	18.4
217.15796	1.5
229.03401	1.3
229.15770	1.2
231.05011	4.0
241.15965	0.9
247.04507	1.2
247.16862	1.0
249.06168	0.9
255.17371	0.9
259.16876	0.8
283.17023	1.8
301.17917	2.1
319.19077	0.9
347.92728	0.8
387.18179	1.3
397.18265	1.6
405.18964	1.5
423.20245	1.6
441.16833	2.8
441.21234	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	441.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01863	1.2
55.05498	2.0
56.96561	0.7
57.03421	0.5
57.07066	0.8
65.03943	0.6
65.91022	0.5
67.01875	0.5
67.05487	2.1
67.11350	0.4
68.04993	0.6
68.99790	0.8
69.03421	4.4
69.07069	2.7
70.06603	4.1
71.04975	1.0
71.59153	0.6
71.59558	0.5
72.08134	0.9
73.02908	1.0
79.05473	1.6
81.03404	2.9
81.07057	2.8
82.06555	1.3
83.04970	1.7
83.08604	1.1
84.04504	0.8
84.08125	1.9
85.02906	7.5
85.06527	1.5
85.07664	19.1
86.09723	2.3
87.00838	2.4
87.04492	0.5
91.05476	7.6
93.07032	3.8
95.04973	0.9
95.08612	5.1
97.02885	4.4
97.06537	0.9
98.97559	1.2
99.04431	1.3
101.02338	0.6
105.01841	3.2
105.07022	4.9
107.04966	0.8
107.08584	5.8
109.02903	2.1
109.06514	1.3
109.10133	3.1
110.07175	0.6
111.04403	0.5
111.08054	1.1
113.02360	0.7
115.03898	0.9
116.98607	1.2
117.06999	1.2
119.04948	0.8
119.08579	12.7
120.08105	1.2
121.06481	1.2
121.09321	0.6
121.10143	8.7
121.48133	0.5
123.08047	1.0
123.11649	0.5
124.07572	0.4
125.02316	1.8
127.03899	5.4
129.01842	0.7
129.10172	0.9
130.04974	0.5
131.08556	1.8
133.10120	10.5
134.99628	0.5
135.08023	0.7
135.11678	2.3
136.07616	0.5
136.80396	0.4
137.06001	0.5
143.03386	1.1
143.08585	1.0
145.02843	0.6
145.04976	1.5
145.06464	0.6
145.10135	2.6
147.04442	0.8
147.11681	3.9
149.09576	1.0
149.13240	1.1
151.03870	0.7
153.01836	1.0
157.10172	0.6
159.02933	1.5
159.08101	0.5
159.11681	1.5
161.13269	2.0
163.03906	1.0
163.07413	0.6
163.36900	0.5
165.09108	0.6
167.07057	0.5
169.04956	1.0
173.09576	0.7
173.13283	1.5
175.11206	1.5
175.14818	33.3
177.00694	0.6
177.05530	1.1
177.12769	0.7
177.16382	7.9
185.13351	0.5
187.10878	0.5
187.14787	2.0
189.03960	0.6
191.14220	0.5
193.04961	100.0
193.15935	2.3
194.05324	3.7
201.16435	0.5
203.05276	1.4
205.12097	0.6
205.15862	5.8
213.12357	0.6
215.10338	0.5
231.04999	1.6
283.16953	1.1
289.05283	1.2
297.10025	1.4
301.18167	0.6
315.11258	1.0
339.11069	0.7
377.18469	0.6
405.19275	1.0
423.20551	0.8
441.16837	2.0
441.24579	5.0
459.15482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.7
51.76060	1.1
53.03936	5.0
53.74641	1.2
54.92572	1.1
55.01867	9.8
55.05499	5.0
56.05021	1.6
56.96546	1.9
57.03427	6.4
57.41767	1.1
61.02916	4.2
65.03932	2.3
66.81113	1.1
67.05502	18.0
68.99776	5.5
69.03072	2.0
69.03426	30.4
69.07053	4.5
70.06252	1.3
70.06594	18.3
70.36106	3.7
70.36534	2.1
71.01369	2.2
71.04987	19.7
72.08149	3.0
72.70974	1.2
73.02907	9.4
79.05489	17.0
81.03407	23.9
81.07047	12.5
82.06602	2.9
83.04544	1.2
83.04970	6.9
84.04510	2.3
84.08144	8.9
85.02899	30.9
85.03413	1.5
85.06500	3.0
86.09707	8.9
87.00826	17.2
87.04464	17.2
91.03938	1.7
91.05478	29.0
93.07034	17.7
95.04963	21.5
95.08603	5.4
97.02888	16.2
97.06524	8.6
98.97581	2.4
99.04448	6.8
103.03948	5.8
103.05444	3.0
105.01842	7.0
105.07024	29.9
106.07399	1.8
107.04961	8.8
107.08595	7.1
109.02875	11.7
109.06507	3.4
109.10126	1.6
110.07137	2.4
111.04421	3.6
111.08076	2.8
113.05976	2.0
113.07098	1.5
115.03915	5.5
115.05455	3.4
116.06216	1.3
116.07038	1.3
116.98642	1.7
117.01822	2.7
117.07021	12.2
119.04960	3.4
119.08580	20.1
120.08080	4.2
121.06499	22.6
121.10134	3.8
123.04411	8.1
123.08070	2.7
124.11491	1.1
125.06060	1.6
127.03909	19.0
128.06223	7.6
129.01842	3.6
129.07028	10.3
129.10231	3.6
130.04994	1.8
130.07790	2.4
131.04930	1.9
131.08562	17.1
132.05667	1.7
133.06483	10.8
133.10101	8.1
135.04361	2.1
135.08063	5.7
135.11653	2.8
136.07529	2.2
137.05942	3.0
137.09602	2.6
141.06976	4.7
142.07774	5.0
143.08560	8.4
145.04936	6.7
145.06534	5.9
145.10100	9.2
146.04422	2.8
147.04408	2.0
147.08041	13.9
147.11668	5.2
149.05980	2.7
149.09619	4.7
151.07527	1.8
155.08508	1.6
156.09282	1.4
157.06538	1.5
157.10162	6.2
159.02917	6.3
159.08009	5.9
159.11676	3.8
160.05055	1.3
161.05983	2.5
161.09584	5.1
163.03850	2.0
163.07442	3.2
165.06973	1.7
165.09087	17.2
167.07066	1.8
169.06360	1.7
169.10083	1.7
171.08040	4.5
171.11685	3.0
173.09595	4.5
175.07570	2.5
175.11182	32.1
177.05475	2.3
177.09044	3.3
177.12753	9.6
179.08437	1.8
185.09557	3.0
187.07518	1.3
187.11143	4.9
189.03864	2.8
189.09052	3.9
189.12782	4.0
191.10675	3.6
193.04951	100.0
193.12209	11.4
193.13870	1.9
194.05321	4.1
197.01254	3.0
199.11139	2.7
201.12556	1.7
203.10645	2.9
205.08632	1.3
205.12196	22.9
207.06439	2.0
207.13780	3.0
213.09027	1.7
213.12573	2.0
215.10612	2.3
217.08635	1.3
217.12202	6.7
219.01796	1.4
225.05429	1.3
227.10468	1.6
229.12224	2.1
231.04990	2.2
233.08215	1.5
235.13235	8.2
237.02760	1.4
241.12239	2.9
245.06305	4.9
247.13345	2.4
255.13730	2.6
259.13391	2.5
271.04376	2.2
277.14349	3.6
279.08630	3.9
283.13367	2.8
289.05280	25.7
301.14343	3.7
319.15579	1.9
327.07581	1.3
355.17233	3.8
361.66824	1.2
379.17355	3.2
397.18411	12.0
405.15530	2.8
419.13834	3.7
423.10818	2.5
423.16251	23.5
441.17261	89.5
442.17624	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	441.1735
Annotation	Lys-Trp-OH
Peak:m/z	Relative Intensity
53.03914	0.2
55.05487	0.3
57.03405	0.3
61.07894	0.2
61.10143	0.2
64.05243	0.2
66.03399	0.2
67.05476	0.2
67.07084	0.2
69.03411	0.4
69.07040	0.5
70.06555	0.4
70.32496	0.7
71.04943	0.6
73.06532	0.2
77.83483	0.2
79.05460	0.6
79.27785	0.2
81.03418	0.3
81.07060	1.6
83.08556	0.2
84.08129	0.4
85.02882	0.4
87.04417	0.2
91.05454	0.5
93.07041	1.4
95.04973	0.3
95.08570	0.4
97.06532	0.2
105.06990	0.4
107.08556	0.9
119.08552	0.3
127.03910	0.2
128.10687	0.2
135.11650	0.5
147.04413	0.3
148.83916	0.2
153.12659	0.4
165.09145	0.2
169.04796	0.3
175.11034	0.5
185.04210	0.7
193.04994	1.8
193.12000	3.3
203.05219	0.8
203.06981	0.4
209.02782	0.2
221.11494	0.8
227.05254	0.5
235.13072	0.3
245.06317	3.1
271.04388	0.3
289.05289	3.5
337.16138	0.6
355.17264	10.9
356.17575	0.4
379.17166	0.5
397.18332	32.4
398.18710	0.9
406.16550	0.6
441.17331	100.0
442.17654	2.6
449.44284	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07062	0.6
69.03412	0.7
71.15823	1.5
81.07040	0.7
95.08585	0.7
105.07014	0.8
107.08633	0.7
119.01902	1.1
125.65294	0.6
128.11700	0.6
193.05016	0.9
193.12093	1.3
201.03641	0.8
243.04726	6.0
254.36829	0.7
287.03705	44.0
288.04260	0.9
289.05295	4.0
355.17337	1.8
397.18289	16.2
441.17270	100.0
442.17621	3.5
454.48770	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92575	0.3
56.54196	0.3
60.95442	0.3
69.12645	0.4
69.68533	1.1
69.68943	1.3
70.06593	0.6
79.05504	0.5
81.07076	0.5
82.93198	0.4
86.09711	0.7
91.05472	1.0
93.07049	1.4
93.33572	0.3
95.04951	0.3
95.08575	0.3
98.20837	0.8
104.57410	0.4
106.66984	0.4
107.08596	1.4
119.01920	1.0
131.63635	0.4
143.01900	0.4
157.03506	0.6
161.02972	1.2
175.04477	0.4
185.04272	0.7
193.04962	5.3
193.11967	2.4
203.03978	0.4
213.92105	0.3
227.05305	0.4
241.84308	0.4
243.04782	1.4
245.06343	1.1
252.34512	0.3
253.12831	0.9
271.04340	0.9
287.03732	2.4
289.05258	2.5
295.13913	0.7
312.96552	0.4
337.15991	0.9
355.17273	6.6
379.17319	3.7
397.18323	43.5
398.18744	1.6
423.16257	11.9
441.17310	100.0
442.17728	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	441.173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76906	0.3
56.59357	0.4
57.88929	0.4
65.05469	0.4
69.58126	2.1
69.58534	1.0
79.05431	0.4
85.29398	0.4
91.05466	0.5
93.07026	1.0
97.06449	0.4
100.04108	0.4
107.08604	0.7
107.43684	0.4
118.99525	0.4
127.00035	0.5
184.57216	0.4
193.04993	0.9
193.12030	2.2
227.05270	1.0
227.26109	0.4
243.04832	0.6
243.26231	0.4
245.06239	0.5
271.04205	1.5
287.03748	1.1
289.05353	0.8
337.16190	0.7
355.17249	6.1
379.17267	4.0
397.18298	32.2
423.11697	0.3
423.16193	12.7
441.17303	100.0
442.17688	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05668	0.6
57.79249	0.6
61.02909	0.5
61.18617	0.5
67.01827	0.5
67.05476	1.1
69.03412	1.1
69.07048	0.9
70.06586	4.5
70.63827	0.5
70.73268	1.9
71.05018	0.6
72.08143	1.8
74.02433	0.6
74.32984	0.6
79.05467	1.4
79.91248	0.6
81.03388	1.7
81.07033	1.8
83.04967	1.1
84.08132	1.6
85.02898	1.5
86.09703	5.0
86.25342	0.5
87.00809	0.9
91.05462	2.6
93.07042	3.9
95.08604	1.0
95.96845	0.5
97.02876	1.1
105.06991	1.6
107.04906	0.7
107.08569	2.1
115.95301	0.6
116.07061	2.0
119.08568	1.0
120.08086	1.6
121.10153	0.5
127.00025	1.9
127.03875	1.2
129.10222	1.1
131.08556	1.2
133.10110	1.3
136.07536	0.8
145.04959	0.6
146.04446	0.9
164.06970	0.7
166.08746	0.6
169.04906	0.7
175.11081	0.9
180.62085	0.5
185.04259	0.9
185.16487	0.6
193.04961	100.0
193.12044	2.1
194.05316	4.1
194.07965	0.6
198.87869	0.5
201.94356	0.6
213.16020	1.5
227.22815	0.6
243.04732	2.4
245.06331	0.6
271.04132	0.6
287.03738	18.8
289.05286	12.2
323.15970	0.7
324.14575	0.7
337.16196	2.6
355.17044	0.8
397.18338	12.0
398.18851	0.9
423.16275	2.2
441.17291	78.8
442.17575	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	441.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29708	1.8
56.96566	19.1
58.69365	1.7
60.01212	1.7
71.95248	2.3
79.05495	2.7
80.70911	1.7
81.07063	18.4
84.96057	10.4
93.07008	2.2
95.08615	3.7
98.21521	3.3
98.97585	100.0
102.97079	3.0
109.10227	2.3
110.97559	9.3
112.99142	14.8
115.97812	2.5
116.46959	1.6
116.98623	52.8
121.10149	1.8
121.49716	1.9
128.98619	14.5
131.00177	27.2
134.99654	23.6
140.00215	2.5
140.98563	3.4
143.00162	3.1
144.98152	4.8
145.81848	1.7
146.99663	6.3
149.01224	16.7
150.03378	1.8
158.99661	33.0
161.01247	3.0
162.99205	4.4
170.99693	4.2
173.01230	19.5
174.99158	2.8
177.00713	38.8
184.97620	2.4
187.02864	2.0
187.67809	1.6
189.00684	4.3
191.02287	20.8
193.05028	2.6
195.01758	4.7
201.00716	7.8
202.98659	7.7
203.02295	2.1
209.03763	1.9
219.01746	20.8
237.02829	25.7
244.99666	7.1
253.02266	4.3
253.11234	6.4
255.03925	2.5
263.00897	3.5
277.02261	2.7
287.03607	3.8
289.05502	2.2
355.09976	4.1
355.14261	56.0
373.15338	58.3
374.67142	1.9
396.16919	3.7
397.15259	38.7
398.15833	2.6
415.16397	12.3
441.15155	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.05494	2.7
56.96564	20.7
67.05486	5.7
69.07074	8.7
69.07386	1.7
70.73701	4.1
74.97607	1.3
79.05479	5.3
81.03392	1.3
81.07047	18.9
82.06609	6.7
83.08611	2.1
84.96024	6.0
88.00249	1.2
91.05475	4.0
93.07034	3.7
95.04942	1.6
95.08596	10.4
97.06535	1.3
97.10124	1.4
97.96774	2.9
98.20826	1.8
98.97573	43.6
99.04477	1.4
102.97083	1.7
105.03373	3.1
105.07034	3.1
107.04951	5.5
107.08588	1.9
109.02862	1.4
109.10168	4.5
110.97578	3.4
112.99119	2.9
114.39499	1.5
114.56223	1.3
115.97841	3.1
116.98610	39.6
119.08523	3.4
121.10143	2.3
123.11750	1.7
128.98566	8.1
129.06969	1.5
131.00183	6.5
131.04904	2.0
133.10118	2.4
133.98824	1.6
134.99654	26.4
135.08038	2.2
137.05994	2.6
140.00189	2.1
144.98106	2.0
145.06502	2.8
146.99643	10.1
147.11670	1.7
149.01205	12.0
149.09627	1.7
149.13222	1.5
151.07561	1.6
153.00688	3.2
158.01218	2.7
158.99625	22.1
161.01208	4.7
161.13191	1.9
162.02132	2.2
162.99130	5.3
165.00725	1.5
165.09103	10.5
167.07059	1.6
170.99619	4.7
173.01201	6.8
177.00694	39.1
177.75459	1.2
178.26616	1.4
184.97668	1.5
189.00702	3.3
191.02240	6.3
191.10655	1.9
193.04979	5.5
195.01790	4.4
197.01222	6.1
198.93742	1.3
200.02316	4.1
201.00726	2.8
211.10080	4.8
213.00673	1.9
215.02249	7.6
219.01764	17.2
229.11125	2.2
237.02820	28.1
241.00221	4.4
253.11084	7.1
255.03790	2.2
259.01208	9.2
260.04572	1.9
265.11023	1.6
295.15778	1.5
309.00708	1.8
355.14230	100.0
373.15332	6.4
374.07056	1.4
397.15228	38.6
397.20029	2.7
407.02887	1.8
415.03229	2.7
433.04544	10.0
434.04608	1.5
441.15231	4.5
441.20990	8.4
441.26453	3.7
447.38568	1.3
459.05786	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	441.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	24.9
67.05499	3.1
69.03420	1.1
69.07069	3.3
69.87415	3.4
69.87820	1.6
70.06586	1.0
71.95218	0.9
74.97638	1.0
77.54532	0.9
79.05489	3.7
81.07053	23.1
84.96035	11.7
85.02903	1.0
91.05491	1.2
93.07052	3.1
95.08591	7.3
97.08063	0.9
97.96798	1.9
98.97579	100.0
102.97063	1.9
105.07027	1.7
107.04982	1.1
110.97559	8.2
112.99126	13.5
115.97871	1.9
116.98616	77.5
117.07043	1.1
117.12668	0.9
119.08551	1.2
121.10178	1.3
128.98608	14.6
131.00166	29.7
133.10106	1.2
134.99660	37.1
137.05971	1.3
137.13220	1.5
140.00162	3.1
140.98615	2.4
142.96527	2.3
143.00162	3.2
144.98116	3.8
146.99655	16.0
149.01221	31.5
153.00719	4.3
156.98045	1.0
158.01289	1.6
158.99649	37.6
160.97600	4.3
161.01225	6.4
162.99159	7.5
165.00748	2.5
165.09088	3.1
167.02255	3.1
168.35097	0.9
170.99654	2.8
173.01210	21.2
174.99069	5.3
177.00714	57.2
178.98650	1.6
184.97482	1.9
185.01257	2.1
186.99225	1.6
189.00734	6.5
191.02264	28.9
191.04021	1.4
193.00243	2.6
193.04839	1.8
195.01764	6.2
199.02759	1.2
199.14748	0.9
200.02328	3.6
201.00668	7.4
202.98656	9.0
203.02296	1.5
205.00206	1.8
209.03377	2.3
211.10060	2.4
213.00742	1.2
214.03903	2.1
217.00203	2.1
219.01747	24.2
220.99777	1.9
231.01654	1.1
235.01276	1.4
237.02803	33.7
242.03418	1.8
244.99712	11.0
249.02995	1.1
253.02321	4.3
253.11154	4.1
255.03821	1.7
259.01202	1.5
259.62329	1.0
260.04449	2.1
261.02802	1.8
263.00766	4.5
277.02344	3.7
279.03839	1.4
287.03723	2.9
289.05106	1.8
303.00992	1.6
305.02185	1.1
355.10785	1.0
355.14230	70.8
373.15335	79.2
374.15659	1.8
383.57620	1.1
396.16882	4.5
397.15323	41.6
415.16360	10.8
441.15182	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	441.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94154	1.2
53.11917	1.2
55.05488	1.1
55.71499	1.0
56.91265	1.0
56.96561	18.8
69.88097	5.9
79.05496	1.4
80.22222	1.1
81.03412	3.3
81.07063	9.1
82.58027	1.1
84.96037	11.6
85.02893	2.0
91.05446	2.9
93.07031	2.0
95.08588	3.3
98.97578	100.0
102.97066	1.3
105.07030	2.6
107.08597	3.1
110.97572	5.5
112.99117	12.0
116.98618	62.6
119.08605	2.0
124.95444	1.7
127.03915	2.7
128.98610	9.4
130.99190	1.8
131.00166	30.9
133.10184	1.4
134.99655	24.1
140.00197	2.6
142.96507	1.6
143.00192	3.6
144.98097	4.7
146.99654	7.4
149.01216	24.0
152.98654	1.2
153.00681	2.4
154.01808	1.3
158.99652	32.6
160.97601	3.2
161.01228	4.3
162.99179	5.8
165.09128	1.5
167.02275	2.7
170.99673	2.6
173.01210	16.5
175.11218	3.9
177.00700	44.2
184.97603	1.4
189.00655	2.2
191.02255	21.7
191.88257	1.1
193.04974	3.3
195.01714	6.3
200.02312	3.1
201.00674	5.3
202.98625	7.1
219.01764	21.6
221.35556	1.2
229.03241	1.8
229.11116	1.7
234.12186	1.9
235.13054	3.3
237.02788	34.1
238.03462	1.2
244.99698	4.2
249.14609	4.7
255.03893	3.7
261.02975	1.3
279.03809	1.2
289.05225	1.4
295.11597	1.3
347.61871	1.1
355.14246	56.6
356.14944	1.6
373.15341	85.3
374.15652	2.2
396.16876	3.3
397.15240	39.5
409.14725	5.7
415.16360	44.3
441.17477	45.2
454.00391	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63232	1.0
56.26833	1.0
56.96559	15.8
58.05869	1.2
61.67028	1.2
67.04788	1.1
67.05484	2.0
69.03428	2.6
69.07047	2.0
71.59760	1.5
79.05482	2.8
81.03418	2.4
81.07051	12.1
84.96028	11.5
85.02876	2.8
85.58574	1.2
87.00835	1.9
91.05479	2.7
93.07063	1.5
95.08605	3.1
97.02864	1.2
98.97575	99.6
105.06993	2.9
105.55135	1.1
107.05003	1.3
107.08607	1.5
109.02874	2.1
109.10167	1.6
110.97572	4.9
112.99126	12.8
116.98614	65.9
119.08566	3.0
121.06490	1.2
121.10100	1.4
127.03866	1.6
128.98610	11.2
131.00169	27.4
133.10097	1.2
134.99648	29.6
135.03299	2.0
135.11685	1.1
140.00169	2.2
140.98573	3.3
142.96474	2.4
143.00150	3.3
144.98062	3.4
145.09981	1.3
146.99683	7.5
147.11623	1.6
149.01224	25.2
153.00684	2.8
158.01270	2.1
158.99641	33.9
160.97566	3.3
161.01186	3.7
162.99110	6.9
165.09050	2.0
167.02214	2.5
169.94881	1.1
170.99622	4.0
173.01213	22.0
175.11139	5.0
177.00699	50.0
181.00230	1.3
184.55806	1.3
184.97600	1.8
189.00687	3.2
191.02249	24.8
193.04980	3.5
195.01787	3.9
200.02361	2.6
201.00706	5.6
202.98611	8.6
214.03789	1.4
219.01749	20.8
228.54233	1.1
229.03110	2.2
229.10995	1.2
233.11537	1.5
234.12192	2.9
235.13010	4.7
237.02823	41.7
242.03380	1.8
244.99638	6.7
249.14568	4.4
255.03923	2.8
263.00662	1.5
270.07608	1.4
289.05310	3.5
307.11801	1.3
355.14215	66.9
373.15317	100.0
396.16785	4.9
397.15253	49.0
409.14597	5.6
415.16367	51.7
441.17538	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01868	2.7
56.96558	19.5
57.03456	1.7
60.46074	1.6
62.70617	1.6
69.03432	9.0
69.68843	11.2
70.06592	8.4
71.04953	3.1
72.08137	2.7
79.05477	2.8
81.03397	5.4
81.07038	2.3
82.06561	4.0
83.04990	3.6
84.04518	1.6
84.08106	2.6
84.87259	1.5
84.96043	8.5
85.02915	8.8
86.09694	3.2
88.96329	1.7
91.05474	14.4
93.07018	4.5
94.06547	1.7
95.04948	1.9
97.02876	4.3
97.96821	4.0
98.20766	3.5
98.97575	40.1
99.04455	2.5
105.01891	2.2
105.07000	7.2
107.04960	2.8
107.08568	3.2
109.02861	3.7
110.07163	3.5
110.97554	8.2
112.99027	1.8
115.97831	2.5
116.98608	24.1
117.07005	2.3
119.04964	2.7
119.08553	3.3
121.06496	2.2
127.03902	4.4
128.98605	19.8
131.00194	2.6
131.08549	2.6
133.06424	2.5
134.99655	12.2
136.07576	4.6
143.00143	5.6
144.98105	3.4
146.99640	16.1
147.04405	2.2
147.11702	3.4
152.98593	4.5
158.99623	8.4
159.02937	1.8
161.01175	7.7
162.99173	3.1
165.00751	2.1
165.02139	2.3
170.99683	7.6
173.01198	4.1
175.03880	3.6
175.11194	13.1
177.00710	11.9
177.12804	2.1
180.10187	3.2
181.10548	2.3
182.18465	1.7
183.03331	1.9
189.00687	6.1
193.04956	100.0
201.00681	3.8
207.01622	2.3
207.03278	16.9
207.06412	2.0
219.01695	16.7
219.03326	1.6
225.04269	10.5
237.02798	37.0
247.67130	1.6
255.03999	2.7
260.04254	2.5
261.04416	1.8
272.92456	1.9
276.69159	1.7
302.11938	2.3
309.06421	16.7
314.30423	1.8
318.13898	2.2
327.07477	69.8
328.07907	3.2
423.13864	7.0
429.24063	1.7
441.10965	81.0
442.11218	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	441.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46211	0.1
53.03935	0.1
61.02903	0.1
66.74281	0.1
67.01860	0.7
68.99767	0.5
69.03399	0.3
69.07039	0.1
69.50941	0.4
69.51368	0.4
70.06580	0.4
79.05477	0.1
81.03402	0.2
83.04973	0.1
84.08126	0.1
85.02895	0.7
86.09725	0.1
87.00822	0.1
91.01837	0.1
91.05449	0.3
95.04967	0.2
97.02882	0.2
105.01843	0.1
105.07021	0.1
107.04964	0.1
109.02852	0.4
115.95620	0.1
116.07098	0.1
119.04918	0.2
119.08583	0.1
121.06482	0.1
125.05982	0.6
127.03916	0.5
129.10265	0.1
137.05977	0.2
147.04385	0.8
151.03900	0.4
153.01826	0.5
165.05426	0.1
169.04935	0.5
173.46219	0.1
175.03864	0.2
193.04950	100.0
194.05284	2.7
355.10248	0.4
441.10266	1.3
441.16202	0.2
442.10553	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	441.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64283	0.1
55.01873	0.1
67.01859	0.8
67.05481	0.2
68.99780	0.5
69.03414	0.4
69.07048	0.1
69.93454	0.2
69.93863	0.5
70.06590	0.7
71.04955	0.2
72.08154	0.2
79.05473	0.2
81.03402	0.4
81.07035	0.1
82.06579	0.8
83.04961	0.3
84.08134	0.2
85.02890	0.9
85.07661	0.2
85.62405	0.1
86.09705	0.1
87.00804	0.1
91.01876	0.1
91.05475	0.4
93.07028	0.3
95.04972	0.2
95.08598	0.2
97.02882	0.3
97.06548	0.1
98.97598	0.2
99.04464	0.1
100.03990	0.1
100.07613	0.1
105.07014	0.3
106.49529	0.1
107.08577	0.2
109.02881	0.2
109.10120	0.1
111.04440	0.1
116.98575	0.1
117.92160	0.1
119.04920	0.2
119.08560	0.4
120.08057	0.1
121.10200	0.2
123.04411	0.1
125.06019	0.6
127.03922	0.6
129.10303	0.1
130.04965	0.1
133.10130	0.2
135.08029	0.1
137.06013	0.2
145.04918	0.1
145.10094	0.2
146.04439	0.3
147.04401	0.6
149.09637	0.2
151.03859	0.5
153.01863	0.7
153.09129	0.2
165.05423	0.1
167.07048	0.1
169.04971	0.6
175.07101	0.2
175.14799	0.7
177.16202	0.1
193.04958	100.0
194.05289	2.1
222.16982	0.1
244.82922	0.1
289.05331	0.1
297.10031	0.1
314.13708	0.1
315.10910	0.2
324.14282	0.2
343.21057	0.1
441.16861	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26912	0.1
67.01850	0.4
68.99780	0.5
70.72181	0.2
70.72550	0.3
81.03454	0.2
85.02900	0.7
91.01824	0.2
109.02828	0.2
109.46664	0.1
115.08502	0.1
125.05972	0.5
127.03905	0.5
136.55313	0.1
147.04433	0.7
151.03862	0.4
151.55441	0.1
153.01804	0.6
162.05557	0.1
169.04944	0.5
177.59918	0.1
193.04951	100.0
194.05275	2.1
224.53331	0.1
355.10062	0.5
406.99625	0.1
441.10269	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.6
57.03434	4.5
57.06817	1.8
57.07077	21.8
62.06090	25.5
65.28339	1.1
67.05505	5.0
69.07079	5.1
70.44323	3.4
71.08630	15.9
76.57990	0.8
77.67651	1.0
78.35786	0.9
81.07050	6.7
83.08628	2.7
85.10186	8.8
89.05996	1.2
95.08604	7.8
97.10138	1.5
98.98481	4.2
107.71831	1.1
109.10162	3.8
124.01600	1.4
135.74649	1.1
149.01268	1.0
155.01065	7.3
175.08633	1.0
216.06314	1.9
225.22324	2.2
254.81685	1.2
268.26355	12.5
299.25812	100.0
300.26096	1.7
379.22433	6.7
422.26624	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.1
55.03959	0.1
67.01856	0.7
67.05473	0.1
68.99774	0.4
69.03408	0.3
69.79691	0.5
70.06567	0.2
71.04967	0.2
79.05457	0.1
81.03396	0.2
81.07058	0.1
83.04955	0.1
84.08115	0.1
85.02906	0.6
87.00796	0.1
87.04439	0.1
91.01846	0.1
91.05466	0.2
93.07024	0.2
95.04968	0.1
97.02881	0.2
97.06527	0.1
98.20889	0.1
103.05469	0.1
105.01842	0.1
105.07025	0.2
109.02858	0.3
117.07023	0.1
119.04938	0.1
119.08556	0.1
121.06480	0.1
123.04353	0.1
125.05978	0.6
127.03896	0.5
131.08531	0.1
133.10107	0.1
145.05028	0.1
147.04382	0.7
151.03873	0.4
153.01816	0.7
159.02937	0.1
165.05476	0.1
165.09183	0.1
169.04955	0.5
171.02719	0.1
175.03896	0.1
175.11119	0.2
177.12666	0.1
193.04941	100.0
194.05280	2.3
205.12234	0.1
231.04970	0.1
245.79373	0.1
249.83676	0.1
277.82263	0.1
355.10205	0.5
441.10336	1.0
441.16864	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	440.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	14.0
55.01864	19.0
55.05505	11.0
56.96568	5.3
57.03429	9.8
61.02916	8.7
65.03918	4.8
67.05491	22.2
69.03428	52.0
69.07033	5.8
69.32518	19.6
69.32951	22.1
70.06577	6.3
71.04978	13.8
73.02893	11.0
79.05487	30.4
81.03413	39.6
81.07047	15.1
83.04994	5.9
85.02901	100.0
87.00821	33.3
91.05473	89.1
93.07035	13.2
95.04971	13.2
95.08584	8.1
97.02883	32.4
98.97594	6.7
99.04437	14.7
103.05471	6.1
105.01860	27.7
105.07027	31.3
107.04944	9.3
107.08607	6.6
109.02850	31.7
109.06520	5.8
109.10105	5.2
115.03959	6.8
115.05445	30.6
116.06268	13.4
116.98598	4.7
117.01879	4.2
117.07025	51.9
119.04964	5.4
119.08566	6.8
121.10152	7.1
123.08047	5.6
127.03909	61.6
128.06213	25.7
129.01830	6.9
129.07024	52.3
131.04906	5.9
131.08553	46.2
133.06480	7.8
141.06999	13.4
142.07771	20.6
143.08604	5.1
145.04947	17.3
153.01735	5.9
153.07045	6.0
155.08611	7.8
157.10100	11.4
159.02908	24.8
159.11668	12.1
161.05980	7.2
165.06946	6.4
167.08481	6.2
169.10129	6.3
175.11267	4.2
185.09650	4.3
213.04012	6.7
231.05045	11.2
240.61525	4.3
324.22046	5.0
440.26987	40.8
441.15448	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	440.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	4.6
58.99575	8.1
67.05506	3.1
67.15845	1.6
69.03405	4.0
70.06583	9.3
70.85101	6.3
72.08154	2.1
76.02217	14.2
80.05002	4.1
81.03420	4.1
81.07069	2.1
82.06580	2.5
84.04490	2.7
84.08150	4.0
85.02889	3.4
86.09706	7.9
91.05457	11.2
94.06570	12.2
95.04928	2.1
97.02951	3.4
98.97581	7.9
100.02193	8.1
105.00062	2.2
110.06030	4.0
110.07176	11.9
110.97569	2.0
116.21010	1.8
116.98615	6.7
119.04919	2.2
122.05997	2.2
124.35184	2.1
127.03882	1.9
128.98624	3.6
134.99597	3.2
135.08896	2.1
136.07614	4.0
138.05495	2.2
141.84123	2.7
143.08260	2.1
146.02715	9.2
147.04443	2.6
150.05530	2.9
158.99698	2.6
163.03860	2.1
164.07074	4.6
175.08702	3.4
177.00725	3.8
180.10181	39.1
185.10622	2.2
186.09167	6.0
188.03738	3.4
193.04964	21.9
196.04251	2.1
196.07622	3.7
198.09177	7.9
200.06982	3.1
200.10735	3.3
207.03247	3.1
207.06525	3.5
213.10190	15.3
213.12030	2.8
214.08673	6.5
215.11784	7.2
217.09741	7.6
227.08113	2.0
227.11771	2.9
228.10152	2.4
235.10732	8.2
237.02803	8.7
239.08218	4.0
240.09006	7.8
241.09711	43.2
242.08035	3.0
243.11259	26.0
254.06187	2.2
254.10506	2.8
255.11232	7.9
258.12448	13.9
259.10730	35.3
271.08862	2.8
271.13287	2.9
273.12180	2.5
275.08127	2.1
283.10718	11.3
284.09048	2.6
285.12280	17.6
286.09518	2.2
299.08481	4.0
301.11823	35.5
302.10083	4.8
303.13318	6.6
309.06622	3.1
317.13742	28.1
318.12656	6.6
319.12909	10.0
327.07614	13.0
333.08676	2.2
360.13815	2.5
362.11722	10.1
363.09967	5.9
378.14758	2.6
404.12796	26.2
405.11032	9.7
422.13821	100.0
423.12314	10.4
441.10651	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	439.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
55.01853	2.7
55.05503	2.5
56.05014	1.3
56.96544	1.3
57.03430	1.1
65.03933	0.8
66.14240	0.7
67.05481	2.5
68.05012	0.9
69.03426	30.0
69.07052	3.4
70.06586	6.2
71.04971	4.0
71.36938	0.9
71.37272	1.3
72.04496	1.6
72.08145	2.1
73.02924	4.6
74.02425	4.0
74.41232	0.7
74.58856	0.7
79.05488	4.8
80.05002	2.8
81.03413	15.9
81.07047	6.6
82.02926	2.2
82.06561	3.0
83.01332	8.1
83.04957	1.8
83.08601	0.8
84.04492	2.0
84.08129	3.8
85.02903	6.1
86.09689	2.6
88.03958	0.8
91.05452	3.6
93.05771	1.5
93.07047	6.5
94.06555	0.9
95.04950	1.5
95.08588	4.9
96.08098	1.3
97.02879	3.6
97.06490	1.3
98.06031	3.2
98.09686	1.1
99.04451	17.3
99.05479	1.1
100.03967	12.0
101.02354	4.1
102.05526	13.8
105.07014	3.1
107.08592	5.8
108.04426	1.0
108.08109	53.9
109.02851	0.8
109.06506	1.7
109.08961	1.0
109.10120	2.1
110.07145	1.5
110.09672	5.3
111.04430	1.0
117.07005	1.4
118.05013	2.8
119.03397	1.5
119.04810	0.8
119.08567	3.4
120.08061	1.7
121.06493	1.2
121.10121	2.8
122.09658	5.9
123.08042	0.8
123.10446	2.3
123.11696	1.2
124.11187	2.5
127.03915	1.5
128.03436	1.2
129.10268	0.9
131.08562	1.4
133.10101	3.0
134.09633	1.0
135.08072	1.1
135.11694	5.4
135.64369	0.7
136.07550	2.6
136.11194	2.4
143.08603	1.0
145.10083	0.9
146.04472	75.6
147.04756	1.4
147.08017	0.8
149.09496	0.8
149.13231	1.2
150.12775	22.3
150.13968	1.2
151.13557	7.1
152.14330	87.5
153.12714	1.0
153.14755	1.2
154.15904	6.5
155.14282	1.8
161.05911	1.0
161.13223	1.1
162.12708	0.9
163.03851	1.3
163.14705	0.8
164.07014	1.3
165.07904	1.1
166.15971	1.0
166.95139	0.7
173.13255	1.7
173.15350	1.3
178.15881	4.2
179.14308	0.8
182.08083	1.7
190.15881	1.0
191.06880	0.9
191.14276	2.7
191.15933	0.8
196.16943	30.7
197.60068	0.7
198.11182	0.8
206.15535	1.2
208.13239	4.8
208.17035	2.4
209.15315	1.0
210.14857	4.4
233.16425	2.2
234.14850	1.7
237.02814	1.2
252.15926	34.9
253.16418	1.2
253.19086	2.8
254.17494	3.1
279.16959	2.6
279.20590	1.1
280.15424	35.9
280.18552	1.8
281.15759	1.8
282.17014	3.7
296.18570	2.4
297.18076	78.5
298.18292	1.8
299.19635	5.3
323.19431	1.6
324.18036	33.8
341.20688	100.0
342.20728	4.1
351.22754	1.8
361.03268	1.0
377.20486	1.1
395.21338	7.5
395.26160	1.4
421.23148	1.1
439.15607	26.0
439.24283	31.9
440.15964	2.1
440.24945	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
54.03461	1.4
55.01876	4.2
55.05508	5.3
56.05029	4.5
56.96566	4.6
57.03434	5.1
57.07051	1.6
59.04988	2.1
67.05495	8.7
69.03427	36.1
69.07063	6.0
70.06210	1.0
70.06586	25.9
70.97298	3.3
70.97665	2.6
71.04989	6.9
72.04504	2.2
72.08142	9.6
73.02922	9.6
74.02438	3.3
79.05501	6.5
80.05010	3.2
81.03419	30.3
81.07051	14.1
82.02939	3.2
82.06577	6.5
83.01334	7.5
83.04977	6.6
83.06087	1.8
83.08606	3.6
84.04515	9.0
84.08137	11.8
85.02900	18.6
85.06545	3.5
85.07668	1.5
86.09712	11.0
87.00826	2.8
87.04467	1.6
88.04014	1.8
91.05470	7.8
93.05791	1.7
93.07033	18.3
95.04952	6.5
95.08600	10.8
97.02873	8.7
97.06546	3.7
98.06041	3.7
98.97581	5.8
99.04457	18.7
99.05526	2.0
100.03979	13.6
101.02380	4.0
101.07127	1.7
102.05531	12.8
105.01905	2.2
105.07019	8.5
107.08598	14.9
108.08117	61.4
109.02869	13.0
109.06550	4.3
109.10163	4.9
110.07167	16.2
110.09679	5.7
111.04422	2.9
112.08669	1.5
113.05992	1.9
115.03921	1.6
115.05457	1.2
116.07043	1.8
116.98645	4.4
117.06989	1.6
117.09084	3.7
118.04996	4.2
119.03404	2.6
119.04970	4.0
119.08589	8.6
120.08086	9.9
121.06491	2.0
121.10145	10.7
122.07137	1.7
122.09653	7.5
123.04452	2.7
123.08085	3.4
123.11729	3.0
124.11252	2.8
125.22144	1.5
126.05554	1.6
127.03923	13.6
127.07512	2.0
129.06984	1.6
129.10234	6.0
130.05035	3.8
131.08644	3.1
131.52586	1.6
133.10158	5.2
134.99683	2.8
135.04387	2.2
135.08069	4.3
135.11713	7.2
136.07590	4.9
136.11195	3.2
143.00119	1.8
145.04982	1.7
145.10097	2.5
146.03308	3.7
146.04472	72.3
147.08002	2.3
147.11679	3.8
149.09671	3.4
150.12778	26.4
151.03951	2.4
151.13553	6.7
152.07120	1.8
152.14339	86.6
153.09178	2.4
154.15944	4.7
155.14355	4.3
159.08054	3.2
161.06012	2.0
161.13293	2.8
163.03911	6.7
164.14305	1.9
167.07059	3.3
173.09630	2.4
173.13179	7.5
173.15378	1.5
177.00740	1.8
177.05402	3.7
178.15903	4.1
180.13879	2.5
191.14310	5.8
196.16963	25.9
201.00653	2.4
207.13818	2.2
208.13356	5.2
208.16959	3.3
209.15471	3.1
210.14922	5.5
213.03955	2.7
213.12265	1.9
217.08586	2.2
237.02902	1.8
237.31444	1.7
252.15942	36.8
254.17464	2.2
277.11035	1.8
277.15311	2.1
279.09973	5.3
279.17163	1.7
280.15436	35.0
281.15540	2.0
282.17087	1.9
296.18683	2.8
297.18073	100.0
299.19656	3.1
324.18033	33.8
341.20688	69.8
342.21127	2.9
379.92130	1.7
395.21585	18.6
395.25400	1.7
403.17267	1.8
421.18625	2.1
439.11499	3.0
439.24710	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	439.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01858	1.1
55.05505	4.2
56.96551	0.9
57.03417	0.9
57.07054	0.7
61.02912	0.9
65.03931	1.2
67.05502	5.2
68.99762	0.7
69.03421	7.5
69.07056	3.5
70.06595	2.2
71.04981	1.2
71.08612	0.8
71.59975	0.7
72.08122	0.7
73.02906	0.7
74.62141	0.4
79.05483	7.1
81.03418	3.3
81.07051	7.6
82.06549	0.7
83.04978	3.5
83.08589	1.1
84.08131	1.6
85.02901	5.0
85.06552	0.7
85.55244	0.4
86.09691	1.7
87.00832	1.4
91.05472	8.6
93.07043	6.0
95.04959	5.1
95.08600	2.6
97.02877	2.4
97.06519	1.5
98.09690	4.7
99.04434	0.7
100.07585	1.1
100.11250	1.7
103.05476	0.6
105.01859	1.8
105.04491	0.4
105.07024	9.7
107.04926	4.0
107.08588	17.6
109.02888	2.5
109.06518	3.0
109.10150	8.0
110.06053	0.5
110.07176	0.6
111.04425	2.1
111.08070	0.8
112.07573	0.5
115.05458	2.1
116.06196	0.4
117.07003	3.2
119.08580	4.7
120.08056	0.6
121.06506	3.0
121.10132	10.9
122.07284	5.7
123.04382	0.6
123.08063	1.3
123.11693	0.6
124.07552	0.6
125.06058	0.4
125.09628	0.6
127.03923	3.9
128.06232	0.9
128.07085	1.1
129.05431	0.4
129.06978	1.4
129.10258	0.4
131.04863	0.5
131.08534	3.9
133.10120	100.0
134.10472	1.3
135.04373	0.5
135.08041	6.5
135.11684	1.9
137.05980	1.8
137.09604	47.2
138.09970	0.7
143.08534	1.5
144.09358	0.5
145.04956	0.9
145.06387	0.6
145.10132	2.8
147.08075	0.7
147.11639	2.1
149.09628	7.6
149.13240	8.1
151.07530	0.5
151.11235	1.0
156.09296	0.6
157.10188	0.6
158.10870	1.5
159.02936	0.9
159.07996	0.6
159.11687	1.6
161.05986	0.8
161.09598	1.0
161.13292	1.0
163.03952	1.0
163.07565	0.7
163.11186	0.7
163.14824	1.7
165.09045	0.5
167.06996	0.5
168.13857	1.7
169.10088	0.4
170.15367	2.6
171.11720	1.0
173.09550	0.8
173.13239	7.1
175.11191	0.8
175.14833	1.1
179.07056	0.7
182.15442	1.6
187.11171	0.5
187.14769	0.6
189.12756	1.2
191.14293	38.6
192.14651	0.9
196.13289	1.8
198.14919	3.3
199.11194	0.5
201.03764	0.5
201.12708	0.7
209.16568	0.5
210.14787	2.0
213.03900	0.5
215.14403	0.6
225.16005	1.4
231.05077	0.9
231.13857	0.5
233.15369	0.9
246.38618	0.4
257.15421	0.5
295.23758	0.8
299.16589	0.7
305.04938	0.4
312.26218	0.8
335.18533	0.7
337.21298	0.8
353.15808	0.5
354.23672	0.7
365.12762	0.7
395.16644	1.5
397.98410	0.5
403.17654	0.7
422.30121	1.9
439.15854	5.1
439.23669	8.3
439.32297	2.1
440.23309	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01853	0.6
55.05511	0.9
57.03439	0.9
60.62634	0.5
65.03942	0.7
67.05498	2.6
69.03432	2.8
69.07062	1.6
70.06589	4.5
70.85075	1.4
71.04982	5.6
72.08145	2.9
74.02435	1.2
79.05488	2.2
81.03403	2.0
81.07060	9.0
83.04957	0.8
84.04496	1.4
84.08135	2.0
85.02904	3.7
85.06522	1.4
86.09694	3.3
87.00813	1.1
91.05475	4.5
93.07037	1.0
95.04976	1.0
95.08614	7.5
96.04472	0.7
97.02884	1.6
98.06051	0.9
99.04464	1.6
99.05570	0.8
102.05505	0.5
105.07012	1.8
107.08617	1.2
108.68387	0.5
109.02882	1.0
109.06522	0.8
109.10158	0.7
110.07156	2.1
116.07105	2.0
120.08099	2.8
127.03927	1.7
128.06264	0.7
129.10211	1.1
131.08589	0.6
132.08072	0.6
133.10143	1.0
136.07607	0.6
137.13280	2.4
146.04506	3.5
155.14302	10.9
161.05968	1.2
163.07150	2.7
163.11166	0.7
173.15356	5.0
179.06969	0.9
191.16411	1.2
219.01913	0.6
237.02995	0.6
293.09970	2.4
311.09592	1.2
327.07422	0.6
341.17148	0.8
439.15781	100.0
440.15924	1.5
441.73099	0.7
463.60635	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.5
53.24255	1.7
55.01862	6.6
55.05513	9.4
57.03428	6.9
57.07082	5.7
61.02930	3.7
65.03913	2.6
67.05507	15.6
68.99809	4.1
69.03425	32.1
69.07066	8.1
70.06580	7.3
71.04990	5.8
71.20578	4.0
73.02912	3.8
79.05483	15.9
81.03415	36.5
81.07056	27.7
82.06562	2.6
83.01331	5.1
83.04976	10.0
83.08607	6.8
84.08144	3.2
85.02911	26.0
85.06541	4.5
86.09697	3.3
87.00829	10.3
87.04480	2.1
91.05477	24.1
93.07044	18.8
95.04978	14.2
95.08610	21.6
97.02892	31.3
97.06509	8.4
98.06063	3.1
99.04452	14.3
100.03978	5.7
102.05533	6.0
103.05470	3.0
103.68063	1.6
105.01900	3.1
105.07032	26.9
107.04945	4.7
107.08588	33.9
108.08125	17.4
109.02880	24.4
109.06516	19.1
109.10162	22.2
110.07163	3.6
110.09660	2.2
111.04440	7.7
111.08099	11.3
115.03915	3.8
117.07047	8.4
119.04947	3.5
119.08580	36.1
121.06495	5.6
121.10144	27.9
122.09676	3.6
123.04424	4.7
123.08084	25.7
123.11712	6.8
124.07584	5.7
125.05968	2.6
125.09606	2.1
127.03912	35.3
129.06960	4.9
130.05016	2.0
130.07765	1.8
131.08569	37.1
133.06499	4.4
133.10129	27.0
135.04494	2.0
135.08054	16.1
135.11703	12.7
136.07570	4.2
137.05975	9.3
137.09630	4.3
137.13356	1.7
139.07530	1.8
139.11208	2.2
140.57379	2.1
143.08554	4.9
144.09322	1.9
145.05049	3.9
145.06435	5.3
145.10139	13.7
146.04469	25.1
147.02937	2.0
147.04443	2.1
147.08029	7.6
147.11690	10.8
149.05960	2.7
149.09576	9.5
149.13255	12.7
150.10374	2.5
150.12811	5.1
151.07582	6.1
151.13548	1.9
152.14343	27.0
153.09120	4.7
156.09322	3.5
157.10143	5.9
158.10953	2.8
159.02867	3.5
159.08035	2.9
159.11732	3.1
161.05988	4.1
161.09641	3.6
161.13260	2.8
163.07516	6.9
163.11172	6.1
163.14880	4.6
165.09108	5.2
165.12724	1.8
171.10196	4.4
171.11664	3.7
173.09694	3.9
173.13264	36.5
173.14709	3.5
175.03865	2.1
175.14790	11.5
178.15848	2.8
182.08052	2.0
185.13309	2.0
189.03934	2.1
189.12772	8.2
191.07031	21.0
191.14304	100.0
192.14638	3.5
196.16919	10.8
201.03946	2.9
203.14354	5.6
207.06581	2.9
207.13850	2.9
208.13214	3.2
208.16904	1.9
209.15390	4.9
213.04047	2.8
225.14807	2.5
231.05016	4.4
233.15346	4.4
237.02832	2.1
252.16002	9.6
257.15460	3.1
275.16473	2.4
280.15475	15.1
281.15268	4.6
289.15439	2.1
291.07657	3.9
297.18115	22.3
299.16513	4.2
308.15054	4.1
309.08505	4.3
317.17722	3.6
324.18094	13.5
335.18588	2.8
341.20709	34.0
353.19495	3.9
403.17728	2.0
421.18619	9.8
429.55258	2.0
439.09991	3.2
439.19055	14.3
439.25171	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	438.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.6
56.61781	1.5
57.07074	80.4
62.81123	1.3
69.07063	10.0
69.36715	15.1
71.08631	76.0
81.07040	1.4
83.08609	5.3
85.10181	43.4
89.06030	100.0
97.10175	2.9
99.11726	8.1
107.07083	5.3
111.11709	3.5
113.13285	5.4
127.14825	4.6
130.08620	3.1
133.08606	73.1
151.09653	8.0
177.11241	15.5
181.98444	1.6
195.12270	4.4
221.13878	1.5
227.23578	2.2
239.14886	59.0
239.17308	3.1
271.26306	3.0
302.48071	1.7
315.29144	2.8
340.29358	3.2
421.35242	37.5
422.35623	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.8
55.05508	9.6
57.03436	7.1
57.07074	6.2
60.45885	1.2
62.06090	36.5
64.64826	1.1
67.05503	15.9
69.07067	17.1
69.89151	1.2
70.06592	1.5
70.65695	4.3
71.08631	2.2
73.02918	1.5
79.05485	8.2
81.07058	16.2
83.08617	12.6
88.07630	1.8
91.05462	1.6
93.07043	12.0
95.07253	1.3
95.08617	10.0
97.06538	11.6
97.10167	5.6
98.06046	2.0
98.20821	1.6
98.98463	15.5
105.07050	1.4
107.08613	6.4
109.10174	6.0
109.11180	1.3
121.10127	15.4
123.11655	2.3
124.01604	2.7
129.05476	7.6
133.10071	1.4
135.11678	8.0
149.13252	3.3
152.04417	1.3
155.01042	6.7
163.03928	1.6
163.14752	1.8
173.02127	4.2
191.37854	1.5
198.05338	2.8
205.19482	8.7
208.06958	1.7
216.06364	3.8
223.20546	8.5
266.24820	15.5
268.39157	1.3
269.42346	1.5
297.24237	100.0
298.24628	1.9
377.20795	2.1
404.56781	1.4
420.25351	2.1
438.30954	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	438.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01865	2.0
55.05507	1.0
56.96552	0.9
57.03437	1.3
59.04995	1.3
61.02925	1.7
62.33854	0.3
62.39316	0.4
67.05506	0.7
68.99766	0.7
69.03429	7.8
69.07063	4.3
69.56568	2.5
70.06589	0.5
71.04999	1.0
71.08629	49.7
72.08969	0.4
73.02915	1.6
75.93969	0.3
79.05487	0.6
81.03414	5.9
81.07062	1.2
81.29169	0.3
83.08597	0.5
85.02904	17.9
87.00829	7.6
91.03970	0.5
91.05461	0.8
93.07021	0.8
95.04942	0.3
95.08594	0.6
97.02884	8.9
98.21470	0.5
99.04468	3.5
99.08089	100.0
100.08427	0.5
103.03938	0.4
105.01860	6.7
105.06986	0.4
107.04960	1.3
107.08546	0.5
109.02878	5.4
116.98659	0.4
117.01833	0.8
117.09123	0.7
120.48241	0.3
127.03915	11.3
129.01842	0.9
129.12753	11.3
134.99603	0.5
136.07576	0.6
145.04953	4.3
147.02916	0.5
155.08521	2.6
155.14314	3.2
159.02913	3.4
164.07056	1.0
167.07007	0.6
173.15370	65.5
174.15691	0.5
189.87482	0.4
197.01285	0.8
202.83308	0.3
207.03207	0.4
213.03964	0.7
231.05083	2.1
257.12906	1.1
269.41150	0.3
355.44327	0.4
375.97455	0.4
438.20374	0.7
438.25830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.01860	1.3
55.05502	0.9
56.96320	0.6
56.96565	5.0
57.03411	1.3
57.07061	1.8
61.02900	0.6
63.61338	0.5
67.05488	2.1
69.03427	3.4
69.07054	1.4
69.62885	2.2
69.63309	1.9
70.06570	0.7
71.04639	0.8
71.04990	10.5
73.02908	1.2
79.05471	1.5
81.03405	3.7
81.07053	5.0
84.96034	1.2
85.02902	7.9
85.10167	5.7
87.00837	3.1
91.03963	0.5
91.05479	0.9
93.07036	2.4
95.04942	0.7
95.08610	5.3
97.02885	4.0
98.97575	7.2
99.04436	1.6
105.01848	2.4
105.07021	1.2
106.54581	0.6
107.04964	3.5
107.08594	1.9
108.05283	0.8
109.02862	2.0
109.10147	1.0
110.97577	1.4
113.09673	5.3
116.98609	7.4
119.08559	0.7
120.08050	0.8
121.06429	0.6
123.04402	1.1
127.03911	4.4
128.98576	2.2
131.00116	1.3
131.05145	0.5
134.99649	5.0
143.00131	0.5
145.04964	1.7
145.10176	0.6
146.99661	3.2
147.11671	0.7
147.51395	0.6
149.01173	1.3
149.91043	0.6
153.00616	0.9
153.20232	0.6
155.14296	100.0
156.14723	0.9
158.01207	0.7
158.99667	4.8
159.03040	1.4
161.01163	1.5
161.05951	0.9
163.03964	0.8
165.00659	0.7
167.02164	0.6
167.07013	6.1
168.07388	1.4
173.01161	1.3
173.15372	13.5
177.00719	6.5
189.00679	1.1
191.02286	1.4
200.02292	1.2
207.03146	0.7
219.01761	3.2
225.04346	1.0
237.02815	5.5
254.08792	0.8
260.00073	0.6
298.02432	0.6
353.12656	10.7
371.13715	2.1
395.13647	2.4
408.15158	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89801	1.3
53.95150	1.2
55.01878	1.6
55.05507	2.0
56.05022	2.1
56.96569	2.2
57.03402	1.4
57.07070	2.0
67.05496	6.8
69.03405	4.4
69.07060	3.4
70.06236	2.3
70.06585	23.6
70.21020	2.0
70.21365	5.7
71.04977	1.8
79.05484	6.4
81.03421	6.4
81.07053	10.0
82.07355	1.5
83.04957	3.4
83.08622	2.7
84.04510	1.7
84.08139	58.8
85.02897	4.7
85.06590	1.4
85.08444	2.3
85.08921	25.7
86.09686	8.1
89.03909	3.7
91.05470	8.7
93.07036	4.1
95.04962	4.1
95.08604	5.2
97.02888	3.1
97.06552	1.5
98.97633	1.5
105.01859	1.4
105.07004	6.6
107.04942	5.3
107.08587	5.1
109.02834	1.7
109.06499	2.4
109.10150	4.5
110.07156	1.5
111.04445	1.9
111.11697	1.4
115.05420	1.6
116.98650	2.0
117.03367	5.2
117.06998	3.7
119.04884	1.6
119.08548	4.3
119.74487	1.4
120.08157	2.4
121.10138	4.4
123.11703	1.3
127.03895	3.1
129.06990	2.8
131.08562	4.5
133.10118	21.7
135.04417	17.2
135.11708	2.2
136.07587	2.2
137.05928	6.6
137.09631	10.1
137.13216	2.5
143.08578	1.7
145.02829	12.4
145.04951	2.6
145.06471	1.4
145.10120	2.2
147.04379	1.4
147.11734	2.3
149.13258	2.5
155.14299	2.8
159.08124	1.6
161.13396	1.9
162.05496	3.4
163.03891	75.0
173.05986	2.7
173.09509	1.4
173.15317	3.7
177.00723	1.7
179.03464	2.6
181.04956	1.4
182.53008	1.3
187.07608	1.7
191.03380	40.9
191.14265	7.8
193.12183	1.6
201.09064	1.5
205.04941	18.5
211.07474	1.7
214.06210	1.9
228.10115	7.1
229.08560	16.5
246.11246	100.0
247.09633	28.1
300.12695	1.5
303.15933	1.5
319.08185	3.3
329.17776	1.5
333.09500	3.0
344.86063	1.5
348.21915	1.3
365.08664	11.4
375.14322	12.8
379.10214	7.6
420.23660	3.1
421.14886	45.1
421.20651	2.9
422.15100	1.8
438.25131	8.4
439.23724	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	438.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55523	2.0
55.05497	2.2
56.05027	11.5
57.07059	2.2
57.80329	2.0
67.05502	7.8
69.03428	2.8
69.71545	13.2
70.06590	90.5
72.08160	5.8
79.05476	3.2
81.03402	4.3
81.07057	3.1
83.04978	3.0
84.08141	52.4
85.02898	5.2
85.08923	100.0
86.09196	3.6
86.09695	34.0
91.05456	4.1
93.07021	3.5
95.04953	2.2
95.08637	3.6
97.02908	2.2
99.04387	2.0
102.29330	2.5
105.07004	3.7
107.04903	2.6
107.08610	3.5
111.04478	2.4
117.03346	4.1
127.03914	5.2
129.10246	2.6
134.09660	4.0
135.04370	6.9
136.07564	2.6
145.02835	7.3
155.08502	3.0
163.03906	37.6
164.07018	2.3
175.07509	2.3
183.08047	3.1
185.56750	2.3
187.07538	3.9
191.03418	29.3
201.09131	3.9
204.10194	6.5
205.04970	17.5
214.06348	3.3
218.13666	2.7
228.10190	7.4
229.08566	20.0
246.11229	57.7
246.13329	3.0
247.09598	24.3
253.10251	2.6
264.12259	4.7
288.14316	4.4
299.89786	2.2
365.08762	11.3
370.43851	2.6
379.10428	3.6
421.14896	37.5
422.14722	2.5
438.17557	9.1
438.23993	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.6
57.07074	38.4
62.59693	0.6
65.93475	0.6
69.07079	2.2
69.49974	3.5
69.50389	1.3
71.08628	25.7
71.44844	0.5
73.06557	6.1
79.05473	0.8
81.07072	0.9
83.08603	2.2
85.10180	22.9
85.54983	0.5
87.04465	2.3
87.71734	0.6
89.06028	100.0
91.07574	0.8
93.07039	0.7
95.08611	0.6
96.11816	0.7
97.10170	4.1
99.11748	3.6
106.08179	0.5
107.07072	6.3
107.08612	0.7
111.11716	1.0
113.13257	1.1
117.09111	2.0
130.08687	3.0
130.09505	0.6
133.08597	39.8
143.61502	0.5
151.09653	1.4
155.17929	2.7
160.53630	0.6
177.11214	10.2
177.12663	0.8
195.12241	1.1
199.20569	1.1
239.14958	1.3
243.23232	2.2
283.17523	3.9
390.49402	0.6
437.34445	1.5
445.02502	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.05499	2.7
56.05035	36.2
56.96566	7.0
59.06110	1.3
60.04525	7.4
61.01150	17.5
61.57381	0.8
62.97929	0.8
63.02327	0.8
65.03928	1.7
65.63727	0.8
67.05497	2.7
69.03422	3.1
69.07069	9.6
70.02938	1.3
70.06605	6.4
70.10796	4.0
71.05017	1.1
72.08147	2.4
74.06075	2.0
79.05470	1.3
81.03411	2.3
82.06579	1.9
83.04987	6.4
83.06100	1.1
84.04506	14.8
84.08130	3.1
85.02905	3.0
86.09705	90.0
87.05602	13.0
88.03975	2.3
89.03934	2.1
91.05466	2.6
93.03400	1.9
95.04959	3.8
95.08588	0.9
98.06039	3.3
100.03957	1.1
102.05543	3.2
103.05479	1.3
104.05330	100.0
106.05022	1.7
107.04946	2.3
108.52770	1.2
111.04440	5.9
115.05464	1.2
117.03366	2.7
117.07032	1.2
119.01910	1.0
119.04933	5.9
120.08107	1.4
123.04420	1.1
124.07584	1.1
125.07931	0.9
125.10770	1.1
126.05489	1.8
127.03905	1.3
129.05510	1.9
129.10234	1.1
130.04973	0.8
130.06535	2.3
131.04889	1.6
132.08119	1.2
133.06468	1.0
134.03601	1.1
134.05969	1.1
135.04428	7.1
136.07547	0.9
137.05969	1.0
138.05469	1.2
139.03897	2.9
143.00157	2.5
143.04987	1.5
143.08160	35.8
144.08144	1.1
145.02853	3.2
145.06511	1.2
146.04475	3.0
146.06000	2.9
147.04414	16.8
148.07584	2.6
149.05949	0.8
153.06609	0.9
155.11789	1.0
157.05032	1.2
157.06390	1.4
158.06049	1.9
159.04359	0.9
160.07570	1.0
161.01201	4.0
161.05949	2.9
162.03133	1.1
162.05508	8.3
163.02557	1.0
163.03917	19.3
163.06068	0.9
164.03336	1.7
164.07062	3.1
168.97992	0.8
173.05833	1.4
173.09561	1.3
173.12837	10.5
174.05560	2.6
174.09134	1.1
175.03885	2.7
175.07552	1.4
176.07115	7.0
177.05499	1.0
177.07832	1.1
178.04968	1.0
178.08714	6.1
183.11194	4.2
184.07597	0.9
186.05576	2.5
186.99086	2.2
187.03957	2.3
189.10112	1.0
191.08481	15.8
192.06636	2.0
194.11786	1.4
195.03299	1.2
199.08687	1.7
200.07059	5.1
201.10484	1.7
201.12314	10.8
202.05017	7.2
203.08180	1.8
204.06546	5.0
204.10194	2.7
205.00098	0.9
205.07324	1.7
211.39462	0.8
213.04419	2.9
217.09770	7.3
218.08060	1.8
219.07957	19.1
219.11035	0.9
220.06099	3.4
221.01062	1.2
221.02965	5.3
222.07593	2.0
227.08141	2.8
228.06612	1.6
237.09030	37.1
239.02132	5.2
245.05510	1.5
245.09212	12.9
246.07591	1.7
257.03104	4.0
263.06934	1.8
263.10287	8.2
269.12952	1.4
271.04657	1.6
287.14011	1.0
291.06500	1.1
292.32138	0.9
306.11148	5.0
314.15298	7.5
315.01700	2.0
324.12247	7.1
331.05392	1.0
333.02960	4.5
333.06332	1.4
377.07205	4.4
391.14954	2.0
395.07062	0.9
396.12979	1.2
397.13330	1.2
413.07449	1.4
419.14307	2.5
419.19806	2.2
420.12912	1.5
431.90912	0.9
437.09872	1.3
437.15887	19.5
437.21411	1.2
438.16672	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
55.01868	1.7
55.05516	0.4
61.02940	0.3
64.26024	0.4
65.03938	0.9
67.05496	1.1
69.03423	0.6
70.06607	1.9
70.53389	1.3
71.04986	0.7
77.03941	0.5
79.05490	2.0
80.05048	0.5
81.03416	0.8
81.07049	2.5
83.04997	0.8
83.82713	0.4
84.04488	0.7
84.08155	1.2
84.23478	0.4
85.02901	0.7
86.09696	1.7
91.05477	4.5
93.07024	1.9
94.06555	0.9
95.04972	2.8
96.08132	0.8
97.02875	0.9
97.06532	0.5
99.04446	0.4
105.07024	0.9
107.04944	1.7
108.08125	1.9
110.07159	0.5
111.04438	0.5
118.06593	0.5
120.08107	1.2
121.06570	0.5
122.06001	3.3
123.63403	0.4
124.07587	12.2
126.05503	1.7
131.08586	0.8
133.04979	0.4
135.04428	0.4
136.07570	100.0
137.07866	1.0
140.07060	1.7
146.04469	0.5
147.04387	1.2
149.05992	0.8
150.05446	0.5
152.07062	21.4
157.05020	0.5
161.05956	1.2
163.03903	0.8
164.07059	77.4
165.07359	1.3
166.08694	0.4
167.06969	3.5
169.04973	1.1
170.08150	1.2
177.05495	1.6
181.04953	4.5
182.08131	2.2
187.14491	0.5
205.08630	0.6
209.08075	2.9
247.09627	0.6
250.10785	0.8
258.91061	0.4
265.10785	0.7
266.10199	7.5
278.10223	28.7
287.13852	5.7
296.11203	2.0
305.14856	1.1
332.17944	0.4
373.17358	0.9
392.63318	0.5
401.16980	8.4
402.17276	0.5
419.17917	1.0
437.13837	1.3
437.23608	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.01862	0.5
60.06546	0.3
65.03943	0.4
67.05505	1.3
69.03431	0.5
69.07059	0.4
69.65734	2.1
70.06579	0.9
71.04987	1.0
72.08141	0.3
74.02438	1.2
74.92732	0.3
79.05493	1.0
81.03403	0.9
81.05782	0.3
81.07043	1.5
82.02962	0.3
84.08133	0.8
85.02904	0.5
86.09706	2.2
87.68999	0.2
89.70287	0.3
91.05474	3.2
92.05867	0.3
93.05759	0.4
93.07037	2.7
94.06557	1.0
95.04979	1.4
95.08603	0.6
96.08109	0.7
97.02881	0.7
97.06497	0.3
97.68377	0.3
97.99017	0.3
98.75548	0.2
99.05566	1.2
100.03984	0.4
105.04533	0.3
105.07008	0.3
106.06512	0.3
108.04482	0.4
108.08109	1.1
109.02927	0.5
109.27731	0.3
110.07153	0.3
118.05015	0.5
119.08586	0.5
120.08050	0.5
122.06019	4.1
124.07588	10.3
125.07915	0.3
126.05524	1.3
135.11694	0.3
136.07570	100.0
137.07924	2.2
138.09097	1.0
140.07066	2.0
145.02817	0.3
146.04485	1.9
150.05540	0.6
152.07060	21.1
153.07381	0.5
157.04955	0.5
163.03900	0.4
163.07109	1.6
164.07059	85.7
165.07407	2.1
166.08600	1.3
167.06905	0.3
168.89497	0.3
169.04994	1.3
170.08105	0.7
177.00856	0.3
182.08121	2.5
205.08670	0.3
238.10686	0.4
250.10785	0.7
266.10220	15.8
267.10571	0.6
278.10214	19.2
279.10486	0.6
279.16928	0.4
284.11349	0.4
287.13889	10.5
288.14023	0.4
296.11322	2.8
298.12607	0.5
305.14880	1.8
310.58154	0.3
370.65741	0.3
373.17523	1.2
391.18909	0.4
401.17053	16.0
402.17224	1.1
419.17938	1.2
437.19077	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.1
56.04783	2.6
56.05033	33.3
56.96552	4.9
59.06112	2.3
60.04521	7.1
60.66863	1.7
61.01146	18.2
65.03928	3.9
67.05491	6.3
68.52807	1.8
69.03417	5.3
69.07052	7.8
70.02962	2.2
70.06596	9.2
70.72803	3.5
70.73168	3.9
72.08150	3.5
74.06068	2.1
79.05495	2.1
81.03425	4.1
82.06531	2.1
83.04983	13.3
83.06078	4.4
84.04506	40.0
84.08128	7.8
85.02905	5.0
85.07664	3.0
86.09702	82.4
87.05579	12.4
89.03914	5.3
91.05466	4.5
93.03397	3.6
95.04961	4.5
97.02865	3.9
98.06049	2.9
102.05542	5.3
103.05424	3.5
104.05326	100.0
106.05010	2.1
107.04970	2.7
110.07153	3.6
111.04457	11.8
115.05442	3.4
117.03368	5.3
118.06492	2.7
119.04928	3.8
120.08093	5.0
122.06027	2.3
123.04407	3.2
124.07608	2.0
126.05508	4.9
128.04900	2.2
129.05470	5.0
130.06535	2.6
131.04919	2.5
133.06519	2.9
134.06009	2.6
135.04390	16.5
139.03871	4.0
143.04938	3.6
143.07135	3.4
143.08151	34.3
144.07988	1.8
145.02811	6.5
145.06531	2.1
146.04491	3.7
146.05998	4.0
147.04369	10.2
148.07559	6.2
157.05040	2.0
157.06435	2.8
158.06075	3.8
159.04385	3.5
160.07558	2.9
161.01239	2.7
161.05962	7.2
162.03162	2.5
162.05478	19.8
162.09152	2.1
163.03902	42.2
163.06134	2.0
164.03357	3.0
164.07047	7.4
165.07903	1.8
172.03780	1.7
172.07507	3.8
173.12857	8.2
174.05455	5.8
174.09094	2.7
175.03902	5.7
175.06174	3.2
175.07518	2.5
176.07076	14.1
177.07800	2.1
177.18768	1.8
178.04980	3.1
178.08603	17.0
183.11310	5.8
186.05522	7.2
187.03995	6.8
188.04530	2.2
188.07059	2.1
188.09505	2.6
190.08662	3.0
191.08469	19.0
192.06525	4.7
199.08717	5.2
200.07080	9.7
201.10602	2.9
201.12277	11.8
202.04982	19.1
202.08662	3.8
203.08131	5.4
204.06622	12.1
205.07364	5.4
217.09752	24.3
218.08087	5.8
219.07907	21.9
220.06078	7.1
221.02916	10.2
222.07483	3.0
227.08113	6.0
228.06586	9.7
237.09041	40.1
241.10771	1.9
245.09227	25.6
246.07637	4.6
257.03174	2.3
263.06622	3.5
263.10239	22.6
271.04456	3.3
287.03882	2.1
306.11078	7.1
314.15143	8.7
324.12140	5.6
364.35654	2.2
377.07315	10.8
378.07422	2.2
379.49619	2.1
383.26526	1.8
391.15024	6.8
394.11115	3.3
395.07700	2.8
396.12976	2.6
419.14691	3.5
419.19672	3.0
420.12897	2.7
437.15634	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	436.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90141	1.8
55.01875	3.7
55.05495	6.4
55.79908	1.6
56.96553	3.4
65.03908	2.1
67.05486	5.8
69.03421	4.9
69.07056	4.1
69.86085	9.0
70.06571	2.6
73.02895	2.1
79.05467	8.1
81.03385	6.7
81.07069	9.7
83.04968	2.4
83.08589	2.2
85.02888	6.5
91.05454	8.1
93.07038	9.6
95.01317	2.8
95.04938	4.0
95.08575	5.9
97.02882	3.2
98.21473	3.5
98.97585	2.6
105.07017	6.2
107.04928	8.1
107.08576	2.8
109.02865	3.9
109.06443	2.2
109.10120	4.4
116.98608	3.1
117.06989	3.9
119.04964	1.8
119.08562	3.7
120.08094	2.7
121.02853	4.4
121.06522	2.7
121.10130	2.0
123.04443	3.2
127.03901	5.2
128.04247	1.8
129.06998	2.4
131.04884	1.8
131.08511	4.7
131.66763	1.9
133.06465	3.1
133.10135	3.3
133.73051	1.5
135.04454	2.2
135.11659	9.3
137.05952	2.8
145.06459	4.0
147.04388	3.5
149.05968	2.1
152.14351	3.5
153.12659	3.6
157.06416	2.1
159.11696	3.5
161.05972	4.7
163.03860	1.9
167.07063	4.3
169.10085	2.4
170.15366	3.4
173.01128	2.9
173.06105	1.8
175.07559	2.4
177.00670	2.0
177.05344	2.1
182.05321	1.9
183.53561	1.6
187.03844	1.9
189.05498	4.1
219.01646	2.1
221.04381	7.0
233.11629	4.1
237.02774	3.4
241.12268	2.3
251.10617	2.0
259.13269	3.8
269.11700	5.4
279.10120	2.2
287.12775	7.4
297.11099	3.3
305.13745	2.5
315.12213	14.5
333.13300	100.0
334.13663	3.6
351.14401	28.6
352.14746	2.1
413.14975	3.0
436.20987	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01847	0.7
55.05495	2.2
59.04982	1.7
67.05490	1.3
69.03407	1.6
69.07050	2.2
71.04982	17.6
71.51568	1.2
73.06537	4.1
79.05490	3.3
81.03391	1.7
81.07049	23.4
85.02926	3.9
87.00801	2.5
91.05471	1.2
93.07034	14.7
95.08585	3.1
97.02881	1.9
97.06517	1.8
97.57075	0.6
105.01876	2.7
105.07037	0.9
107.08593	12.4
109.02853	1.4
109.10139	1.8
111.08130	0.7
112.59607	0.5
119.08572	0.7
120.30238	0.7
127.03896	2.3
127.84318	0.6
135.11667	22.7
145.04898	0.9
153.12727	100.0
154.13097	1.6
162.05470	1.0
167.07039	0.6
176.10301	0.5
191.06264	0.6
205.22334	0.5
210.32457	0.7
230.11713	1.1
249.05931	0.9
258.11221	8.6
277.72192	0.5
281.63428	0.6
286.10690	1.6
339.76544	0.6
353.22144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.5
55.01849	7.1
55.02775	2.7
55.05509	6.0
57.03425	5.8
63.73931	3.0
67.05490	7.1
69.03420	20.6
69.07050	7.5
70.06590	8.1
70.85248	6.7
71.04990	14.3
73.02905	4.5
73.33351	2.8
79.05491	10.6
81.03411	15.1
81.07051	24.3
85.02901	37.8
86.09675	3.2
87.00827	22.3
89.39251	2.8
91.03874	2.8
91.05476	7.6
93.03637	2.9
93.07040	26.3
95.04937	3.7
95.08600	23.4
97.02880	24.5
97.06522	6.9
98.97572	3.2
99.04448	10.2
103.05439	3.7
105.01858	19.0
105.06982	7.8
107.08581	28.9
108.57605	3.3
109.02868	8.8
109.06496	4.2
109.10130	5.4
119.08528	9.0
123.04469	4.0
127.03925	23.1
131.08546	3.7
133.10133	5.2
135.11687	40.5
137.13278	4.0
140.94221	2.9
145.04927	7.7
153.12730	100.0
159.02852	4.9
160.99225	3.3
162.05446	5.8
167.07021	8.8
171.13725	4.4
173.09595	3.6
177.12718	7.2
181.04964	8.6
182.05257	3.7
191.08185	3.6
195.13750	4.6
202.08406	3.0
202.12413	3.6
230.11665	4.4
231.04941	4.7
231.56628	3.0
231.59259	3.3
234.08456	6.1
243.13658	3.2
258.11221	39.8
286.10757	9.0
378.79913	3.1
400.13913	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	436.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66525	1.4
53.03933	4.1
55.01863	3.2
55.05489	3.2
56.96554	4.0
57.03413	1.3
61.02921	2.2
65.03929	2.4
67.05490	4.5
67.56808	1.4
68.74767	1.2
68.99780	1.4
69.03427	11.5
69.07066	4.4
70.06580	6.0
70.85826	4.5
71.04974	2.6
72.08148	3.0
73.02896	3.8
79.05492	22.9
81.03421	10.2
81.07083	7.7
83.04947	1.7
84.04476	2.3
84.08131	2.2
85.02414	2.8
85.02901	29.6
86.09678	4.5
87.00830	13.4
91.03921	2.1
91.05489	9.8
92.05766	1.7
93.07041	44.1
95.04964	4.8
95.08594	4.6
97.02295	1.7
97.02883	21.3
97.06502	1.6
99.04433	6.7
105.01866	20.2
105.07013	4.5
107.04917	1.8
107.08589	37.6
109.02869	10.8
110.07112	1.5
111.04459	2.5
116.98612	2.5
117.01775	1.3
117.07047	1.6
119.04912	3.8
119.08588	2.6
119.86877	1.4
120.08109	1.6
124.11267	1.3
125.09653	1.7
127.03915	25.6
133.02863	2.0
133.10118	1.9
135.11688	100.0
136.07542	2.3
136.11990	1.5
137.13252	2.3
142.12285	3.0
145.04944	16.0
145.06465	2.8
147.04384	3.8
153.12778	2.2
153.89383	1.4
159.02887	6.8
161.01196	2.3
161.05876	1.5
164.07051	3.7
167.07051	5.7
173.63579	1.6
175.03909	5.1
177.05557	1.5
180.07881	1.4
181.04930	4.9
182.05258	2.6
192.05190	1.3
207.06354	6.5
208.07246	2.9
210.08902	2.0
216.52888	1.6
219.19046	1.5
221.98256	2.4
223.02785	2.5
227.11801	1.7
231.05006	6.5
233.08064	2.3
234.08429	2.3
244.09761	1.8
249.06128	2.2
252.11441	1.7
257.13019	1.7
258.11172	4.9
261.14767	2.4
284.02036	2.1
286.10483	3.8
297.12415	2.0
299.04352	3.7
315.13437	2.6
317.05420	6.8
326.79834	1.7
418.15308	1.8
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
53.03933	8.0
55.01858	8.2
55.05537	6.5
58.50219	5.8
61.84730	5.6
67.05510	6.3
69.03429	27.3
69.07058	7.4
79.05489	12.5
81.03424	21.2
81.07055	22.0
85.02914	49.3
87.00828	23.8
91.05489	21.9
93.07053	70.5
95.04980	15.1
95.08630	12.3
97.02904	34.5
97.06552	9.2
99.04470	6.9
105.01846	28.7
105.07044	9.4
107.08598	100.0
109.02874	19.1
119.08641	6.9
127.03915	28.4
135.11720	90.3
136.45123	6.1
143.95624	5.8
145.04958	17.4
147.04347	6.0
153.12773	57.2
158.13272	5.9
159.02914	11.3
171.13843	20.0
261.14880	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	436.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	13.1
55.01865	8.4
55.05497	13.9
61.02935	6.4
65.97556	5.1
67.05487	14.6
69.03439	29.2
69.55745	29.7
69.56162	14.9
70.06578	14.3
70.84093	6.8
71.04984	9.1
72.08147	8.2
72.34150	5.2
73.02919	7.3
74.02409	7.2
79.05482	20.5
79.46102	6.3
81.03422	30.9
81.07039	29.0
83.04990	7.6
83.08631	16.4
84.04511	6.2
84.08136	15.5
85.02901	68.3
86.09697	14.1
87.00822	39.2
91.05487	36.6
93.07043	93.3
94.21825	5.1
95.04995	9.6
95.08596	27.9
97.02915	38.2
97.06552	12.1
97.97584	6.6
105.01861	53.9
105.07035	16.8
107.07874	7.8
107.08591	100.0
109.02901	17.1
109.10275	7.8
114.19350	5.2
120.08092	5.8
123.04424	12.4
123.35585	6.0
127.03927	45.6
135.11685	54.0
136.07599	46.6
143.21799	6.3
145.04973	25.8
146.04480	17.2
147.04422	19.1
152.07121	8.6
159.02925	13.2
163.07217	12.2
164.07085	31.6
181.05083	10.4
193.73322	6.1
231.05058	16.7
278.10196	7.9
279.92014	5.7
347.37808	5.6
401.17133	10.5
436.23425	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	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.1
55.01866	6.2
55.05507	6.4
57.03434	5.3
61.02923	3.9
64.78496	1.0
66.31709	1.1
67.05495	4.7
68.99798	1.6
69.03433	18.3
69.07059	3.4
70.37941	2.8
70.38335	2.2
71.04998	2.6
73.02908	5.0
79.05501	12.6
81.03417	17.9
81.07066	9.0
83.05004	2.9
85.02907	53.4
87.00834	23.4
91.03960	2.1
91.05478	20.9
93.07047	86.0
95.04968	7.0
95.08610	10.9
97.02900	26.0
97.06526	7.1
99.04453	8.6
105.01870	28.3
105.04530	1.3
105.07020	5.5
107.08600	100.0
109.02882	21.4
109.06529	3.9
109.10151	6.7
111.23205	1.2
117.01851	2.0
119.06071	1.9
121.10062	1.2
123.11737	1.3
127.03922	49.5
129.01833	2.5
133.10158	1.4
135.11696	66.5
137.13271	2.6
145.04958	25.6
147.02882	2.6
148.98291	1.3
153.12741	6.2
159.02890	17.0
165.12669	1.3
213.03979	1.3
231.04996	9.7
243.13768	1.4
249.06093	2.1
261.14966	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3467
Annotation	5beta-cholestan-7alpha,12alpha,24-triol-3-one
Peak:m/z	Relative Intensity
53.03955	1.0
53.63567	0.8
54.67820	0.9
55.01862	1.3
55.05265	1.3
55.05509	18.8
57.03416	0.9
57.06824	0.9
57.07075	10.3
61.50419	0.7
67.05495	8.1
68.68545	0.8
69.03072	1.6
69.03426	22.9
69.07066	31.1
71.08632	6.0
71.55761	1.8
79.05489	6.5
79.93906	0.8
81.07050	18.5
82.03291	0.9
83.01343	13.8
83.04971	1.6
83.08617	17.6
85.02888	1.7
85.06541	1.1
85.10166	2.4
88.24398	0.8
88.45898	0.9
91.05433	1.0
93.07030	3.8
95.04947	1.5
95.08600	20.7
97.06525	14.4
97.10169	13.0
101.02363	2.2
105.07020	3.0
107.04956	1.6
107.08588	5.5
109.06500	3.7
109.10147	11.0
111.11713	6.6
112.99934	0.9
119.08579	4.6
121.06502	2.1
121.10152	5.7
123.04377	1.6
123.08068	2.1
123.11713	6.6
123.56263	0.8
125.05989	50.6
125.13280	2.0
127.03914	6.1
130.14824	0.9
131.08551	1.8
133.10114	2.4
135.08043	2.5
135.11679	2.9
137.05971	11.0
137.09627	1.5
137.13252	1.8
141.05463	5.9
147.08020	1.5
147.11613	1.4
149.09595	2.5
149.13182	1.0
151.07520	2.4
151.14809	1.2
151.28937	0.9
152.82886	0.9
153.05460	100.0
154.05865	2.8
157.10144	1.8
159.07968	1.0
159.11707	1.4
161.09618	2.4
161.13271	1.1
163.07518	4.0
163.11214	1.5
165.05463	1.5
165.09087	2.1
165.16342	1.1
167.07040	5.1
169.02536	1.1
173.09596	1.2
175.07588	2.0
175.11177	3.1
177.09103	10.6
177.12717	1.6
179.10741	2.2
189.09059	2.8
189.12701	1.8
191.10651	9.8
193.08635	2.2
193.12234	1.9
195.10164	1.8
203.10614	2.5
205.12263	2.9
207.10199	1.3
209.11722	8.5
217.12227	1.3
219.13762	2.4
221.11655	1.7
235.13315	1.8
247.16847	1.3
259.16861	1.0
261.18350	1.6
263.27151	0.9
273.18530	1.2
279.19504	1.2
287.19934	1.3
290.96124	0.9
305.08997	1.0
305.21094	1.5
329.24728	1.0
335.25754	1.5
347.25592	1.4
360.88721	1.0
361.27304	1.5
371.40176	1.0
399.32675	5.6
417.33612	99.2
418.33902	4.0
435.34671	23.5
436.35016	1.5
443.20630	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1642
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03937	2.5
53.83041	0.9
55.01876	1.6
55.05508	5.5
56.96566	1.3
61.02919	1.0
65.03937	8.2
65.49639	0.9
67.01691	0.8
67.05505	5.8
69.03420	5.4
69.07056	2.1
70.06583	3.1
71.04987	2.0
71.59921	1.2
72.08173	1.0
73.50056	0.9
74.45205	1.0
77.03894	1.4
78.04689	2.1
79.05496	10.2
81.03423	6.0
81.07057	6.0
82.04184	3.1
82.06566	1.2
83.04979	2.6
83.08581	1.9
84.04499	1.0
84.08131	1.6
85.02908	7.7
85.06526	1.5
86.09650	1.7
91.05466	6.2
91.12783	1.0
91.20700	0.8
93.03403	2.4
93.07046	2.4
94.06602	1.2
95.04968	7.2
95.08580	2.1
97.02880	1.9
97.06537	4.4
98.97624	1.4
99.04460	1.2
100.11237	5.7
103.05450	3.1
105.07028	5.4
106.04156	2.7
106.06530	0.9
107.04951	15.7
107.08578	1.2
108.02090	1.3
109.02893	1.2
109.06496	2.7
109.10143	2.1
110.03656	3.7
111.04440	4.2
115.05452	4.0
116.06240	1.4
116.98598	1.2
117.07038	6.9
119.04955	1.1
119.08561	2.7
120.04492	1.6
120.08068	1.4
121.02872	1.3
121.06483	5.2
122.06014	1.9
123.04426	5.2
124.05199	3.7
125.05970	3.8
127.03905	6.4
128.06213	2.1
128.07083	1.6
129.06989	2.8
131.04910	4.1
131.08580	2.5
133.06502	4.4
133.10135	1.1
134.99683	1.2
135.04326	1.6
137.05956	3.8
138.03146	1.7
138.09183	1.5
139.03931	1.1
141.06985	2.7
141.11443	1.2
141.78978	1.0
142.02612	2.8
143.04939	1.2
143.08659	1.1
144.05728	4.6
145.06479	9.0
147.04420	1.9
147.08046	1.8
149.05963	4.7
152.04672	1.5
153.12718	1.1
154.06410	1.1
155.05943	1.5
155.07043	2.3
156.05632	1.3
157.06479	2.8
159.08064	4.1
161.05954	6.7
161.09560	1.0
163.07410	2.2
165.05460	1.2
166.02643	1.1
167.07030	50.0
171.06560	6.8
172.05182	9.6
173.05896	6.0
173.07222	1.7
175.03934	1.2
175.07539	2.8
177.05481	3.5
177.12506	0.9
179.07068	1.5
180.10889	0.9
181.04950	100.0
181.08423	2.2
182.05327	1.2
182.15405	4.5
184.03600	1.0
187.07487	9.3
189.05498	2.9
190.06239	2.2
191.07005	3.7
191.10585	2.3
193.04961	1.5
195.06535	2.5
198.09085	1.8
199.04942	1.2
200.04709	4.6
200.09468	1.1
201.05382	5.4
201.13853	4.8
205.08578	5.1
206.05708	2.3
207.06517	2.2
207.10149	1.3
209.08060	5.0
209.16580	1.8
210.14899	6.7
212.10649	4.5
214.10703	1.3
215.08289	1.9
215.11823	2.3
217.08574	1.9
218.05679	6.4
219.06508	2.2
219.10173	4.1
221.08087	6.3
227.17780	1.1
228.09000	2.9
229.09726	2.1
229.13358	24.3
233.08076	61.1
234.08524	1.8
235.09648	2.0
240.10141	1.5
240.67506	0.9
242.10437	1.2
243.11237	7.6
245.08130	2.9
251.09161	3.1
255.11346	1.4
257.12836	76.2
258.13205	1.2
263.06714	1.4
263.09158	14.8
265.04953	0.9
265.08344	1.3
273.07718	1.1
279.06668	1.2
279.10095	1.2
281.37354	1.0
285.12341	31.4
295.10074	1.0
303.13333	3.4
307.09790	1.6
311.09515	1.0
337.06915	1.2
339.12360	2.3
355.11642	2.8
367.11710	3.3
371.15021	1.4
380.62436	1.4
381.13330	2.7
387.14359	7.8
397.14871	1.0
399.14490	8.1
417.15524	34.3
417.28964	1.1
418.15714	1.2
435.17514	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	435.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
53.83041	0.9
55.01876	1.6
55.05508	5.5
56.96566	1.3
61.02919	1.0
65.03937	8.2
65.49639	0.9
67.01691	0.8
67.05505	5.8
69.03420	5.4
69.07056	2.1
70.06583	3.1
71.04987	2.0
71.59921	1.2
72.08173	1.0
73.50056	0.9
74.45205	1.0
77.03894	1.4
78.04689	2.1
79.05496	10.2
81.03423	6.0
81.07057	6.0
82.04184	3.1
82.06566	1.2
83.04979	2.6
83.08581	1.9
84.04499	1.0
84.08131	1.6
85.02908	7.7
85.06526	1.5
86.09650	1.7
91.05466	6.2
91.12783	1.0
91.20700	0.8
93.03403	2.4
93.07046	2.4
94.06602	1.2
95.04968	7.2
95.08580	2.1
97.02880	1.9
97.06537	4.4
98.97624	1.4
99.04460	1.2
100.11237	5.7
103.05450	3.1
105.07028	5.4
106.04156	2.7
106.06530	0.9
107.04951	15.7
107.08578	1.2
108.02090	1.3
109.02893	1.2
109.06496	2.7
109.10143	2.1
110.03656	3.7
111.04440	4.2
115.05452	4.0
116.06240	1.4
116.98598	1.2
117.07038	6.9
119.04955	1.1
119.08561	2.7
120.04492	1.6
120.08068	1.4
121.02872	1.3
121.06483	5.2
122.06014	1.9
123.04426	5.2
124.05199	3.7
125.05970	3.8
127.03905	6.4
128.06213	2.1
128.07083	1.6
129.06989	2.8
131.04910	4.1
131.08580	2.5
133.06502	4.4
133.10135	1.1
134.99683	1.2
135.04326	1.6
137.05956	3.8
138.03146	1.7
138.09183	1.5
139.03931	1.1
141.06985	2.7
141.11443	1.2
141.78978	1.0
142.02612	2.8
143.04939	1.2
143.08659	1.1
144.05728	4.6
145.06479	9.0
147.04420	1.9
147.08046	1.8
149.05963	4.7
152.04672	1.5
153.12718	1.1
154.06410	1.1
155.05943	1.5
155.07043	2.3
156.05632	1.3
157.06479	2.8
159.08064	4.1
161.05954	6.7
161.09560	1.0
163.07410	2.2
165.05460	1.2
166.02643	1.1
167.07030	50.0
171.06560	6.8
172.05182	9.6
173.05896	6.0
173.07222	1.7
175.03934	1.2
175.07539	2.8
177.05481	3.5
177.12506	0.9
179.07068	1.5
180.10889	0.9
181.04950	100.0
181.08423	2.2
182.05327	1.2
182.15405	4.5
184.03600	1.0
187.07487	9.3
189.05498	2.9
190.06239	2.2
191.07005	3.7
191.10585	2.3
193.04961	1.5
195.06535	2.5
198.09085	1.8
199.04942	1.2
200.04709	4.6
200.09468	1.1
201.05382	5.4
201.13853	4.8
205.08578	5.1
206.05708	2.3
207.06517	2.2
207.10149	1.3
209.08060	5.0
209.16580	1.8
210.14899	6.7
212.10649	4.5
214.10703	1.3
215.08289	1.9
215.11823	2.3
217.08574	1.9
218.05679	6.4
219.06508	2.2
219.10173	4.1
221.08087	6.3
227.17780	1.1
228.09000	2.9
229.09726	2.1
229.13358	24.3
233.08076	61.1
234.08524	1.8
235.09648	2.0
240.10141	1.5
240.67506	0.9
242.10437	1.2
243.11237	7.6
245.08130	2.9
251.09161	3.1
255.11346	1.4
257.12836	76.2
258.13205	1.2
263.06714	1.4
263.09158	14.8
265.04953	0.9
265.08344	1.3
273.07718	1.1
279.06668	1.2
279.10095	1.2
281.37354	1.0
285.12341	31.4
295.10074	1.0
303.13333	3.4
307.09790	1.6
311.09515	1.0
337.06915	1.2
339.12360	2.3
355.11642	2.8
367.11710	3.3
371.15021	1.4
380.62436	1.4
381.13330	2.7
387.14359	7.8
397.14871	1.0
399.14490	8.1
417.15524	34.3
417.28964	1.1
418.15714	1.2
435.17514	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	435.1288
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
53.03942	1.8
54.46434	1.5
55.01872	4.3
56.52791	1.4
57.03432	6.3
59.08516	1.5
59.26080	1.5
65.03934	4.6
67.05499	8.2
67.74261	1.4
68.99812	4.0
69.03419	5.0
69.07097	1.7
69.86289	9.7
70.06592	6.6
71.04990	2.1
72.08141	2.8
74.98914	1.4
74.99406	1.4
79.05490	6.1
81.03409	8.7
81.07085	3.2
82.61637	1.6
83.01350	1.7
85.02901	25.7
86.09705	7.6
91.05486	12.1
94.06560	4.0
95.04967	10.2
97.02897	5.9
99.04465	1.9
103.03988	2.3
105.07043	3.0
107.04975	9.5
109.02208	1.7
109.02883	7.1
109.06474	1.8
110.07130	2.2
117.06985	2.9
119.04960	3.7
120.08060	2.5
121.02869	15.0
121.06530	2.4
122.06025	14.1
123.04444	7.8
124.07546	1.8
125.02385	3.1
127.03927	4.0
128.98602	1.6
131.04926	2.0
131.08571	2.0
135.04427	2.7
136.07588	26.8
137.05952	2.0
141.01855	3.0
142.02556	1.9
144.05688	1.9
145.06509	3.9
147.04398	17.8
149.02370	2.2
149.05937	1.7
151.03883	2.8
153.01848	4.6
154.08420	1.7
159.04445	1.9
161.05885	2.1
163.03935	7.7
164.07080	29.5
165.01833	34.0
165.05527	1.7
167.07040	24.9
171.02916	3.0
171.06479	2.1
172.05197	2.9
173.05980	2.8
175.03912	2.1
177.01883	17.7
177.05441	4.7
181.04967	39.2
181.06519	3.4
183.02896	24.2
186.30853	1.8
187.03932	2.4
187.07588	3.9
189.01837	6.2
191.03436	25.4
195.02887	100.0
201.05623	1.7
203.03520	2.7
205.05038	3.9
205.08510	2.7
207.02904	2.6
215.03366	2.7
218.05716	2.3
219.02919	40.1
221.08101	2.3
231.02882	26.2
233.04501	4.3
233.08075	25.3
235.09566	1.9
243.02893	5.1
249.03984	16.3
257.12878	2.8
260.09198	6.7
261.03952	25.1
261.09482	15.2
263.09067	3.1
266.10486	1.5
267.01959	1.9
273.07587	5.0
278.10257	19.5
279.05017	6.1
285.07535	36.7
285.12320	3.3
296.11255	5.6
297.07761	14.8
309.07727	2.6
315.08557	18.4
327.07599	2.0
339.08679	32.0
339.12695	2.6
351.08594	23.3
351.80484	1.9
363.08862	8.6
369.09641	2.9
381.09705	9.6
387.14417	4.3
399.10577	12.2
399.14999	1.7
405.14459	2.8
417.15842	12.4
435.14874	9.6
435.21454	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	435.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.9
55.01857	3.9
56.96558	4.7
57.03419	9.7
57.67747	2.3
65.03925	5.9
67.05486	4.8
68.99770	3.2
69.03423	12.4
69.07062	3.3
69.53302	18.4
70.06566	9.5
71.04967	2.1
72.08131	3.0
79.05474	7.0
81.03405	7.8
81.07031	3.1
84.08145	4.9
84.96027	2.6
85.02428	2.5
85.02899	31.2
85.06496	2.0
86.09695	7.2
91.05476	51.4
92.05782	2.4
93.07021	3.1
95.04942	9.8
95.08553	2.9
97.02868	8.5
97.06475	3.0
98.97572	6.8
99.04445	2.5
99.20179	2.2
103.05477	2.8
105.07014	8.5
107.04935	6.6
109.02872	8.3
109.06490	3.2
110.07088	2.8
115.03902	6.9
116.03301	2.9
116.98577	3.5
119.04940	7.0
120.08053	2.5
121.02843	18.5
121.10075	3.2
122.06020	3.5
123.04417	5.5
125.02386	2.4
127.03893	8.0
133.04974	7.1
133.10097	3.1
135.04491	3.5
136.07590	14.0
137.06018	2.4
146.99635	3.1
147.04401	18.1
151.03966	2.4
151.11165	2.8
153.01807	5.3
163.03912	6.9
164.07066	15.9
165.01837	31.2
167.07063	12.5
171.02919	3.0
172.05237	2.4
175.03874	5.7
177.01878	12.6
181.04951	21.9
183.02884	24.2
187.07512	2.5
189.01794	6.4
191.03412	20.7
195.02887	100.0
203.03394	3.9
205.04936	5.3
207.03041	2.1
207.06502	5.5
207.60280	2.1
209.04449	2.5
215.03409	4.2
218.05754	2.6
219.00943	3.7
219.02888	38.9
221.08289	2.1
229.13441	3.2
230.53032	2.1
231.02863	27.2
233.04498	3.6
233.08060	16.1
237.02696	3.6
243.02791	6.3
249.03964	15.8
257.12805	11.5
261.03925	25.8
273.07568	2.9
278.10257	10.3
279.04852	7.6
285.07526	34.4
285.12408	4.7
296.11298	3.5
297.07706	16.0
301.13330	2.6
315.08618	17.1
327.07480	9.0
339.08640	27.6
351.08704	21.7
359.87497	2.4
363.08423	8.9
369.09180	4.3
381.09436	10.1
399.10474	11.2
399.15164	3.2
417.15836	7.9
427.16434	7.1
435.16623	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01874	0.7
55.05504	2.2
57.03432	9.2
61.92468	0.6
63.35248	0.5
65.03933	0.8
67.05496	0.8
69.03435	3.4
70.06586	3.5
71.01321	0.8
71.04989	74.2
71.59076	0.6
72.05318	1.0
72.08135	1.4
73.02916	1.9
75.04474	4.6
79.05505	1.1
81.03415	1.7
81.07012	0.7
83.04978	9.4
84.04494	1.5
84.08112	0.8
85.02899	100.0
86.03246	1.4
86.09693	1.8
87.04459	2.2
91.05473	25.1
97.02880	7.5
99.04476	1.5
101.06059	0.9
103.03944	1.3
105.07030	2.9
107.04910	1.0
109.02866	0.9
110.07130	0.8
111.04416	5.1
117.07124	0.6
120.08110	2.2
127.03902	5.3
129.05470	45.7
129.10249	0.8
133.06482	2.5
133.10068	0.7
143.27101	0.6
145.04974	3.6
145.06506	1.1
146.08144	1.6
147.04648	1.0
147.06509	28.1
157.06447	0.7
163.06038	0.8
164.09166	6.3
165.07620	1.1
167.07155	0.8
175.07610	1.8
181.04938	1.2
193.57683	0.7
199.36671	0.6
200.06897	0.8
219.10555	0.8
225.07553	0.7
235.09877	0.7
253.10599	0.8
255.08681	1.8
260.09167	6.3
273.09723	0.8
307.12823	1.5
309.11804	1.5
313.20880	0.7
390.21469	0.9
417.16000	0.8
419.24771	0.6
434.14566	2.1
435.23581	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.2
55.01848	3.7
55.05490	1.7
55.77086	1.2
57.03431	24.0
59.04978	4.0
60.04503	3.1
61.02910	5.3
65.03926	2.5
67.05487	1.9
69.03424	85.1
69.07038	1.2
70.06568	4.9
70.91339	2.3
71.04979	1.5
72.08138	2.1
73.02905	5.9
74.06010	1.1
75.04474	3.9
79.05477	3.2
81.03418	7.9
81.07062	2.1
84.04488	1.8
84.08136	2.9
85.02898	100.0
86.09686	4.7
87.00833	1.5
87.04464	55.9
91.03947	2.1
91.05463	7.0
93.07042	1.4
95.04971	1.9
97.02884	71.6
99.04443	3.6
100.29768	1.2
103.03949	2.3
105.07022	14.6
107.04934	4.1
109.02875	6.8
109.06520	1.2
111.04390	2.5
115.03919	94.1
116.04200	1.3
116.06283	1.2
117.07003	2.1
119.08598	2.1
120.08096	2.1
121.02836	1.1
122.06071	1.5
123.04404	2.0
127.03912	20.8
129.10242	1.4
133.04955	92.5
136.07552	3.4
137.06000	1.4
142.08563	3.2
144.05676	1.8
145.04945	31.1
145.06203	1.7
147.04443	1.7
147.08031	3.2
150.07608	13.4
163.03876	1.3
163.06027	13.5
164.07033	3.4
165.01865	1.9
167.07021	11.4
169.05005	2.0
169.12250	1.2
172.05154	1.8
173.05739	1.5
181.04927	18.0
183.02895	1.5
183.06406	1.4
187.05959	1.4
187.07579	2.4
189.09062	1.6
195.02856	5.5
200.04709	2.1
200.07080	3.6
201.09071	2.5
214.08633	2.0
216.10258	1.5
219.02760	1.7
219.10091	2.3
223.05971	1.9
229.07036	1.9
231.03020	2.2
233.08066	10.3
241.06999	3.2
244.06114	2.6
259.08139	2.2
260.09183	48.1
261.03912	1.6
261.09412	2.4
263.08981	1.6
277.09201	2.2
278.10199	2.5
285.07391	1.8
285.13138	3.1
295.10196	3.7
295.66190	1.1
297.07675	1.4
331.50604	1.2
339.08609	1.8
351.08578	1.5
387.14136	1.8
388.13986	1.4
398.18680	1.3
417.15881	5.5
434.14429	21.6
435.15860	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.01870	0.9
55.65889	0.5
56.05029	0.8
57.03435	5.0
59.04987	1.2
60.04541	1.1
61.02927	1.0
61.60318	0.5
69.03073	1.1
69.03429	17.5
69.07045	0.6
70.06571	4.7
70.06888	1.9
71.05003	1.0
72.08145	2.0
73.02904	4.0
74.06076	0.7
75.04469	1.8
76.20392	0.5
79.05493	4.9
80.05823	0.5
81.03408	2.3
81.07069	0.9
83.05000	0.9
84.04499	1.5
84.08141	2.6
85.02905	19.2
85.03423	0.9
86.09707	4.4
87.04469	11.0
88.03944	0.7
89.05149	0.5
91.03973	0.7
91.05476	4.9
93.07032	1.0
93.37121	0.6
95.04967	2.1
97.02892	13.6
99.04448	1.2
103.03957	0.9
103.05457	2.7
105.07027	100.0
106.07363	1.5
107.08586	1.0
109.02903	1.2
109.10213	0.6
110.07196	1.0
113.98133	0.6
115.03926	19.5
117.06976	2.9
119.08591	5.0
120.08089	1.2
121.06541	0.5
123.04466	0.9
127.03930	4.5
129.06987	3.5
129.10216	0.9
131.08533	1.6
133.04965	21.4
133.10135	0.6
134.99614	0.6
136.07625	0.6
137.05998	1.0
141.07057	0.6
143.08560	1.6
143.11784	0.9
145.04967	6.1
145.06433	2.7
145.10089	0.9
146.04501	1.6
146.05930	0.5
147.04408	0.8
147.08040	6.0
149.09555	0.5
150.07614	3.6
155.08585	2.0
159.08066	1.9
163.06033	1.8
167.07060	1.0
168.07437	0.5
171.08047	0.5
173.09630	1.5
181.04887	3.0
182.05324	1.1
183.07996	1.0
189.09137	2.5
192.13896	1.2
201.09077	1.2
213.09167	0.6
219.10201	1.2
221.08141	0.6
222.08342	0.7
223.09753	0.6
227.11736	0.5
233.08136	0.9
241.07149	1.4
249.11183	0.9
259.08102	2.0
277.09119	0.7
295.10211	1.5
337.17648	0.6
348.12158	1.0
372.12677	1.0
390.13507	1.6
390.18097	0.8
404.14276	1.8
434.12094	0.9
434.17252	1.9
435.21933	0.7
441.97131	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.3
55.01870	13.3
55.05497	3.8
56.96567	2.2
57.03423	8.6
61.02912	6.0
65.03929	2.6
67.05490	7.4
68.53114	1.6
68.99771	5.8
69.03072	3.2
69.03426	41.0
69.07063	3.3
69.68153	10.7
70.06594	3.4
71.04992	8.6
73.02906	8.4
77.03925	2.0
79.05479	10.4
81.03416	41.9
81.07051	27.1
82.07352	1.8
83.01330	1.9
83.04977	4.5
83.08604	1.6
84.04512	2.4
85.02901	100.0
86.09185	1.5
86.09677	2.5
87.00820	37.1
87.04430	2.0
91.03961	2.2
91.05477	11.1
93.07039	28.3
95.04962	6.0
95.08617	5.8
97.02884	35.4
97.06524	3.7
99.04446	21.2
99.08083	2.3
105.01858	33.4
105.07037	17.4
107.04947	3.3
107.08584	9.1
109.02876	37.3
109.06504	2.8
109.10149	6.1
111.04441	1.9
111.08131	1.6
117.01850	4.4
117.07019	3.1
119.08638	3.2
120.08115	1.8
121.06523	2.0
121.10137	8.2
122.25773	1.7
123.08020	2.9
123.11707	7.7
127.03908	68.0
129.01836	4.8
129.07027	1.9
131.04865	1.5
131.08569	3.9
133.10117	23.6
135.02928	1.8
137.05913	1.7
143.08600	1.7
145.04956	27.3
147.02885	4.7
147.11754	1.6
151.11160	10.2
157.10002	2.3
159.02884	27.2
162.58784	1.6
165.05411	2.1
167.07002	7.1
169.12254	3.5
171.06557	1.8
171.22597	1.6
175.11191	1.8
181.04980	13.0
201.05476	1.9
207.06537	1.7
213.04004	3.2
231.04993	9.2
233.08054	5.3
237.00673	2.7
255.01855	1.7
256.11609	1.8
260.10007	1.8
285.02121	3.1
302.11053	2.4
330.01886	2.1
333.48859	1.7
399.15237	1.6
417.15872	2.9
434.28876	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.8
56.96567	0.9
57.03423	0.7
58.99585	0.7
60.04511	0.7
61.02899	0.4
62.25708	0.3
63.60134	0.4
67.05498	2.1
69.03423	2.0
70.06587	1.7
71.04990	0.6
71.22527	0.6
72.08147	0.9
76.02206	1.1
78.31966	0.3
79.05473	0.5
81.03394	1.0
81.07059	0.5
83.04984	0.7
84.04488	0.7
84.08126	0.8
85.02899	4.7
86.09699	1.2
86.99023	0.4
91.05463	0.5
93.07051	0.5
95.04949	0.8
95.08600	4.0
97.02898	1.7
98.97591	0.8
99.04408	0.5
100.02190	1.9
103.05451	0.3
104.06012	0.3
105.00086	0.9
105.07006	0.6
107.04926	0.7
110.07172	0.5
111.04459	0.4
116.98620	0.4
121.06519	0.6
122.02725	8.2
123.08076	6.7
127.03908	1.4
130.06500	0.4
131.04947	0.4
135.04343	0.5
145.04939	0.7
146.02696	1.3
147.04370	0.9
151.07533	100.0
152.07881	2.4
163.03920	1.8
164.03796	0.4
169.06378	0.4
173.09491	0.4
174.03464	0.3
181.04872	0.4
188.03815	0.6
203.07501	0.9
237.02808	0.8
242.08142	0.9
248.05849	0.8
255.01668	0.7
272.09570	5.8
273.02713	0.4
284.07959	6.7
288.78168	0.3
434.16931	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	433.2433
Annotation	Integrifoside C
Peak:m/z	Relative Intensity
52.14871	1.2
53.03939	6.2
55.01881	6.3
55.05510	23.5
57.03439	26.7
57.07077	2.9
59.04993	1.1
61.02927	66.8
67.05507	40.5
67.05868	2.1
69.03430	32.5
69.07068	20.4
69.29047	13.4
70.54071	1.2
71.01352	2.9
71.05005	14.5
73.02917	33.5
75.04480	1.6
79.05495	27.2
80.98748	1.1
81.03422	19.6
81.07061	80.9
83.04982	7.8
83.08627	17.2
85.02908	68.1
85.06544	9.2
87.04458	5.0
91.03962	39.9
91.05484	23.9
93.07043	23.4
95.04977	5.3
95.08608	86.5
97.02897	56.7
97.06525	16.9
97.10162	6.4
99.04456	9.1
99.08074	6.6
101.02396	12.2
101.06009	1.4
103.03949	6.4
105.07032	24.5
107.08598	10.3
109.02859	11.4
109.06529	3.8
109.10165	9.0
111.04434	2.9
111.08084	4.8
113.09661	2.2
115.03915	3.4
117.05476	1.5
117.06999	1.8
119.08586	30.7
121.10134	8.6
123.08106	6.4
127.03911	23.9
127.07579	1.4
129.05472	8.1
130.17917	1.3
131.08522	2.3
133.10121	18.2
135.08134	1.4
135.11684	9.2
137.09639	3.5
137.13232	7.7
145.04984	9.6
147.06538	3.9
149.13283	1.8
151.14851	1.3
159.06586	2.2
159.11749	1.8
161.13268	58.9
167.07072	2.7
171.06548	1.5
177.12808	1.4
179.14319	46.6
181.04993	1.5
183.06581	4.1
190.04851	1.3
197.15422	5.8
201.07597	4.5
202.31659	1.2
221.15376	1.7
237.14836	1.3
253.18015	14.8
255.11340	3.7
256.07306	2.2
271.19046	100.0
272.19406	2.3
281.17242	1.3
283.10715	3.1
295.18997	1.4
305.17648	2.2
379.21298	1.6
397.22308	1.5
415.23233	4.5
432.76160	6.0
433.24347	11.3
449.22122	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76479	2.5
53.03924	10.6
55.01865	4.0
55.05510	24.9
56.96566	2.6
57.03435	24.5
57.78378	2.5
61.02920	27.0
65.03939	6.2
67.05500	42.3
69.03085	2.8
69.03427	50.5
69.06741	2.8
69.07070	21.9
70.06576	7.0
70.84292	6.3
70.84656	4.7
71.01348	2.4
71.04993	18.3
72.08128	3.5
73.02916	15.8
79.05486	30.5
81.03054	2.9
81.03423	31.8
81.06576	4.1
81.07052	80.9
83.04971	7.9
83.08624	15.6
83.67923	2.6
84.04482	3.0
84.08135	5.2
85.02897	100.0
85.06522	9.8
86.09696	3.9
87.00785	3.1
87.04459	6.7
91.03941	10.6
91.05480	32.3
93.07033	29.2
93.97360	2.9
95.04981	12.2
95.08597	86.8
97.02888	48.2
97.06518	30.3
97.10162	4.4
98.97568	4.8
99.04448	14.1
99.08077	6.9
100.11275	3.0
101.02378	4.1
103.03933	5.8
105.07021	31.0
107.04932	10.8
107.08595	15.8
109.02871	20.1
109.06524	6.2
109.10147	15.6
111.04446	6.4
111.08044	3.0
113.09650	5.2
115.03931	2.6
116.98591	3.7
117.06992	7.7
119.01902	4.2
119.08570	29.2
121.06490	8.3
121.10149	13.4
122.05996	3.3
122.10487	2.7
123.04417	7.4
123.08018	7.6
123.11675	3.2
125.05900	4.5
125.09620	6.2
127.03907	35.6
128.04228	2.8
129.05476	6.2
131.04900	2.8
131.08592	4.4
132.09285	2.4
133.06499	4.3
133.10110	22.6
135.11702	14.4
136.07532	2.7
137.05945	6.4
137.09612	7.2
137.13208	8.2
143.08513	4.4
145.04942	11.4
145.06471	6.0
145.10075	6.1
147.11664	4.5
149.05916	3.7
149.13315	2.9
151.07628	3.5
155.08548	3.7
157.10010	2.7
158.99632	3.8
159.06541	5.0
159.11658	6.9
161.05988	3.2
161.13245	56.9
163.03886	10.0
164.07086	4.6
167.07126	12.4
167.08528	3.4
171.06483	3.8
173.02347	4.1
173.13217	2.8
175.07474	3.1
175.10976	2.9
179.14316	32.5
181.04965	33.7
183.06465	4.1
193.08572	4.1
197.15286	6.6
199.14726	3.3
201.16386	2.7
207.06425	6.2
210.14842	3.3
215.07011	4.2
221.08093	8.1
222.04654	2.7
227.11751	2.7
233.08154	3.1
237.02827	3.9
249.07487	6.0
253.09723	4.2
253.17961	9.5
255.11258	11.7
257.13052	2.5
258.09155	3.6
259.09634	10.2
271.10800	5.0
271.19009	91.0
283.10550	4.0
371.45020	2.7
403.13623	12.4
415.14182	3.3
433.15140	14.1
433.24210	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	433.2348
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03942	2.1
53.75776	1.7
55.05510	10.0
57.03432	12.0
57.07052	5.1
67.05502	59.6
68.99757	1.6
69.07069	10.4
71.04991	2.1
71.08624	2.6
71.35941	3.7
71.36281	3.0
75.04448	1.6
79.05058	2.5
79.05489	34.9
81.07056	65.5
82.30541	1.5
83.08598	6.0
91.05476	16.9
92.34668	1.6
93.07040	49.2
95.04961	4.8
95.08606	49.9
97.10168	2.3
98.98463	100.0
99.08075	1.6
105.07028	12.1
107.08585	29.7
109.10146	23.6
117.07001	6.6
119.08570	11.7
121.10139	21.3
123.11695	8.2
131.08537	13.0
133.10117	9.4
135.11678	16.4
137.13242	4.9
145.10117	8.6
147.11691	11.3
149.13248	12.6
151.14763	2.1
155.01057	10.9
159.11682	8.6
161.13255	6.9
163.14819	10.1
173.02106	19.2
173.13307	8.6
177.16402	2.1
187.14874	3.1
201.16472	2.0
233.22588	3.2
243.21053	17.4
261.22128	55.0
262.22446	2.0
299.23831	1.6
309.66263	1.9
317.24701	9.7
335.25775	83.4
336.25977	2.8
415.22375	3.0
428.38058	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39949	1.4
53.03942	2.0
55.05508	10.2
57.03434	9.7
57.07071	2.9
65.03903	1.6
67.05504	42.4
69.07079	9.2
69.37431	15.9
69.37775	2.5
75.04459	1.5
79.05492	30.5
79.21859	1.4
80.18441	1.7
81.07057	44.1
83.08626	3.8
89.86797	1.6
91.05479	16.1
93.07042	33.5
95.04958	3.7
95.08602	37.0
97.06501	1.6
98.21493	3.0
98.98463	100.0
99.08077	2.9
102.25497	1.7
105.07048	12.0
107.08598	28.8
109.10158	17.1
116.99487	2.8
117.07020	4.7
119.08566	13.0
121.10149	19.5
123.11716	7.0
131.08559	12.9
133.10104	9.9
135.11682	14.0
137.13243	3.6
145.10143	11.7
147.11703	6.7
149.13251	13.2
153.12730	1.8
155.01041	18.2
159.11678	12.1
161.13258	8.6
163.14783	9.4
173.02145	18.6
173.13274	8.9
175.14871	2.7
177.16434	2.7
187.14842	5.5
201.16370	2.2
233.22711	4.0
243.21039	16.8
261.22131	68.1
299.23679	1.8
317.24783	9.0
335.25778	42.9
415.22433	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29866	4.4
50.57295	3.9
53.03941	11.1
55.01860	12.3
55.05508	21.0
57.03430	8.5
59.00871	5.1
61.02931	7.1
65.03929	5.9
66.13525	3.7
67.05504	34.2
68.99772	13.9
69.03427	61.0
69.07059	27.0
69.60817	4.6
71.01325	5.0
71.04990	8.7
71.60104	5.1
73.02904	8.7
79.05483	45.1
81.03415	33.9
81.07052	82.6
83.04983	24.2
83.08609	4.8
84.08172	4.3
85.02898	34.6
85.06529	6.4
87.00835	22.1
91.05481	52.5
93.07041	78.0
95.04984	27.2
95.08045	6.2
95.08606	73.2
97.02903	23.8
97.06515	15.9
97.10178	5.0
99.04447	6.8
99.21046	3.9
103.05480	4.9
105.01852	6.9
105.04591	4.5
105.07024	93.9
107.04966	27.7
107.08589	70.3
109.02864	11.1
109.06517	17.8
109.10154	41.4
111.04421	11.4
111.08043	12.2
115.03920	12.3
115.05442	8.1
117.01807	5.1
117.07005	25.6
119.04948	4.7
119.08578	87.6
121.02835	3.6
121.06490	18.0
121.10149	49.5
121.21322	3.5
123.04411	9.5
123.08077	12.1
123.11700	13.7
125.09597	11.3
127.03918	19.6
128.06198	12.6
129.01837	8.3
129.06985	17.3
131.08563	57.8
133.06473	17.0
133.10121	38.1
134.99559	5.2
135.04353	3.9
135.08023	16.7
135.11705	19.7
137.05957	17.2
137.09659	5.9
138.89346	3.9
139.03868	5.2
141.06961	6.3
142.07771	18.0
143.08554	38.5
144.09225	5.3
145.06505	9.5
145.10110	84.3
147.08037	16.1
147.09145	4.3
147.11662	58.7
149.05995	4.7
149.09587	10.7
149.13199	6.2
151.07533	6.9
153.06982	5.9
155.08487	24.1
156.09349	9.9
157.10133	57.8
158.10901	6.6
159.02921	7.4
159.08061	14.4
159.11688	61.6
161.06075	4.8
161.09627	12.2
161.13239	22.6
163.07533	9.5
163.11179	12.7
163.14764	4.8
165.07039	5.0
165.09067	4.9
165.12706	5.9
167.07060	10.1
167.08534	7.8
168.09373	4.9
169.10117	26.7
171.08104	5.8
171.11668	38.3
173.09581	12.5
173.13255	41.2
175.07489	4.9
175.11192	14.5
175.14798	19.9
177.09076	9.1
177.12682	6.1
179.08485	4.7
180.09277	4.5
181.04915	13.4
181.10085	16.2
183.11649	29.5
185.09619	9.5
185.13240	28.8
187.11157	14.6
187.14822	17.1
189.09065	4.7
189.12747	9.4
189.16380	7.8
191.10747	6.0
193.08540	5.5
194.10913	6.8
195.11673	19.8
197.09657	5.2
197.13252	23.5
199.11171	7.3
199.14870	20.1
199.16432	4.4
201.12726	8.6
201.16365	87.2
203.14290	3.9
203.17912	36.7
205.12286	5.5
207.11696	10.1
209.13255	15.8
210.13972	4.6
211.11197	4.6
211.14830	12.6
213.03993	7.9
213.12694	10.8
213.16345	29.6
215.14450	5.9
215.17989	18.9
217.15836	7.7
218.10858	3.8
219.17430	5.4
223.14771	9.7
225.16351	19.0
227.17899	19.8
229.15840	7.9
231.17422	11.1
235.14790	6.4
237.16469	8.9
239.17859	18.1
241.19551	5.3
243.17316	25.7
247.16945	6.8
251.17902	9.0
253.16028	4.7
255.13773	5.4
255.17355	9.8
257.18997	11.7
259.09528	7.4
261.18536	11.3
265.19522	6.0
267.17453	4.0
269.19000	11.4
271.16690	4.7
273.18484	5.6
283.20490	7.9
287.19919	6.5
293.18875	23.4
311.20062	54.8
329.21088	55.4
347.22018	10.4
389.23129	6.8
397.19852	7.3
403.13657	6.9
415.21002	46.3
433.22067	100.0
434.22195	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	433.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.1
55.01865	16.0
55.05511	33.5
56.96550	5.8
57.03436	12.2
57.07051	7.4
59.04982	5.3
61.02919	9.3
67.05498	52.6
68.99802	10.3
69.03426	47.5
69.07072	38.8
69.88162	31.1
70.06584	5.8
71.04984	11.9
73.02905	5.5
79.05482	41.2
81.03419	29.1
81.07060	89.7
83.04979	51.1
83.08607	15.2
84.08188	8.0
85.02901	37.6
85.06553	5.0
86.09701	5.6
87.00822	15.9
87.40359	4.7
91.05478	64.5
93.07045	70.3
95.04993	37.3
95.08618	59.8
97.02872	19.1
97.06532	26.5
97.10143	10.2
99.04475	10.5
103.05431	5.9
105.01833	8.7
105.07024	100.0
107.04953	20.9
107.08598	65.9
109.02894	13.4
109.06496	20.6
109.10138	38.0
111.04450	15.3
111.08021	10.2
115.03952	14.1
117.06298	6.2
117.07016	31.7
119.04946	5.4
119.08579	90.9
121.06529	25.6
121.10117	43.7
123.04430	5.4
123.08048	15.3
123.11715	18.7
125.05968	8.0
125.09645	13.2
127.03896	16.1
128.06194	5.2
129.01859	11.5
129.06982	17.7
131.08591	57.4
133.06493	11.8
133.10115	45.3
134.07133	5.1
135.04440	10.0
135.08034	21.3
135.11714	15.4
137.05968	19.3
137.09625	16.1
139.03932	7.6
139.11208	7.7
142.07793	14.9
143.08574	51.6
145.06461	12.2
145.10107	51.4
147.04369	6.0
147.08028	20.8
147.11696	57.1
149.06006	8.9
149.09572	16.2
149.13237	8.9
151.11137	5.8
155.07184	5.4
155.08574	21.8
156.09335	17.2
157.06465	7.6
157.10127	48.4
159.02853	8.6
159.08012	22.1
159.11696	60.2
161.05975	8.5
161.09584	11.5
161.13277	14.1
163.03940	8.8
163.07489	8.9
163.11150	11.7
167.07042	11.4
167.08441	9.3
169.10135	23.9
170.10936	7.7
171.10297	6.4
171.11649	36.5
173.09589	15.1
173.13289	21.5
175.11183	15.1
175.14839	7.8
179.08600	8.8
181.04929	15.7
181.10118	14.1
183.11694	26.6
185.13274	22.0
187.11108	9.8
187.14799	19.5
187.64238	6.5
189.09245	8.5
189.12733	7.7
191.10677	9.9
193.08562	6.6
195.11700	12.0
197.09607	9.2
197.13264	21.5
199.11171	19.0
199.14821	24.9
201.03929	6.4
201.09189	8.1
201.12695	13.7
201.16336	28.5
203.17899	10.4
207.06697	5.8
207.11624	6.6
209.13371	12.0
211.14899	12.1
213.12762	10.5
213.16360	27.2
215.07114	6.2
215.14267	5.3
215.17947	15.6
217.12210	6.0
217.15776	6.3
221.08083	7.0
223.11320	5.7
223.14865	14.6
225.12755	11.0
225.16414	13.0
227.17969	18.0
229.15863	13.0
241.15616	7.6
243.17461	18.8
245.18874	5.7
251.14175	7.0
255.13884	5.9
257.18982	15.2
259.09589	20.3
259.13083	6.0
265.19559	8.9
269.18860	13.0
282.12268	5.5
283.20630	7.5
287.20007	8.8
293.19019	21.8
296.11267	9.0
309.12335	6.9
311.20065	57.6
329.21078	50.5
347.22449	9.1
401.16916	19.1
403.14020	5.9
415.20932	40.6
433.22104	66.9
433.30325	9.2
434.23398	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	432.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48335	0.7
55.05494	1.6
67.05497	3.0
68.05842	0.8
69.03429	0.7
69.07053	3.1
70.15810	0.6
74.07745	0.7
79.05480	2.8
81.07055	2.4
83.08598	2.2
91.05460	0.9
93.07017	1.1
94.07826	1.0
95.08603	8.8
96.08952	0.8
97.10143	0.9
105.07036	0.8
107.04951	8.7
109.10163	0.8
111.04427	1.0
121.06491	1.8
122.07275	14.2
122.93064	0.6
123.08067	10.2
123.11739	0.7
135.08028	5.5
137.05951	1.7
138.06779	1.9
143.89629	0.6
149.09607	1.5
150.06752	40.0
151.07533	95.2
152.07915	10.4
163.07504	2.8
163.11177	2.0
164.08339	2.1
165.09151	0.7
167.07027	0.8
173.09628	1.8
175.07539	2.8
175.11090	0.9
176.08327	1.6
177.09140	5.2
189.09055	1.2
191.10663	22.0
192.11057	1.8
205.12242	1.9
205.93359	0.6
206.12541	1.0
287.12628	0.7
414.34882	5.7
432.35968	100.0
433.36142	6.5
454.21414	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01291	0.4
50.76251	0.4
50.84349	0.4
53.03947	1.9
55.01852	0.8
55.05499	1.0
57.03421	0.7
59.40763	0.4
61.02922	2.5
65.03932	1.7
67.05506	3.6
68.05025	0.5
69.03413	2.9
69.07047	1.8
70.06574	0.9
71.04984	3.0
71.59904	0.9
73.02911	1.0
76.02237	0.4
79.05482	1.9
81.03398	1.8
81.07044	4.6
83.04960	0.7
83.08608	0.5
84.04497	0.5
84.08109	1.0
85.02908	4.2
85.06527	0.6
86.09692	0.8
87.00845	0.5
87.04442	0.4
89.03906	0.5
91.03951	0.9
91.05468	1.7
92.04980	1.3
93.03396	0.4
93.05760	0.5
93.07027	2.2
94.06594	1.0
95.04951	1.5
95.08592	3.5
97.02890	1.8
97.06517	1.9
97.10227	0.5
98.97560	0.4
105.07019	2.3
107.04958	1.0
107.08569	1.3
108.08955	0.5
109.02862	1.2
109.10134	0.9
111.04394	0.6
117.06985	0.7
119.08565	1.7
120.04444	1.9
120.08107	0.7
121.06490	0.6
121.10150	0.9
122.06049	1.3
123.04389	0.7
123.08051	0.6
123.11720	0.5
124.07601	0.5
126.03674	0.6
127.03892	1.6
129.06982	0.8
131.08536	0.9
133.04959	0.6
133.10115	0.9
135.07956	0.6
135.11647	0.6
136.07529	2.2
137.05968	0.9
139.03874	0.5
141.06982	0.5
143.08533	0.8
145.10110	0.4
146.05948	0.5
147.11682	0.8
148.03908	1.6
149.13246	0.6
154.06506	0.5
154.07762	0.9
157.10112	0.7
158.09700	0.6
159.11719	0.6
161.05925	0.5
161.07153	0.6
161.13257	1.4
162.05487	1.5
163.03883	1.0
165.07033	0.6
167.07167	2.3
167.08492	0.7
168.08095	1.0
169.06427	0.5
169.08810	1.0
171.11734	0.7
172.07545	0.8
173.02379	0.9
173.07080	0.6
173.08380	0.6
179.14246	0.9
181.04919	2.1
182.09602	2.4
183.09192	1.3
184.07594	0.7
184.09914	1.7
184.11209	1.5
187.08675	2.4
189.10249	0.8
194.09718	0.5
197.07007	1.6
197.08513	0.9
198.07837	3.4
198.09355	0.5
199.08656	1.4
199.12280	6.0
200.10777	0.8
209.10771	0.8
210.09111	6.6
211.08548	4.0
212.09195	7.4
212.11076	1.1
213.10294	3.4
215.06967	0.5
225.06563	1.9
225.10167	1.2
226.07233	2.8
226.10826	0.7
227.08096	1.4
227.11777	26.2
228.10144	0.8
228.12164	0.8
237.10257	2.3
238.08679	2.3
239.08153	2.0
240.08884	12.3
241.09720	13.0
253.09775	1.0
254.10379	0.9
255.11261	100.0
256.09375	1.0
256.11823	3.0
257.12863	1.8
259.09503	1.3
271.06027	1.6
271.19003	2.3
283.10748	43.5
284.08768	0.7
284.11404	0.7
285.10046	1.0
301.11890	4.3
333.14777	0.7
387.15332	1.5
397.13889	3.7
401.17346	2.4
415.15054	7.0
433.15878	7.8
446.98297	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06605	0.6
53.03938	0.9
55.05516	2.2
57.03434	5.1
57.07066	1.7
57.25121	0.5
67.05504	10.8
69.07081	2.9
69.34323	2.1
69.34754	3.2
71.08629	0.9
77.71055	0.6
79.05497	4.5
81.03436	1.3
81.07056	13.3
83.08616	1.9
85.02896	0.5
85.10192	0.8
87.29254	0.5
89.05977	0.5
90.88308	0.4
91.05481	3.0
93.07049	4.5
95.04956	1.2
95.08035	1.0
95.08606	9.9
97.06516	0.7
97.10192	0.8
98.98455	0.9
105.07020	2.3
107.08622	2.9
109.10150	4.7
111.08035	0.5
113.00015	100.0
119.08596	1.8
121.10125	1.8
123.08071	1.0
123.11722	1.8
125.09612	0.5
131.01039	1.2
132.95383	0.5
133.10109	2.4
135.11702	1.5
137.13283	0.8
139.01546	1.0
147.11702	1.2
149.13266	1.3
151.07545	4.2
151.14888	1.3
154.02625	0.7
155.01001	0.8
161.13266	1.0
163.14793	0.9
169.02609	94.5
170.03050	0.6
179.17909	0.9
245.22639	3.1
263.23718	7.5
393.03970	0.6
431.19510	0.5
431.27365	3.3
431.32440	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47327	5.1
55.05505	10.5
56.05015	8.4
56.96555	10.6
57.03402	5.7
57.07069	7.1
61.02920	6.3
67.05492	20.6
69.03414	22.1
69.07050	14.3
69.55151	43.2
70.06581	53.6
72.08161	62.5
74.06058	8.3
79.05462	9.8
80.05031	8.5
81.03402	13.0
81.07050	21.9
83.04985	12.6
84.04488	19.4
84.08121	20.0
85.02907	30.6
86.09700	100.0
87.10023	18.8
88.02122	5.6
88.03975	11.2
91.05463	20.7
93.07037	22.4
95.04939	12.1
95.08607	74.6
96.04475	9.0
96.08134	7.9
97.02865	8.3
98.97581	7.9
99.04437	6.8
102.05540	7.6
103.56037	5.3
105.06991	21.5
106.23112	5.7
107.08578	15.9
108.08088	11.2
109.02865	6.0
109.06477	13.7
109.10133	8.8
110.06065	8.3
110.07179	9.8
111.04437	5.6
113.05981	17.6
114.70575	5.8
116.98650	6.4
117.06976	7.8
119.08599	28.1
120.08109	7.4
121.10101	26.7
122.06027	6.3
123.04451	6.9
123.08060	32.3
123.11669	6.9
127.03884	11.6
129.10254	14.2
130.06520	9.0
131.08528	11.8
133.10095	14.4
135.11705	14.5
136.11182	11.1
137.05940	8.2
138.09134	6.8
140.07080	9.4
142.08618	14.4
145.10020	6.0
147.11649	15.9
149.09645	35.9
160.11195	10.0
161.05981	8.9
161.13203	9.5
163.11090	11.2
165.12704	6.7
167.07071	13.9
171.11530	8.5
176.10583	5.8
181.04926	16.0
189.12700	16.5
207.13815	91.6
212.07295	5.8
213.09161	7.2
225.14763	7.2
230.08084	21.2
234.18536	61.7
235.16893	9.1
240.06378	6.4
251.18103	8.5
252.15959	10.1
252.19470	17.0
258.07443	10.4
319.10727	9.3
391.16135	8.4
414.17163	6.8
414.24036	8.9
432.18149	15.4
432.26352	8.1
432.38052	13.0
433.14453	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	431.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48662	2.1
51.71116	2.1
53.03939	6.2
54.11142	2.0
55.01860	8.5
55.05507	17.6
56.96549	4.7
57.03441	26.0
57.07068	2.8
61.02924	67.2
67.05503	76.4
69.03430	37.0
69.07065	31.5
70.06580	4.2
71.01329	3.5
71.04984	8.1
71.35257	5.5
72.08146	2.2
73.02911	31.0
79.05493	45.9
81.03426	28.8
81.07053	100.0
83.01363	2.3
83.05003	11.1
83.08629	16.1
84.08160	3.4
85.02428	4.1
85.02906	58.5
85.06537	6.8
87.04455	3.0
91.03947	30.4
91.05473	32.6
93.06470	4.4
93.07044	77.6
95.04974	11.7
95.08591	29.9
97.02886	46.5
97.06524	16.5
97.10210	3.0
98.97578	3.1
99.04454	9.0
99.08073	5.9
101.02371	12.1
103.03943	5.6
105.07036	16.9
107.04988	11.0
107.08586	41.1
109.02889	22.2
109.06536	5.4
109.10123	6.9
111.04447	5.4
111.08074	13.6
115.03912	5.0
116.98602	2.4
117.02846	2.2
117.07015	11.1
119.04940	2.2
119.08574	10.2
121.06557	3.6
121.10134	27.7
122.10472	2.1
123.04442	4.4
123.08086	4.5
123.11662	3.9
127.03924	27.1
129.05486	4.0
131.08565	14.1
133.06601	2.2
133.10162	12.6
135.04385	2.2
135.08022	3.5
135.11690	14.5
136.07570	4.5
137.05968	13.1
139.11118	2.6
143.08534	4.9
145.04964	9.4
145.10112	4.5
146.58926	2.4
147.11693	6.3
149.09641	3.3
149.13251	71.0
151.11122	2.4
157.10155	2.6
159.07921	2.5
159.11699	33.5
160.41560	2.3
161.09625	2.6
163.03929	2.4
164.07076	4.8
167.07018	7.6
169.10141	3.1
177.00722	2.7
177.09145	3.8
177.12740	18.0
178.02609	3.1
179.88161	2.2
183.05013	2.2
183.06522	7.2
193.04996	11.6
195.13802	48.7
199.14781	2.7
199.83669	2.8
201.07597	3.0
203.45929	2.1
213.14885	7.2
221.04439	2.5
244.09566	2.3
269.17459	89.2
270.17807	4.8
297.16888	6.6
311.18503	5.7
325.82443	2.3
413.21768	6.4
431.13629	7.9
431.22498	7.5
444.88538	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	430.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07584	2.5
55.05496	5.7
57.03434	4.4
57.40320	2.5
58.06598	3.7
60.58380	2.6
61.02922	4.3
66.77891	2.5
67.05495	9.6
69.03411	9.5
69.07063	6.7
70.06577	14.2
71.59824	3.6
72.08141	9.2
79.05479	4.7
80.16322	2.7
81.03418	4.9
81.07029	7.4
82.06565	3.5
83.04974	4.1
84.04458	4.1
84.08131	10.9
84.90824	3.0
85.02902	14.6
86.06052	8.1
86.09699	28.7
89.89230	3.1
90.43371	2.7
91.05453	4.3
93.07041	7.5
94.06601	2.8
95.04969	7.2
95.08624	18.0
96.08152	4.1
97.02869	6.7
97.06513	3.4
98.09663	3.4
98.97625	3.9
105.07034	8.9
107.08575	12.8
108.08113	88.3
109.02847	5.1
109.06526	9.3
110.06036	11.0
112.07655	5.2
113.05981	2.7
119.08584	13.7
120.08056	2.8
121.10159	14.2
122.09676	3.1
123.08074	16.0
123.79632	2.9
124.07587	3.3
126.09135	3.7
127.03886	3.8
129.10231	5.6
131.08603	4.9
133.10155	5.0
138.09055	3.0
143.08549	3.5
143.11789	3.5
145.10121	6.9
147.11681	9.7
148.11174	5.9
149.09607	10.4
150.12758	7.8
151.07558	3.4
161.08351	8.8
161.13219	3.3
162.12772	4.7
167.10640	5.3
173.13266	6.4
174.12776	3.5
175.11150	4.6
176.10703	59.7
178.80664	2.6
189.12752	9.2
190.12309	3.6
190.15918	5.7
193.12085	4.5
194.11667	4.6
207.13828	18.2
208.16982	7.7
215.14166	4.5
222.18431	3.8
232.16940	36.7
233.15350	7.3
234.18465	3.6
250.18037	100.0
251.16405	8.7
251.18649	4.2
268.19098	10.1
356.17041	5.0
412.23083	13.1
430.24527	22.1
431.18802	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	430.9257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18640	0.5
56.96568	10.1
69.29599	4.0
69.30006	1.1
71.95248	1.7
98.21445	0.9
98.97582	65.3
100.45499	0.5
110.81113	0.6
116.98624	63.2
130.93269	1.0
134.99658	38.3
140.00214	4.2
142.93221	0.5
153.00711	5.7
158.01289	3.0
172.94331	3.5
176.02361	0.7
190.95390	5.1
208.96489	2.7
214.95374	1.3
232.96469	8.2
240.90837	0.7
250.97491	5.4
256.96423	13.4
262.26563	0.5
274.97501	100.0
275.97937	1.6
290.94687	1.6
292.98563	78.3
293.98917	0.8
297.99115	10.3
298.99365	0.7
306.92200	1.0
308.95694	0.7
310.99622	0.8
316.00186	7.6
323.31503	0.6
330.93747	0.6
339.01672	0.6
448.93564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
57.03430	1.2
61.02927	0.3
66.00474	0.2
67.17779	0.2
69.03429	3.7
70.06590	0.3
70.72570	0.6
71.01344	0.3
73.02910	0.5
81.03394	0.4
83.04958	0.3
85.02898	4.9
86.09701	0.3
94.04043	0.5
97.02892	1.6
98.98421	0.2
99.04456	0.4
101.02360	0.2
104.47691	0.2
108.69629	0.2
111.04461	0.4
115.03925	0.4
119.03540	0.9
127.03896	2.8
129.10136	0.2
133.02815	0.2
135.04471	0.3
136.06174	100.0
137.04575	1.0
137.06555	0.4
139.03816	0.3
145.04930	1.1
163.03891	1.0
164.07016	0.2
192.06532	0.4
237.03128	0.2
256.05945	0.3
268.10373	15.9
279.64761	0.2
392.41739	0.2
400.20032	0.2
430.10864	0.3
430.16193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	12.2
54.00404	5.4
55.01855	7.6
55.05503	11.5
56.05030	7.2
56.69667	5.4
57.40901	6.7
60.04526	26.3
65.03931	31.3
67.05483	27.5
68.85863	6.0
69.03416	14.7
69.95159	23.6
70.06585	24.0
72.08121	10.6
74.06075	14.1
75.83177	5.4
79.05492	8.6
80.05003	5.9
82.07443	5.8
83.04975	65.1
84.04491	34.5
84.08141	10.4
85.02908	22.1
89.03954	6.4
89.06030	8.1
91.05473	19.6
93.03403	18.3
94.06566	8.7
95.04969	80.6
97.02866	7.0
100.03960	10.7
103.05488	15.0
105.03386	11.3
107.04945	12.8
108.08126	9.2
111.04440	73.2
116.07074	9.2
118.06535	22.0
119.04920	14.6
120.08114	6.1
121.02846	25.2
121.06499	10.8
122.06017	13.1
123.04432	100.0
126.05562	7.0
129.05460	29.8
131.04945	15.4
132.04442	7.2
133.02853	35.7
134.06047	9.2
135.04398	21.4
136.07556	18.5
137.02403	7.1
137.06015	12.9
137.23744	6.3
138.05516	9.3
139.03899	53.1
145.02809	9.6
146.05972	37.8
147.04391	40.4
147.06593	15.4
148.03899	10.9
148.07550	24.2
149.02316	38.5
149.05945	14.0
150.03223	6.4
150.05502	19.6
151.03857	30.6
152.07072	7.3
153.05551	5.8
155.03395	6.4
157.04898	29.5
159.04446	8.5
161.02327	9.4
162.05495	15.8
163.03897	57.1
163.06171	7.6
164.07054	93.8
165.04182	7.5
165.05524	12.4
165.07773	6.0
166.05011	8.6
166.08614	10.3
167.03394	8.9
168.06551	13.1
174.05455	34.1
175.03894	20.8
175.06088	10.1
176.03477	10.0
176.07076	37.8
177.01813	25.0
177.05516	18.9
178.05017	26.7
179.03398	36.1
180.06593	17.5
181.07207	6.6
182.08138	8.1
192.06554	91.0
193.04958	20.9
193.06995	10.1
194.04495	35.8
194.08153	32.7
195.02927	32.2
202.04976	25.6
203.03392	15.6
210.07516	28.6
220.06015	79.7
221.04396	22.1
238.07079	77.4
239.05392	11.5
256.08115	18.3
353.08670	8.9
366.11432	7.5
394.11209	12.7
397.13647	7.4
412.12338	54.6
426.84634	6.0
430.13651	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00296	5.0
53.03942	8.1
55.01857	8.6
55.05501	20.3
56.05028	6.5
56.96528	4.8
57.03449	5.0
60.04520	24.2
65.03930	20.7
67.05501	31.7
69.03431	34.9
69.74467	18.2
69.74892	15.7
70.06591	58.3
71.04986	5.0
72.04489	6.2
72.08154	40.9
74.06060	6.5
76.07629	11.6
79.05476	14.5
81.03410	15.5
82.06569	9.2
83.04980	82.9
84.04513	34.9
84.08138	66.3
85.02916	31.6
86.06075	7.9
86.09695	61.7
87.04481	6.2
88.48729	4.9
89.03913	9.8
91.05475	18.6
93.03384	29.5
95.04950	33.4
96.04493	7.4
97.02908	10.0
98.21559	9.4
99.04446	6.2
100.03973	9.3
100.07600	11.3
102.05551	9.6
103.05441	7.0
105.03402	7.1
105.07018	10.7
106.06534	5.4
107.04929	11.9
108.08085	9.0
110.06031	5.2
110.07149	15.5
111.04443	100.0
116.07056	8.4
117.03365	7.0
118.06554	13.3
119.04948	9.4
120.04468	5.0
120.08046	9.2
121.02876	35.5
121.06523	7.3
122.06067	9.9
123.04441	61.8
124.03952	10.8
127.03921	7.5
128.44170	4.9
129.05487	39.4
129.10236	46.3
130.05006	7.5
131.04916	9.2
132.04411	7.8
133.02815	37.5
134.03569	7.6
134.05949	8.0
135.04385	18.1
136.07559	17.2
137.04700	10.3
137.06012	11.5
138.05421	7.6
139.03903	50.5
146.06021	28.2
147.04391	42.2
147.06430	5.1
147.07672	5.5
148.03943	13.7
148.07578	17.9
149.02359	43.0
149.06023	12.0
150.03122	9.5
150.05513	18.4
151.03915	42.6
152.07077	14.4
155.03333	5.8
157.04980	28.4
158.06084	6.2
159.04413	11.0
161.02339	8.7
161.05951	5.3
162.05540	8.6
163.03911	62.2
163.06261	8.0
164.07071	73.3
165.04214	17.0
165.05484	25.5
166.05054	7.0
166.06442	6.7
166.08633	13.5
167.03401	10.8
168.06592	7.4
174.05521	22.2
175.03925	17.6
175.06065	13.9
176.03458	7.8
176.07130	32.5
177.01857	40.3
177.05423	16.5
178.04999	23.9
178.08649	13.8
179.03412	47.7
180.06522	10.1
181.07265	8.7
182.05975	16.4
182.08162	6.5
183.06786	21.1
192.06538	69.8
193.04930	13.9
193.06749	6.0
194.04477	77.6
194.08144	25.4
195.02899	32.2
195.04558	8.5
196.06038	9.2
199.18013	10.3
202.05014	32.5
203.03355	25.7
204.06558	17.3
210.07623	20.1
219.07108	5.1
220.06021	69.4
221.04552	11.4
222.07607	11.4
238.03447	5.5
238.07076	65.6
239.05560	7.7
256.06036	63.4
256.08289	8.6
268.11865	5.9
299.20657	6.7
353.08698	16.4
360.03192	6.5
366.12064	7.7
394.11328	19.0
412.12299	65.2
412.17731	6.6
412.19913	5.7
413.11786	8.2
430.13837	69.5
430.30273	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	429.3728
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
51.88578	0.5
55.05511	4.7
57.07077	21.2
67.05503	6.2
69.03425	0.8
69.07075	5.2
71.08633	13.9
71.09388	1.4
78.08253	0.7
79.05479	3.1
81.07057	8.3
83.04986	1.1
83.08615	3.3
85.10184	6.7
86.35620	0.6
91.05474	2.5
93.07039	3.4
95.08611	8.2
97.10153	2.1
102.44511	0.7
105.07017	2.8
107.08604	7.0
109.06507	0.9
109.10164	8.9
111.04414	1.1
111.11719	0.9
117.06989	1.9
118.49319	0.6
119.08577	5.7
121.06498	1.6
121.10136	4.6
122.07326	1.4
123.08056	1.2
123.11720	1.2
131.08583	3.3
133.10152	1.3
135.08044	6.1
135.11681	2.1
137.05995	1.4
137.09604	14.3
139.07518	2.3
145.10115	2.7
147.11659	1.0
149.09613	17.8
151.07513	1.4
159.08095	1.2
159.11705	4.2
160.08849	0.8
161.06015	1.0
161.09564	0.9
162.06775	1.9
163.07465	0.9
163.11172	18.8
165.09111	100.0
166.09500	1.9
169.24579	0.7
172.08922	0.8
173.09660	2.4
173.13246	2.8
174.10353	1.5
175.11180	5.8
176.08351	2.1
177.09120	11.6
177.12738	3.6
179.10638	1.6
186.10371	1.9
187.11086	3.4
189.09111	1.5
189.12737	2.2
190.09889	1.6
191.10667	11.5
201.12773	3.4
203.10619	2.7
203.14322	0.9
204.11459	1.6
205.12233	9.5
215.14493	1.3
219.13861	5.5
233.15384	1.7
247.17003	1.0
261.18484	1.0
275.20120	1.8
289.21439	0.8
303.23096	1.8
317.24640	1.0
361.34634	0.8
373.30853	1.1
401.34268	2.0
408.91803	0.6
411.36050	1.9
429.31796	3.3
429.37219	35.0
430.32474	0.8
430.37558	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	430.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04493	0.9
67.05461	0.4
68.04992	0.4
69.03398	0.6
69.07050	0.5
69.25326	1.5
69.25751	2.5
70.06590	6.1
71.01274	0.5
72.08144	2.7
78.02863	0.3
81.03375	1.2
84.04473	1.2
84.08133	3.0
85.02865	0.9
86.09697	4.5
95.04957	0.5
103.07556	0.4
108.32466	0.3
110.07138	0.9
111.04433	0.5
115.04964	0.6
116.07061	0.6
129.10236	1.7
137.05862	0.4
139.03915	0.5
146.05960	0.8
147.04344	0.6
154.06447	1.3
155.07231	1.3
157.06519	1.8
163.03883	0.9
164.06978	0.4
166.06516	8.3
166.08595	0.4
167.07108	0.8
182.06000	15.7
183.06790	29.1
184.07503	4.3
186.05438	2.2
190.04907	0.5
201.12289	0.6
202.08237	1.1
210.05495	12.2
211.06207	0.9
212.07069	0.4
226.04965	1.5
227.05753	4.5
228.06497	3.3
229.15445	0.7
238.04988	1.9
256.06030	100.0
257.06461	3.4
266.94519	0.4
360.61984	0.4
430.11328	52.9
431.11514	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.1
57.03436	5.7
57.07069	2.6
61.90303	1.0
65.39613	1.1
66.69836	0.9
67.05501	11.1
69.07070	4.0
79.05489	10.4
80.40725	0.9
81.07047	15.1
83.08614	2.6
91.05473	4.1
93.07033	14.0
95.04970	1.1
95.08611	9.0
97.10194	1.2
98.98475	1.4
103.28998	1.0
105.07013	4.9
107.08598	8.4
109.10142	4.8
113.00012	100.0
117.06993	2.0
119.08591	2.9
121.10140	7.6
123.11678	2.9
131.08559	5.7
133.10118	3.5
135.11690	7.2
137.13243	1.2
145.10124	4.0
147.11694	3.0
149.02377	1.8
149.13278	4.1
159.11725	4.7
161.13240	3.0
163.14804	3.4
169.02603	99.0
172.95265	1.9
173.13274	2.1
177.16331	1.8
187.14702	1.7
193.04970	1.5
213.37025	1.0
233.22646	1.3
243.21028	8.7
261.22153	22.7
429.19012	3.2
429.31686	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38431	0.7
53.03949	5.5
55.01869	6.0
55.05494	2.1
57.03439	4.5
57.03656	0.8
57.54163	0.8
61.02926	4.4
64.60430	0.7
67.05498	1.7
68.99776	2.7
69.03426	24.3
69.07052	1.6
70.06591	6.4
71.05004	3.7
71.06908	0.8
71.30013	0.7
71.59180	1.0
72.08150	1.7
73.02906	5.0
79.05490	4.9
81.03415	24.2
81.07049	5.8
83.04971	2.9
84.04520	0.9
84.08122	1.7
85.02901	42.8
86.09703	4.0
87.00827	14.8
91.03934	1.5
91.05465	6.9
93.07043	10.7
95.04971	15.9
95.08592	1.4
97.02885	12.0
97.06539	1.1
99.04459	8.3
103.03928	1.8
105.01871	13.7
105.07022	11.7
107.04922	1.3
107.08588	10.7
109.02879	21.1
109.06514	2.3
110.07166	1.0
111.04421	0.8
117.01817	2.9
117.07021	2.3
119.08602	4.0
120.08126	0.9
121.06508	4.7
121.10151	12.3
125.05915	1.2
127.03917	36.8
129.01852	2.2
130.07806	3.1
132.42500	0.7
133.06552	0.8
133.10176	1.2
135.08037	1.2
135.11710	5.4
136.07556	1.1
137.05981	2.3
138.02748	0.8
145.04964	13.7
145.06232	1.0
145.06442	0.7
145.10106	13.4
147.02901	2.8
147.04305	0.8
147.08023	2.1
148.08859	0.9
159.02882	12.0
159.11671	0.8
161.09636	1.5
163.11180	100.0
164.07018	1.3
164.11499	3.3
165.09077	1.6
165.12907	0.7
167.07045	3.0
175.11201	1.9
175.47601	0.8
177.03932	1.2
181.12216	6.4
183.10210	0.8
187.11255	1.1
189.03937	3.2
189.12701	0.8
193.05074	1.2
193.12321	2.0
195.05429	1.0
205.12190	4.8
213.04036	1.6
223.13231	6.9
231.05048	7.1
243.11455	0.9
271.13281	1.0
285.12292	1.9
386.17618	1.0
393.15363	2.6
411.16583	1.8
429.21167	5.5
430.16611	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59995	0.2
51.42417	0.2
51.92546	0.2
53.03938	0.5
55.01867	0.3
55.05501	0.6
56.05043	0.7
56.96556	0.9
57.03452	0.6
61.02909	0.9
61.65902	0.3
62.01592	0.2
65.03925	0.3
67.05494	1.0
69.03419	1.8
69.07048	0.9
69.65435	0.7
69.65849	1.3
70.06588	6.1
72.08169	1.8
74.91641	0.2
79.05452	0.7
81.03408	1.7
81.07050	0.3
82.06591	0.3
83.04960	0.7
83.06084	0.4
84.04500	13.0
84.08144	1.7
85.02908	3.7
86.09702	5.1
87.04488	0.3
88.03983	0.6
91.05459	6.1
92.12666	0.3
93.07037	3.4
94.06586	0.3
95.04957	1.4
95.08574	0.4
96.04453	0.4
97.02879	2.1
98.06034	0.4
98.97582	0.8
99.04449	0.6
102.05521	0.9
103.05457	0.4
105.07025	0.9
107.04948	0.8
108.08134	0.4
109.02869	0.7
109.10153	0.4
110.06113	0.4
110.07143	0.8
111.04432	0.5
116.07121	0.7
116.98643	0.8
117.07025	0.4
119.04903	0.4
119.08574	0.6
120.08097	8.3
121.02882	0.3
121.06503	3.8
123.04422	1.1
126.05503	0.7
127.03904	1.1
129.10225	1.0
130.04985	3.7
131.08591	0.5
134.99664	0.4
135.08009	0.3
136.07559	0.8
137.05980	0.5
138.09131	100.0
139.09496	1.5
143.11804	1.3
145.04982	0.4
145.10121	0.7
146.06039	0.4
147.04404	0.7
151.75790	0.3
153.72017	0.3
154.05035	0.3
160.07619	0.8
161.01305	0.4
161.05937	0.5
162.09088	0.5
163.03949	0.5
163.11148	0.5
164.07001	0.3
173.12834	0.4
175.07445	0.3
176.07162	0.3
183.14894	0.6
186.09087	0.7
200.14020	0.3
203.11833	0.9
204.10121	2.5
208.06009	0.7
211.14459	0.4
221.12994	0.3
231.98633	0.3
235.13322	0.8
237.02811	0.5
248.09241	0.4
249.02858	0.3
249.12363	0.8
250.10718	2.9
253.84798	0.4
267.09018	0.6
267.13400	14.1
291.03860	0.4
298.08292	0.4
301.14417	0.5
359.02917	0.6
370.04544	0.4
429.16675	1.4
429.21112	1.5
441.10571	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.0
55.01856	9.9
55.05488	2.1
56.05026	2.3
56.96555	4.2
57.03437	10.3
58.50533	2.0
60.04524	3.8
61.02914	8.0
68.99774	3.5
69.03422	34.6
70.06589	31.3
70.87659	3.9
70.88032	4.9
71.05004	13.6
72.08148	8.3
73.02918	11.3
74.06049	2.5
81.03416	36.5
81.03861	4.4
81.07060	5.2
83.04973	6.3
84.04520	10.1
84.08143	10.4
85.02900	100.0
86.09696	12.9
87.00821	38.5
87.04484	3.9
91.03948	2.8
91.05459	5.1
95.06068	3.5
97.02888	45.0
98.97575	4.1
99.04462	17.4
99.08089	9.3
105.01855	62.8
108.04465	4.3
109.02876	38.0
109.06535	4.7
110.07192	2.9
111.04443	3.8
116.07089	7.7
117.01887	4.1
117.08424	3.5
117.09119	17.1
122.06012	5.2
126.05486	2.1
127.03909	84.5
127.07561	10.0
129.01836	4.9
129.10228	4.4
134.99619	3.0
136.07559	7.4
137.05983	9.3
145.04948	28.9
146.04492	3.6
147.02934	3.9
157.04955	2.2
159.02879	22.1
163.09641	4.9
164.07083	5.4
169.09683	2.2
174.61456	2.4
177.00761	2.8
177.05458	4.8
180.10211	2.9
180.13815	3.1
184.15219	2.1
186.05510	2.7
191.07042	2.9
192.06511	2.7
203.12778	3.3
209.62915	2.3
213.03867	3.9
216.87917	2.2
218.08147	4.7
231.04953	19.1
236.09096	2.8
237.02922	3.4
248.07713	3.9
249.06073	3.2
253.10695	3.9
279.04077	2.5
303.05017	7.2
304.05374	5.3
311.11060	2.1
334.56406	3.6
335.06622	9.9
336.05905	3.0
377.01834	5.1
378.02063	3.1
379.02039	4.4
381.00897	3.0
395.02448	2.7
398.39444	3.1
428.19232	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	428.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76090	0.5
53.03955	2.6
55.01879	3.5
55.05518	6.5
57.03440	3.0
57.07076	8.6
59.04983	0.7
61.02918	1.8
68.99783	1.2
69.03073	0.7
69.03431	12.9
69.67087	3.5
70.06580	1.2
71.04981	2.3
72.08134	0.5
72.93250	0.5
73.02917	2.9
79.05476	0.7
81.02976	1.0
81.03422	12.9
81.07057	0.7
82.42349	0.6
83.08636	2.8
84.08136	0.6
85.02908	27.9
86.09720	1.2
87.00832	12.4
87.04495	0.7
89.06035	26.4
91.03981	0.7
91.05460	0.8
93.07083	0.8
95.04967	0.6
97.02888	12.5
99.04474	5.1
101.09031	0.8
101.09660	11.8
105.01875	8.9
107.07076	27.7
107.08552	0.9
109.02883	11.3
117.01854	0.9
120.08084	1.4
127.03922	17.9
129.01825	1.5
145.04970	8.0
145.12262	1.2
147.02901	1.4
159.02887	6.0
163.13300	100.0
164.13705	1.2
177.10258	0.7
207.06485	0.6
213.03954	1.7
231.05077	3.0
235.35864	0.6
249.05963	0.7
400.52460	0.5
418.54294	0.7
428.22049	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01858	0.9
55.05495	1.1
56.05016	0.8
56.96554	0.8
57.03195	0.4
57.03432	2.9
58.60440	0.3
60.18246	0.4
61.02916	3.2
67.05486	1.4
68.05027	0.8
69.03424	12.3
69.07057	0.9
70.02948	0.4
70.03750	0.3
70.06590	9.8
70.72330	1.1
71.04990	0.9
71.08634	0.4
71.44323	0.3
72.08157	1.6
73.02911	1.5
74.06094	0.5
79.05499	2.7
80.75286	0.3
81.03416	4.2
81.07048	1.2
83.01346	0.6
83.04974	1.5
84.04499	3.9
84.08148	3.7
85.02904	16.4
86.09707	5.4
87.04462	1.7
91.03934	0.8
91.05485	1.6
93.07040	0.5
95.04967	1.7
95.06085	14.9
96.04490	1.3
97.02886	40.2
98.97569	0.5
99.04452	2.6
100.03973	0.6
102.05563	0.9
103.03933	0.4
103.05453	1.2
105.07027	0.6
106.06553	11.5
107.04935	2.1
109.02874	2.6
110.07147	1.0
111.05531	0.4
112.03997	0.5
112.07583	0.7
113.07120	8.3
114.05525	1.7
115.03935	2.9
116.07119	0.9
117.06944	0.4
118.06548	2.8
119.04969	0.4
119.08565	0.6
120.08095	1.1
121.10120	0.6
124.07618	0.6
127.03896	5.2
127.08710	0.4
129.07011	0.8
129.10245	2.5
130.05072	0.5
130.06549	2.0
132.04480	0.5
132.08072	0.8
133.05049	0.6
133.10115	0.4
134.06007	44.0
135.06377	0.7
140.07045	3.7
143.11823	0.9
144.08080	3.5
145.04965	1.8
146.06009	1.9
146.09615	0.7
147.04404	0.9
150.05540	0.4
152.07045	0.5
156.08098	0.7
158.06007	14.3
160.06116	0.8
160.07489	0.5
162.09135	0.4
172.07518	2.6
174.09134	1.9
176.07080	3.0
177.00665	0.5
180.13843	0.5
182.08138	1.6
183.14967	0.6
184.07426	2.5
190.08664	0.6
200.07019	1.1
202.08600	1.5
203.12796	0.7
204.13000	0.4
206.08165	1.0
212.07008	1.0
215.07352	0.4
220.09789	0.9
230.08057	0.9
237.02701	0.5
248.09131	5.9
252.09387	0.4
266.10220	100.0
267.10532	1.2
284.11353	0.5
307.20099	4.4
325.21262	3.9
366.27530	5.5
384.28555	8.1
393.88861	0.4
410.14163	0.4
428.15338	7.1
428.20169	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01866	4.9
55.05511	19.9
57.03429	4.3
59.04998	3.5
61.02916	6.6
67.05495	5.7
69.03432	17.6
69.07063	10.6
70.06577	7.4
71.04977	4.1
71.11336	2.6
72.08174	1.6
73.02930	2.6
79.05508	7.9
81.03418	11.0
81.07056	13.0
82.06569	1.6
83.04987	22.1
83.08602	3.6
83.27331	1.2
84.08123	3.0
85.02905	52.9
85.06528	2.7
86.09695	3.3
87.04463	4.7
91.03950	3.2
91.05465	9.1
93.07043	13.5
95.04971	28.4
95.08594	7.7
97.02901	16.7
97.06564	2.2
99.04456	3.7
100.11235	1.6
101.06026	13.4
103.05473	1.3
105.07034	11.5
107.04946	3.1
107.08580	13.5
109.02887	9.3
109.06517	11.0
109.10148	9.8
111.08132	2.3
111.11723	1.9
116.98600	1.6
117.07014	3.7
119.04940	2.2
119.08591	9.7
120.08121	1.4
121.06486	6.4
121.10168	9.9
123.04472	1.3
123.08082	3.7
123.11710	5.1
127.03902	9.7
129.06927	1.4
129.10220	1.4
131.08569	5.9
133.10129	5.1
135.08055	11.5
135.11667	9.7
137.05966	2.4
137.09593	2.0
139.11188	2.9
140.10683	2.2
142.15404	1.1
143.08563	2.6
144.05748	1.8
145.02797	1.7
145.04961	6.5
145.10133	9.5
147.07997	2.5
147.11713	8.2
149.09615	7.2
149.13319	1.4
151.07549	3.0
153.09180	1.4
157.10175	2.8
159.08067	5.0
159.11716	4.9
161.05986	1.5
161.09615	4.5
161.13243	3.3
163.03900	1.3
163.11185	6.5
163.14900	1.6
165.12752	70.1
167.07036	2.5
169.10208	1.4
171.11752	3.7
173.09645	4.1
173.13220	1.6
175.14847	1.9
177.05478	3.0
177.09154	9.2
177.12767	1.9
177.16373	1.5
179.10652	1.6
182.15331	2.3
187.14838	5.2
189.12685	6.7
191.10654	8.9
201.16347	2.6
203.12769	3.8
205.15947	9.1
210.14700	1.3
217.08662	1.5
217.15886	1.4
226.49895	1.3
229.15912	6.1
234.53278	1.4
247.16931	35.0
265.17993	100.0
266.18341	1.5
369.63531	1.2
427.17581	4.6
427.23160	10.2
427.32355	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82854	24.0
55.05182	22.2
55.05505	46.1
67.05506	45.1
69.07053	56.0
70.64446	64.9
70.64841	51.0
71.08631	24.6
71.70218	21.3
73.10801	25.0
77.54520	21.0
79.05497	64.9
81.07061	100.0
83.08624	28.1
83.34383	28.6
91.05480	28.5
92.67685	23.5
93.07039	72.3
95.08644	59.8
105.07057	75.0
107.08583	66.0
109.10165	48.4
111.88235	33.6
117.06982	39.2
119.08605	35.5
121.10126	44.9
122.04340	25.4
131.08623	31.3
133.10120	43.3
155.08653	24.3
203.12718	56.7
230.80244	25.5
259.12170	37.3
385.82416	24.9
427.14114	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	427.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90511	0.9
52.96336	0.9
53.03937	4.2
54.16662	0.9
55.01860	4.0
55.05254	2.0
55.05509	23.0
56.96552	1.0
57.03437	5.8
57.07064	1.6
59.04990	4.3
61.02925	7.3
67.05505	8.1
69.03428	23.6
69.07059	9.9
69.44890	3.3
69.45318	5.4
70.06582	3.4
71.04980	4.0
72.08130	1.7
72.71562	1.0
73.02902	3.1
77.15245	0.9
79.05472	5.6
81.03416	9.7
81.07051	12.6
83.04974	25.3
83.08610	5.0
84.08143	1.5
85.02898	54.0
85.06531	3.5
86.09689	2.3
87.04459	3.8
91.03944	2.1
91.05489	6.9
93.07042	10.7
95.04961	37.0
95.08601	12.3
96.32748	1.1
97.02891	18.5
97.06529	3.7
97.10191	1.6
98.20670	1.1
99.04444	4.7
100.11253	1.2
101.06013	16.6
103.05457	1.2
105.07031	12.2
107.04984	2.0
107.08582	12.5
109.02242	1.2
109.02857	7.5
109.06513	11.2
109.10144	13.8
111.04427	3.0
115.05487	2.0
117.07009	3.6
119.04931	2.6
119.08556	9.3
121.06487	4.6
121.10133	10.2
123.04413	1.3
123.08052	4.0
123.11707	5.9
125.05915	1.3
127.03906	11.1
130.07771	1.4
130.08626	1.1
131.08557	6.7
133.10124	4.6
135.08041	10.6
135.11676	9.2
137.06036	1.5
137.09634	2.1
139.11189	1.4
140.83134	1.1
142.07722	2.0
143.08545	3.0
145.04945	6.9
145.06100	1.5
145.10112	11.4
147.08084	1.5
147.11679	10.5
149.09586	6.6
149.13254	1.3
151.07516	2.8
151.11224	1.6
155.08598	1.5
157.10068	2.5
159.08058	4.4
159.11696	4.1
161.02896	1.4
161.09599	3.5
161.13235	3.8
163.07503	2.1
163.11186	9.0
165.12744	75.5
166.13028	1.2
167.06976	1.4
169.10107	1.3
171.11659	4.9
173.09592	3.9
173.13239	1.4
177.05444	1.5
177.09116	11.1
177.12820	1.4
177.16356	1.3
179.10619	1.9
179.14223	1.2
184.54123	1.2
187.11182	1.4
187.14821	5.2
189.12743	8.2
191.10626	10.7
191.14371	1.6
201.16350	1.7
203.12648	1.4
203.14392	2.1
205.15839	11.2
211.14771	2.0
217.15936	1.3
219.17511	2.2
229.15901	7.1
247.16910	45.8
249.35381	1.2
265.17969	100.0
266.18436	2.8
409.21960	1.8
427.17587	3.3
427.23288	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	426.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.2
57.07074	22.3
67.05492	2.1
68.72555	0.8
69.07053	5.2
69.50892	6.7
71.08630	38.3
72.08212	0.9
73.06557	6.7
81.07046	1.5
81.32597	0.9
83.08617	3.0
85.10181	19.8
87.04451	2.7
89.06028	100.0
91.05482	1.2
95.08611	1.4
107.07069	5.2
117.09127	3.3
127.14851	4.1
130.08644	2.7
133.08597	47.1
171.17413	5.7
177.11226	15.7
186.69205	0.9
195.12267	2.6
199.16809	1.2
212.20100	1.5
215.20065	10.0
221.13892	1.6
239.14934	3.1
259.22656	4.6
282.22946	0.9
283.17502	11.4
296.29456	1.3
365.29050	1.7
408.42413	0.9
409.31519	15.7
426.40387	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.2
57.04548	0.5
69.02839	0.1
70.06589	1.0
70.17151	0.2
70.86671	0.4
72.08133	0.2
74.06065	0.2
77.13843	0.1
81.03392	0.2
81.07067	0.2
82.06599	0.2
84.04510	0.2
84.08141	0.3
85.02955	0.2
85.99365	0.2
86.09685	0.3
89.88288	0.1
94.04051	1.3
95.06090	0.4
98.97572	0.5
108.04354	0.2
113.07062	0.2
116.98621	0.3
119.03542	0.2
123.06660	0.7
129.10210	0.2
133.05086	0.4
134.99695	0.2
137.04515	0.2
148.06151	0.3
150.07733	100.0
151.08203	1.0
163.03807	0.2
177.00752	0.2
193.05019	0.3
237.02745	0.2
282.12009	1.0
283.08347	0.2
295.11475	18.8
296.11700	0.5
359.09140	0.2
367.06943	0.2
383.27243	0.6
427.10019	0.4
427.19238	0.6
428.14371	0.4
450.24420	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
54.12473	0.6
56.05003	1.0
56.96549	1.4
59.06078	0.7
67.05473	0.7
69.03425	2.0
69.77795	0.6
70.06589	5.5
71.59122	0.6
72.08154	1.3
74.06071	0.7
79.05542	0.7
80.05014	38.3
81.03428	1.8
84.04510	1.5
84.08124	2.0
85.02877	1.9
86.09689	2.2
87.04465	24.8
89.03900	0.8
89.49448	0.6
91.05443	1.2
95.04893	0.7
97.02872	0.9
97.06544	0.7
107.04999	0.8
110.07147	1.4
114.05477	0.7
116.07097	1.2
116.98622	0.9
120.08089	1.9
122.06052	1.9
129.10208	1.0
134.99635	1.1
135.04422	1.8
136.07571	2.6
138.05461	1.2
138.09117	2.0
143.00174	0.7
145.02710	0.7
147.04427	2.4
150.05510	0.7
150.07738	4.2
163.03905	9.1
166.08632	100.0
168.06519	0.8
182.08148	0.7
202.63899	0.6
281.11063	0.8
287.13974	0.7
289.03210	0.7
305.15088	1.2
313.83936	0.7
426.13962	1.0
427.11786	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3776
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05511	24.5
56.45003	6.6
57.07096	8.6
67.05493	38.9
69.07066	40.6
69.28674	70.0
69.29082	9.9
71.08620	9.5
74.68707	5.8
79.05494	16.5
81.07056	66.9
83.08611	22.1
89.06058	13.0
91.05484	11.1
92.79031	6.0
93.07035	49.8
95.08604	100.0
96.46718	8.4
97.10162	8.5
98.20603	11.3
105.07018	44.3
107.08574	65.3
109.10157	69.5
113.71724	6.7
119.08549	42.5
121.10114	46.7
123.11719	32.1
130.44685	7.1
131.08551	14.4
133.10139	30.2
135.11682	32.6
137.13263	9.8
140.22928	7.4
145.10101	20.8
147.11722	29.1
149.13245	35.6
159.11708	22.6
161.13313	21.9
163.14824	14.3
173.13290	14.1
175.14803	19.9
187.14839	11.0
189.16435	14.8
191.17924	20.4
201.16399	17.0
203.17998	24.1
215.18033	10.2
217.19577	13.4
407.36511	11.3
425.37735	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3776
Annotation	Nervisterol
Peak:m/z	Relative Intensity
55.05496	19.2
57.07065	15.3
58.12550	3.2
67.05499	24.6
69.07063	50.5
71.08621	5.4
71.60669	4.9
71.61065	4.0
72.16031	2.9
79.05495	19.4
81.07054	63.3
83.08614	25.2
85.10140	4.1
86.54813	3.0
89.05963	3.6
91.05478	19.6
93.07035	35.1
95.08603	88.9
97.10157	11.1
105.07024	36.9
107.08585	60.3
109.10146	80.4
109.97787	3.6
111.11737	6.9
119.08569	36.6
121.10137	49.7
123.08076	4.8
123.11716	34.7
129.07031	4.4
131.08554	13.3
133.10126	30.5
135.11681	30.0
137.13237	16.6
143.08534	5.3
145.10060	21.9
147.11671	34.6
149.13231	25.6
151.14798	4.5
157.10170	6.9
159.11696	21.8
161.13222	34.0
163.14828	22.9
169.10179	5.4
171.11658	8.0
173.13237	20.1
175.14896	21.2
177.16382	15.5
179.14406	4.8
183.11674	3.4
185.13206	8.2
187.14804	20.5
189.16428	10.7
191.17920	6.3
197.13309	4.5
199.14844	7.1
201.16367	14.4
203.17947	7.8
205.19504	8.0
213.16302	7.8
215.17906	8.3
217.19469	9.6
219.21040	3.6
227.17934	6.8
228.92256	3.2
229.19438	6.7
231.21156	9.8
241.19447	6.6
243.21030	5.0
245.18913	4.1
245.22600	7.7
247.20547	5.1
255.21059	5.6
257.22467	3.6
257.63840	3.3
259.24347	4.4
267.21317	5.0
269.22699	9.5
271.20847	3.7
271.24088	3.6
281.22507	4.5
283.24173	7.2
285.25647	6.0
287.23782	4.9
297.25934	4.6
299.23715	4.1
299.76932	3.5
313.25284	8.1
315.26712	4.0
343.30099	4.1
407.36636	35.5
425.32562	4.3
425.37714	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.2
55.01873	12.3
55.05507	19.2
56.05030	3.9
56.96558	4.1
57.03434	13.2
57.07059	7.7
59.51178	2.8
61.02922	7.5
61.40963	2.7
65.03935	2.9
67.05501	34.0
68.99775	6.0
69.03428	40.8
69.07067	25.5
70.06583	5.6
70.72866	3.1
70.73209	9.6
71.04980	8.6
72.08145	8.9
72.41100	3.2
73.02909	7.6
79.05486	32.1
81.03414	29.4
81.07051	56.7
83.04980	12.4
83.08628	15.4
84.04495	23.2
84.08096	4.4
85.02900	47.4
85.06542	6.3
86.06066	11.3
86.09718	6.0
87.00807	23.9
91.05476	39.9
93.07040	60.3
95.04962	19.5
95.08604	85.4
97.02899	22.5
97.06540	12.4
97.10171	6.3
99.04458	11.4
99.08088	11.6
102.05541	19.4
103.03953	7.9
103.05466	4.5
105.01852	7.3
105.07027	49.9
107.04960	8.2
107.08593	76.2
109.02876	20.0
109.06501	11.8
109.10155	26.2
111.04449	7.7
111.08082	3.5
114.05514	7.7
115.03951	6.3
117.07035	15.6
118.65134	2.9
119.08576	53.1
120.08081	3.4
121.06496	13.7
121.10141	100.0
123.04409	8.4
123.08074	9.5
123.11698	34.0
125.09623	6.2
127.03911	33.2
128.06248	5.5
129.07002	11.2
129.10333	3.2
131.08569	22.3
133.06496	6.8
133.10132	45.6
134.07092	3.4
135.08063	13.2
135.11684	46.1
137.05994	6.9
137.09625	5.2
141.06952	5.2
142.07756	3.7
143.08546	13.6
145.02844	3.5
145.04994	4.4
145.06532	7.2
145.09174	3.0
145.10100	18.6
146.04478	3.5
147.08083	5.2
147.11646	20.4
149.05978	4.9
149.09644	13.6
149.13269	10.6
150.05521	6.6
153.06938	4.9
155.08571	3.9
157.06526	3.8
157.09030	3.3
157.10078	16.3
159.02832	5.3
159.08023	10.6
159.11670	21.9
161.09637	6.5
161.13268	15.8
163.07532	3.9
163.11191	10.2
163.14799	11.7
165.09102	4.2
166.34546	3.0
167.08292	13.7
168.09364	4.3
169.10126	6.8
171.07953	3.4
171.11664	13.4
173.05923	3.8
173.09694	7.9
173.13275	13.1
175.04021	3.5
175.11255	7.7
175.14795	23.6
177.05508	9.4
177.09229	4.8
177.12950	3.4
177.16386	66.1
179.08530	3.7
182.10803	3.6
183.11658	5.4
185.09618	4.5
185.13232	5.8
187.11206	6.3
187.14806	13.4
189.16380	8.0
191.10670	3.8
195.07631	19.2
197.13202	4.2
199.14801	8.0
201.09175	3.2
201.12665	5.7
201.16478	4.1
203.14429	4.1
205.15939	7.8
207.06532	4.0
211.11284	6.9
211.14906	5.0
213.08737	12.3
213.16321	5.6
213.26384	3.1
217.15854	10.3
219.17384	7.6
227.14226	6.5
231.04890	6.0
231.17421	6.9
243.17473	5.1
249.05931	3.4
261.18607	4.5
267.17517	6.3
275.20062	6.7
285.18423	19.3
303.19534	10.3
315.12296	4.3
326.13492	22.9
333.13321	9.0
369.15118	4.4
389.19641	14.4
407.20590	19.3
425.17001	15.0
425.22482	15.1
425.26535	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54629	2.4
56.96569	32.3
67.05494	8.0
69.03413	3.5
69.07056	6.0
79.05489	5.6
81.07035	6.6
91.05473	5.1
93.07015	5.2
95.04961	4.5
95.08601	7.8
97.06500	4.4
98.20618	4.9
105.07010	5.1
107.08556	5.8
109.10130	8.4
111.62711	2.5
119.08556	6.0
131.08501	4.8
133.10060	5.6
134.99617	2.8
135.11702	3.4
189.04443	3.7
242.72424	3.0
274.62167	3.2
307.15845	8.0
325.16885	11.0
333.13748	18.0
343.17639	6.9
351.14746	90.2
369.15799	59.9
370.15881	3.5
374.16318	13.4
407.17242	4.9
425.18900	100.0
425.25238	5.8
426.18893	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97758	4.6
53.03933	11.0
55.01866	19.0
55.05503	29.2
56.96543	5.1
57.03436	10.8
57.07074	10.0
62.53897	4.1
67.05507	29.7
68.99790	8.9
69.03435	46.3
69.07080	23.4
70.06593	6.4
71.04991	8.9
71.59758	5.7
71.60102	4.4
73.02942	6.3
79.05482	33.0
81.03409	26.6
81.07050	64.7
83.04994	11.9
83.08607	9.6
84.08170	4.3
85.02900	41.0
85.06538	7.6
86.09694	5.3
87.00826	17.1
91.05469	42.1
93.07048	50.1
95.04949	17.8
95.08602	100.0
97.02910	14.2
97.06551	9.2
97.10171	9.0
98.97608	5.6
99.04449	11.9
99.08137	8.4
100.11270	7.5
103.05463	4.1
105.01879	10.2
105.07031	43.9
107.04964	10.2
107.08594	64.3
109.02876	20.5
109.06480	13.2
109.10128	23.0
110.48521	4.0
111.08109	9.8
113.09628	6.1
115.03905	9.7
115.05460	5.5
117.06997	17.3
119.08579	57.6
120.08115	6.8
121.06519	13.5
121.10134	58.0
123.04426	5.5
123.08091	4.5
123.11718	51.5
125.02377	4.4
127.03910	17.5
128.06277	6.8
129.06985	11.2
131.04939	6.3
131.08528	26.0
133.06451	7.9
133.10139	54.9
135.08035	10.1
135.11699	13.1
137.06000	12.7
137.09628	5.9
141.06976	5.3
141.12723	5.4
142.13074	8.5
143.08568	17.4
145.02815	6.3
145.06529	5.9
145.10083	27.9
147.08051	8.5
147.11673	19.0
149.06004	8.8
149.09593	10.5
149.13281	7.6
151.07547	8.6
155.08609	5.3
156.09406	6.2
157.10152	17.6
159.02884	6.7
159.08066	7.0
159.11685	24.2
161.05984	5.3
161.09616	13.3
161.13272	12.3
163.03900	9.2
163.14807	19.2
165.09160	14.2
169.10127	11.2
171.08060	6.1
171.11646	14.8
173.09619	11.6
173.13269	13.9
175.07562	6.8
175.11185	8.5
175.14832	81.8
177.05460	12.1
177.16380	25.6
181.10132	7.1
183.11687	7.7
185.13264	6.1
187.14818	16.0
189.16351	12.4
196.12541	5.0
199.11201	8.8
199.14793	8.9
201.12602	6.4
201.16428	5.5
203.10609	4.8
207.06529	5.1
207.11765	5.1
209.13286	9.0
211.11211	6.6
211.14882	6.7
213.16495	6.2
215.14424	6.5
217.15860	7.8
219.17413	9.9
225.16443	5.8
227.14236	6.8
229.12280	7.6
229.15837	6.1
243.13818	5.9
243.17490	6.3
257.18839	4.5
267.17548	10.2
269.11893	5.8
275.20303	6.3
277.10883	6.8
285.18488	18.1
287.12714	9.8
303.19525	16.4
315.12201	14.0
333.13187	39.4
351.14703	4.5
371.18555	4.7
389.19522	14.7
407.20752	23.9
425.17685	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	425.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53124	0.9
58.73838	0.9
69.47145	4.7
69.47556	2.1
82.99861	1.4
91.89670	1.1
97.02886	1.6
101.00892	8.3
105.55653	0.9
113.00849	1.6
114.26987	1.0
119.01927	29.4
127.02439	1.4
129.03986	1.1
131.01904	8.7
137.02939	4.0
142.14799	0.9
143.01897	23.4
145.03453	10.1
149.03033	1.1
155.01897	9.8
157.03412	6.2
161.02962	53.0
162.03098	0.9
167.01953	5.3
169.03497	1.8
171.05000	1.2
173.02953	21.0
175.04549	2.2
179.01901	2.7
179.04005	1.1
185.02954	37.8
185.04582	2.1
187.04544	3.4
191.04028	6.0
197.02946	13.6
203.03996	17.0
215.04031	8.3
221.05064	2.2
227.04002	7.0
245.05075	100.0
246.05316	1.7
257.05087	4.2
263.06122	27.0
275.06110	12.1
286.83005	1.0
293.07104	5.2
305.07169	7.6
317.07190	1.3
335.08133	2.9
335.98178	1.1
365.09085	4.6
425.05997	10.1
425.11096	5.1
447.22983	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1418
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
58.68487	0.3
69.03407	0.3
70.06594	0.9
71.04314	0.6
79.89827	0.3
84.08165	0.4
85.02838	0.4
86.09707	0.4
90.47465	0.3
91.05499	1.7
102.01769	0.4
120.08098	0.4
148.02280	0.4
163.54089	0.3
281.86771	0.3
299.04361	0.6
303.30978	0.3
311.09781	1.3
425.14157	100.0
426.14581	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	425.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37124	0.6
51.79733	0.5
55.05478	0.5
57.12965	0.5
64.73614	0.4
67.05495	0.7
69.07059	1.2
69.56912	3.9
71.42555	0.4
73.63288	0.4
79.05479	1.1
81.07062	5.2
91.05449	0.8
95.08587	2.2
101.00867	1.4
107.08547	0.8
109.10133	0.7
117.28107	0.5
119.01922	6.1
126.99997	0.6
131.01917	0.6
137.02927	0.8
143.01886	2.1
147.92851	0.5
157.03462	1.0
157.14384	0.6
161.02954	3.2
175.04498	1.9
185.04337	0.8
187.00862	2.2
201.03717	2.3
203.03668	0.8
203.05270	1.9
227.05214	1.8
229.01674	2.3
235.14859	0.6
243.04773	14.4
245.06308	10.5
247.03050	1.0
271.04285	2.2
287.03729	100.0
288.04080	1.8
289.05295	96.0
290.05652	1.6
339.17749	0.7
381.18814	7.3
402.57147	0.6
425.17804	87.7
426.18167	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43587	11.8
81.07045	4.5
165.23245	1.4
175.36098	1.2
180.01428	1.3
203.05244	3.0
227.05321	1.6
243.04768	11.7
245.06322	9.8
271.04233	2.7
287.03714	86.2
289.05283	100.0
290.05435	1.8
339.17435	1.5
381.18921	7.1
425.17786	79.5
426.18124	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
53.09271	0.5
55.05501	0.9
59.04992	1.6
61.51386	0.5
63.19529	0.7
64.23782	0.6
67.05497	2.0
69.03398	0.7
69.07087	3.5
70.06606	1.1
71.59135	1.1
79.05490	1.6
81.07056	6.3
83.08636	0.8
91.05496	0.8
93.07043	2.3
95.04943	0.7
95.08611	4.0
97.02895	0.9
97.06517	1.0
101.00849	0.9
105.07009	1.7
107.04977	1.3
107.08591	2.1
109.02824	0.7
109.10163	1.6
115.83844	0.6
117.07070	0.8
119.01925	3.5
119.08566	1.4
121.10138	1.2
127.00035	0.8
131.08577	0.9
135.11633	0.9
143.01910	2.1
145.10150	0.9
147.11696	1.3
157.03429	0.8
161.02959	2.5
165.09143	2.4
167.07098	0.9
175.11003	0.7
187.00879	1.7
215.18181	0.6
227.05246	1.5
229.01997	1.8
245.06314	6.0
271.04321	1.0
287.03827	3.0
289.05301	16.0
339.17914	2.8
363.17700	0.7
368.18488	0.6
381.18869	28.0
425.17816	100.0
426.18170	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	424.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.6
55.01875	1.0
55.05519	0.4
56.05020	0.6
56.96557	1.0
58.02951	0.4
61.02921	3.2
67.05484	0.8
68.99762	0.6
69.03429	2.9
69.07022	0.5
69.67001	2.9
70.06597	3.2
71.04980	1.2
71.08631	15.5
72.08144	1.3
73.02905	1.0
79.05486	0.8
81.03409	3.7
81.07040	1.3
82.06544	0.4
84.04482	0.6
84.08144	1.1
85.02486	0.5
85.02909	5.0
85.47497	0.4
86.09693	1.6
87.00813	1.9
88.03987	5.2
88.11267	13.8
91.03959	0.4
91.05466	1.4
93.07044	0.7
95.04969	0.7
95.08597	0.8
97.02888	2.8
97.06509	0.4
98.21466	0.8
98.97575	1.6
99.04445	1.0
99.05610	0.6
102.66880	0.4
105.01848	1.2
105.07007	0.7
106.05031	3.0
107.04927	0.7
107.08597	0.7
109.02839	2.1
114.09193	0.4
116.98619	1.2
117.01855	0.5
118.05063	0.4
119.08560	0.6
120.08089	1.3
123.08080	0.4
127.03941	2.5
129.10248	0.7
130.12221	0.5
130.52933	0.4
135.08080	0.5
141.09152	0.6
145.04965	0.7
145.10066	0.5
146.04498	1.4
146.06023	1.8
147.04643	0.4
150.57886	0.4
158.11771	10.3
158.99773	0.6
159.02905	1.3
163.07118	0.8
176.12820	100.0
177.00677	1.0
177.13091	1.5
180.10210	1.0
191.02290	0.5
193.05032	0.6
219.01590	0.5
237.04500	0.4
326.17798	0.7
355.25693	0.5
357.08490	0.8
425.15588	2.0
434.78253	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3621
Annotation	Cornusalterin D
Peak:m/z	Relative Intensity
55.05503	8.5
57.07069	10.4
60.64555	2.3
66.93211	1.8
67.05498	26.1
69.07066	20.7
70.64716	7.4
71.08624	5.7
79.05495	14.3
81.07053	33.5
83.08612	11.8
85.10175	3.9
89.06011	8.0
90.07681	2.1
91.05472	14.0
93.07037	24.2
95.04992	2.5
95.08603	48.7
96.08950	2.0
97.06525	4.4
97.10167	7.3
105.07041	28.2
107.08591	33.8
109.06535	4.3
109.09452	3.3
109.10158	43.4
110.10451	2.7
110.77536	1.9
111.08060	3.3
115.59976	2.2
117.07020	8.6
119.08574	31.5
121.10146	29.5
121.41212	2.2
123.08054	7.2
123.11710	14.5
129.07031	2.6
131.08568	13.3
133.08591	4.3
133.10124	17.8
135.08078	4.9
135.11708	20.4
137.09645	2.5
137.13232	7.3
143.08569	6.8
144.09355	2.5
145.10135	17.7
147.08049	3.8
147.11702	20.7
149.13228	14.5
151.14790	4.1
155.08574	3.6
157.10114	9.2
159.11679	17.5
161.13269	25.0
161.80818	2.1
163.14813	12.1
165.09105	7.2
165.12747	3.9
169.10054	3.7
171.11684	10.0
173.13269	12.0
175.14807	18.1
177.16385	8.9
179.14345	8.0
183.11678	6.9
185.13246	6.1
187.14790	15.1
189.16389	6.6
191.17917	4.4
197.13245	4.2
199.14801	5.9
201.16397	7.9
203.17908	5.5
211.14827	4.9
213.16348	5.9
215.17979	7.8
217.19612	5.1
221.15350	11.5
225.16429	5.0
227.17912	6.9
229.19601	12.1
231.21111	6.1
239.14818	4.0
239.17953	5.2
241.19431	6.2
243.21045	10.8
245.45387	2.3
248.95874	2.1
252.21736	2.4
253.19461	2.6
259.20551	3.8
267.21130	4.1
269.22672	5.3
281.22589	4.3
283.24313	5.5
297.25720	3.3
307.24063	2.5
311.23624	6.0
313.24957	3.1
323.27408	2.6
331.26276	4.4
335.27243	3.1
349.28726	3.1
367.29904	5.0
405.35056	31.3
406.35458	3.9
423.30954	12.6
423.36209	100.0
424.36884	16.3
447.59943	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	423.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
55.05507	7.7
57.03418	2.7
57.07064	1.1
67.05505	9.9
69.03420	1.0
69.07059	12.1
71.04986	2.4
71.08612	1.4
71.51511	1.2
75.04433	1.0
79.05490	5.8
81.07052	13.6
83.04993	1.1
83.08615	5.8
85.06559	1.5
91.05489	3.4
93.07042	9.5
95.04971	1.5
95.08602	13.9
97.06509	3.5
97.10155	1.7
100.92194	0.7
105.07014	6.5
107.08577	9.2
109.06516	12.6
109.10167	5.6
111.08025	1.5
117.07010	1.0
119.08564	8.8
119.42540	0.8
121.10133	6.0
123.08059	61.6
123.11703	3.0
124.08393	1.2
128.71310	0.7
131.08578	1.8
133.10118	5.3
135.08055	12.0
135.11658	3.5
137.09604	3.9
145.10106	2.6
147.11633	3.2
149.09566	3.4
149.13232	2.4
151.11134	1.3
159.11679	3.9
161.13275	2.6
163.11111	1.3
165.12654	0.9
167.14381	0.7
173.13261	1.2
175.14803	0.8
177.12733	4.7
179.14307	22.2
233.18967	1.4
247.20493	1.2
263.19998	1.9
275.20062	4.6
279.91095	0.7
293.21097	4.8
303.26764	5.1
307.22540	1.0
331.26288	37.4
332.26642	1.6
349.23398	0.7
349.27313	11.3
367.24667	2.3
373.84393	0.7
404.48837	0.8
405.29822	2.2
423.31018	100.0
424.31213	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.9
57.07072	31.0
59.04980	0.8
67.05491	4.0
69.03407	0.7
69.07055	3.2
71.08628	28.2
71.34584	0.6
71.59995	0.9
73.06557	6.0
79.05487	2.5
81.07064	6.3
83.08609	4.9
83.95238	0.6
85.10176	25.9
87.04456	3.3
89.06025	100.0
91.05468	1.6
91.07580	1.3
92.63616	0.6
93.07033	2.8
95.04980	1.3
95.08615	4.0
97.06536	1.0
97.10155	1.4
99.08135	0.7
99.11712	2.6
105.07038	2.6
107.07081	5.0
107.08588	2.9
109.06522	5.4
109.10156	2.6
110.07130	0.6
117.09137	2.6
118.78981	0.6
119.08585	2.7
121.10130	1.7
122.07317	0.8
122.25321	0.6
122.44223	0.6
123.08054	11.9
129.07097	0.6
130.08626	3.1
131.08627	0.8
133.08594	36.7
133.10193	1.6
135.08038	1.8
135.11720	1.5
137.09619	0.8
141.16376	2.3
145.10167	1.2
147.11641	1.4
149.09627	1.5
151.09685	1.2
157.10153	0.7
159.11705	1.2
173.11703	0.8
177.11229	9.0
177.12674	1.4
179.14305	16.5
185.19034	2.8
193.15903	0.8
195.12296	1.3
205.15884	0.7
226.21782	0.6
229.21713	2.4
239.14954	1.3
275.20081	0.8
283.17429	4.1
303.27051	1.0
331.26334	11.0
349.27435	2.1
366.92075	0.7
423.31110	27.6
424.31241	1.2
445.89105	0.7
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
51.50407	0.5
53.03930	0.9
55.01859	1.2
55.05508	4.2
57.03416	1.6
57.07080	5.0
59.56190	0.5
67.05504	7.4
69.03420	1.2
69.06767	0.5
69.07063	5.1
70.69716	1.9
71.04974	0.7
71.08624	3.9
73.50937	0.6
75.04485	0.7
79.05486	5.3
81.07053	12.5
83.04970	1.3
83.08597	2.1
85.02873	0.5
85.06545	2.9
91.05491	4.7
93.07044	8.5
95.04959	1.3
95.08054	0.8
95.08610	10.4
97.02875	0.8
97.06524	1.0
97.10110	0.7
99.08061	1.7
105.07007	5.5
107.08597	7.5
109.02860	0.7
109.06519	18.1
109.10162	3.9
111.08076	1.0
117.06990	0.9
119.08601	4.8
121.06533	0.6
121.10141	4.3
122.07284	1.6
123.08061	31.7
123.11656	1.3
125.09585	0.7
131.08559	2.0
133.10159	2.9
135.08043	7.7
135.11673	1.6
137.09584	1.7
137.13304	0.6
145.10112	3.3
147.11679	2.6
149.09579	2.8
149.13234	1.5
157.10173	0.7
159.11678	2.0
161.09547	0.8
161.13228	1.4
163.11107	1.1
163.14799	0.7
165.12730	1.7
167.14281	1.1
173.13271	1.3
175.14896	0.6
177.12741	2.3
178.13106	0.6
179.14302	83.5
180.14639	2.0
185.13205	0.7
191.14275	1.5
193.15813	2.8
201.16438	0.6
205.15819	2.9
212.71530	0.6
229.53453	0.6
233.18977	0.7
261.22159	0.6
263.20105	0.6
275.19928	2.7
303.26871	2.0
313.25381	1.0
331.26294	40.8
332.26675	1.8
349.27420	2.2
367.24789	0.8
405.30066	1.4
423.31052	100.0
424.31357	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	423.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31009	0.6
55.01871	0.6
55.05508	4.5
56.61793	0.6
56.96571	0.7
57.03427	2.0
57.07082	3.1
65.03935	0.6
67.05502	10.3
69.03418	1.3
69.07070	5.5
69.95708	1.9
69.96127	1.1
71.04982	1.6
71.08620	1.7
77.41578	0.6
79.05493	6.4
81.03409	2.0
81.07056	13.3
83.04979	1.2
83.08609	2.8
85.02901	0.7
85.06522	1.0
90.55262	0.5
91.05476	5.1
93.07038	9.3
95.04948	1.9
95.08601	10.7
97.06532	1.8
97.10143	1.0
99.08089	1.6
101.40444	0.5
105.07021	5.0
106.25106	0.5
107.04912	0.5
107.08595	7.3
109.06516	10.7
109.10156	4.4
111.08083	1.6
113.06006	0.6
117.07013	1.7
117.75173	0.6
119.08587	6.4
121.06520	1.1
121.10114	5.1
122.07305	1.1
123.08064	30.3
123.11687	1.4
125.09624	0.8
131.08562	3.1
133.10118	4.0
135.08055	5.7
135.11696	2.4
137.09596	1.9
137.13213	0.6
137.15810	0.5
143.08574	1.0
145.09064	0.5
145.10088	2.9
147.11711	3.3
149.09601	2.4
149.13251	2.0
151.11205	0.8
151.14864	0.7
157.10143	1.0
159.11655	2.0
161.13213	1.5
163.11157	0.8
163.14867	0.7
165.09096	0.7
165.12782	1.3
167.14278	1.1
169.10091	0.8
171.11687	1.3
173.13298	1.4
175.11165	0.8
175.14819	1.0
177.12762	3.3
179.14308	41.3
180.14603	0.6
183.11804	0.7
187.14877	0.9
189.16344	0.6
191.14273	0.6
193.15894	1.9
205.15884	1.4
227.12674	0.8
233.18961	1.2
247.20639	0.7
261.22021	0.9
263.20078	1.1
275.20059	1.8
289.14816	0.7
289.21716	0.7
293.21130	1.4
303.23486	0.7
303.26785	3.1
331.26291	31.3
332.26611	1.2
349.27390	7.2
367.24789	1.6
369.23819	0.7
405.25418	0.7
405.30206	1.9
423.31067	100.0
424.31458	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	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.4
55.05514	5.9
57.03414	3.1
57.07069	2.9
63.51141	0.8
67.05503	8.0
69.07066	9.1
69.36541	9.0
71.04988	2.8
71.08620	1.7
74.06901	0.8
79.05491	5.7
81.07062	15.1
83.08619	3.6
85.06530	1.1
91.05484	4.4
93.07050	7.9
95.04999	1.5
95.08604	11.3
97.06503	2.3
97.10194	1.2
99.08108	1.4
105.07033	5.4
107.08587	7.8
109.06522	12.1
109.10153	4.8
111.08059	2.1
115.12642	0.8
117.06999	0.9
119.08597	6.9
121.10152	4.5
122.07314	1.0
123.08072	48.3
123.11718	3.0
131.08571	2.1
132.78500	1.1
133.10130	4.1
135.08035	8.1
135.11700	2.8
137.09621	2.6
145.10136	2.8
147.11700	2.5
149.09637	3.0
149.13271	3.1
151.11287	0.9
159.11734	3.6
161.13278	1.7
165.12814	1.0
173.13231	1.6
175.14893	1.7
177.12778	3.2
179.14311	28.4
180.14574	0.9
191.14214	1.2
193.15929	1.1
195.02797	0.9
205.15884	1.5
233.19000	1.4
247.20532	1.2
263.19977	1.6
270.22354	0.9
275.20111	4.1
289.25366	1.2
290.20444	0.9
293.21130	3.3
303.26834	5.3
331.26306	35.5
332.26944	1.2
349.27374	9.5
367.24670	1.6
388.33057	0.8
405.30002	2.2
423.31055	100.0
424.31619	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	423.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26551	1.9
55.05517	4.6
57.03430	2.4
57.07079	2.9
59.15031	1.6
59.75620	1.7
67.05495	12.8
69.04217	1.8
69.07062	8.9
71.08631	3.5
73.70335	1.8
75.15889	1.7
79.05488	6.7
81.07048	13.3
83.08598	3.8
85.06533	2.8
87.31631	1.9
91.05470	3.9
93.07040	7.5
95.08615	14.8
98.20752	7.9
99.08087	2.1
105.07035	8.1
107.08585	7.6
109.06504	15.1
109.10148	4.8
117.87466	2.2
119.08590	6.9
121.10165	5.5
123.08060	44.6
131.08598	4.0
133.10141	4.2
135.08075	10.9
135.11662	2.7
137.09610	4.1
145.10129	2.5
147.11694	2.4
149.09590	2.0
149.13228	2.6
159.11687	2.4
159.36884	1.9
163.14836	2.5
177.12758	3.2
179.14313	50.1
275.20053	4.0
303.26761	3.6
331.26279	38.4
367.25055	2.7
386.13306	2.0
423.31036	100.0
424.31290	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	423.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39987	0.7
52.63135	0.8
52.64973	0.8
53.03933	2.6
55.01862	2.2
55.05508	8.8
57.03437	4.4
57.07071	6.8
65.03915	1.1
67.05502	20.9
69.03423	8.0
69.07070	10.4
71.04980	2.8
71.08643	4.2
71.33958	1.8
79.05489	15.6
81.03408	7.9
81.06574	1.7
81.07054	30.6
81.65620	0.8
83.04972	2.4
83.08607	5.9
85.02897	3.1
85.06527	2.6
91.05480	13.3
93.07043	18.7
95.04987	2.2
95.08600	22.9
97.02892	3.0
97.06525	3.5
97.10159	1.6
99.04476	2.1
99.08094	2.3
105.07014	13.2
107.08589	15.0
109.02866	1.7
109.06524	19.9
109.10150	9.5
111.04475	1.1
111.08081	2.7
117.07013	3.7
119.08581	12.2
121.06490	2.2
121.10143	11.6
122.07272	1.6
123.08065	40.2
123.11710	2.9
125.09637	1.3
127.03989	1.4
129.05490	1.6
129.07019	2.3
131.08589	7.1
133.10124	8.4
135.08049	9.7
135.11703	6.1
137.09630	3.0
137.13229	1.6
139.11227	0.9
143.08557	2.1
145.10104	6.6
145.28232	1.0
147.08044	1.1
147.11687	6.4
149.09602	3.0
149.13274	4.9
155.08510	1.1
157.06505	0.9
157.10152	3.1
159.11644	4.9
161.13278	2.7
163.11148	1.1
163.14893	1.6
165.12720	2.0
169.10051	1.4
171.11711	1.7
173.13272	3.1
175.14868	1.8
177.12779	3.0
179.14305	71.8
180.14670	2.2
185.13324	1.8
187.14908	2.1
189.12831	1.3
193.15874	2.4
195.11812	0.9
201.16437	1.2
205.15929	3.7
235.17148	1.1
243.21121	1.2
247.20578	1.2
259.20624	2.5
261.22101	4.2
263.20096	1.2
273.22098	0.9
275.20163	3.1
277.21637	1.9
289.21622	1.2
293.21185	1.7
303.23206	2.0
303.26895	3.7
313.21765	1.1
331.26300	37.7
332.26660	1.5
349.27393	10.6
369.24280	3.0
387.25543	3.1
405.26373	3.1
405.30719	1.3
423.31131	100.0
424.31595	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	423.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.7
53.69387	2.4
55.01863	8.2
55.05512	30.5
57.03431	10.6
57.07082	4.0
65.03950	5.1
65.64742	2.5
67.05505	100.0
69.03132	2.9
69.03432	35.9
69.07065	23.9
71.04990	10.7
71.59321	3.8
73.02899	3.7
79.05493	54.6
81.03422	46.4
81.07058	90.8
83.04983	6.6
83.08626	12.6
85.02901	22.9
85.06550	8.0
91.05476	42.0
93.07044	77.8
95.04961	16.6
95.08607	59.1
97.02895	14.5
97.06508	6.8
97.10146	4.7
99.04439	11.4
99.08081	6.0
105.07028	42.4
106.95434	2.5
107.04912	2.5
107.08597	32.7
109.02892	5.5
109.06516	12.2
109.10160	27.5
111.04449	6.7
111.08076	5.3
117.07027	15.8
119.08581	27.2
121.06477	6.8
121.10148	33.9
123.08064	17.7
123.11710	12.3
127.03918	9.6
129.05486	3.2
129.06989	11.0
131.08574	28.9
133.06467	2.9
133.10130	29.9
135.08067	9.9
135.11705	24.8
137.09578	3.0
137.13264	3.8
139.11171	2.7
143.08562	10.4
145.10133	19.8
145.90228	2.6
147.08098	2.8
147.11685	21.0
149.09656	3.5
149.13245	15.2
155.08699	3.7
157.10115	7.0
159.11681	19.8
161.13235	10.7
163.14839	6.1
169.10135	3.5
171.11717	7.6
173.09633	3.8
173.13278	13.9
175.11270	3.6
179.14282	17.6
184.08861	3.2
185.13341	3.9
187.14824	7.2
209.13380	2.6
217.15837	2.9
243.21088	5.1
251.51831	3.1
259.20630	10.4
261.22144	25.8
273.22067	3.3
275.20172	3.8
277.21573	7.5
279.23444	3.0
289.21701	5.2
301.21698	3.9
303.23196	7.3
315.23193	3.2
331.26373	12.8
345.24014	3.8
351.23160	4.6
369.24130	15.5
387.25177	9.6
405.26367	15.9
419.94012	3.3
423.26932	16.2
423.31131	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	423.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01878	3.1
55.05510	14.8
57.03425	5.7
57.07069	5.1
57.77827	1.4
65.03899	1.5
67.05502	36.4
69.03433	14.5
69.07067	13.9
71.04991	4.5
71.08642	5.6
71.39495	3.4
73.02908	1.8
79.05492	25.4
81.03414	20.8
81.07056	45.4
81.07520	3.0
83.04985	4.9
83.08623	5.8
85.02901	7.9
85.06554	4.5
91.05476	18.7
93.07042	33.7
95.04968	6.2
95.08608	35.9
96.08952	1.9
97.02883	5.9
97.06550	6.7
97.10159	4.3
99.04456	3.0
99.08096	4.0
105.07030	19.9
107.08587	19.1
109.02892	2.7
109.06511	20.7
109.10153	13.1
109.24345	1.5
111.08054	3.2
117.07011	8.7
119.08590	17.6
121.06473	2.4
121.10149	15.7
123.08068	37.2
123.08924	1.9
123.11729	7.0
125.09666	1.5
127.03990	1.8
129.05539	1.6
129.07027	5.9
131.08560	11.1
133.10100	15.5
133.10950	1.6
135.08052	9.6
135.11719	10.0
137.09619	4.2
137.13263	1.7
141.06976	2.1
143.08604	5.6
145.10129	10.6
146.53477	1.7
147.08125	1.6
147.11673	10.2
149.09654	4.2
149.13307	6.4
155.08563	3.3
157.10120	2.0
159.11723	8.4
161.13307	7.9
163.11244	3.3
165.12813	2.7
169.10194	2.2
171.11746	4.4
173.13298	6.3
175.11171	2.0
175.14876	3.4
177.12776	4.1
179.14305	63.3
185.13324	2.2
187.14809	3.6
191.14417	1.8
193.15916	2.4
197.13364	1.9
199.14883	2.0
205.15952	3.8
213.16451	1.8
243.21118	1.8
259.20547	2.6
261.22171	11.6
271.20670	1.5
275.20062	2.2
277.21637	3.0
279.65463	1.5
289.21783	2.6
293.21304	1.9
303.23398	5.7
307.63239	1.6
315.23102	2.2
322.21103	1.6
327.23105	1.9
331.26318	39.5
331.30054	2.7
349.27417	11.2
351.22995	2.3
361.80862	2.0
367.25479	1.7
369.24399	4.6
387.25449	5.5
405.26501	6.1
423.31186	100.0
424.31467	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2352
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
55.05505	0.7
55.24828	0.3
57.07053	0.5
63.51844	0.3
67.05501	1.7
69.07059	0.7
70.06577	1.6
71.06944	0.3
71.59058	0.4
79.05484	0.9
81.07054	1.9
82.46689	0.3
83.04916	0.4
83.08622	0.3
87.63888	0.3
88.07633	1.3
91.05486	0.8
93.07050	0.9
95.04973	0.3
95.08590	1.7
102.09146	0.8
105.07032	0.7
107.08584	0.9
109.06492	0.7
109.10160	1.4
117.07084	0.4
119.08558	0.8
120.51246	0.3
121.10114	0.7
123.08038	0.8
133.10135	0.4
135.08081	0.3
143.08540	0.5
149.02325	5.9
149.03455	0.5
150.02698	2.4
157.10201	0.4
179.14320	1.1
190.32385	0.3
193.04951	5.5
194.05298	3.5
209.47047	0.3
214.86217	0.3
221.78380	0.3
229.07719	0.3
256.26385	1.3
257.26663	2.5
331.22726	0.5
331.26401	0.9
349.19852	0.6
423.23560	100.0
423.29343	9.3
424.23840	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
53.69057	0.8
54.03456	0.9
55.05503	3.5
57.03435	0.8
65.03938	1.9
67.04254	5.6
67.05497	3.3
68.80402	0.8
69.03421	2.3
69.07061	2.4
70.06585	2.7
70.88521	1.8
70.88876	1.1
73.02906	1.2
79.05500	4.8
80.05012	3.7
81.03397	2.0
81.07089	4.3
82.06583	32.3
83.04977	1.4
83.83597	0.7
84.04497	1.9
84.08138	2.7
85.02914	4.0
86.09688	1.7
88.03983	1.6
91.05471	4.8
93.03412	1.0
93.05788	20.7
93.07035	6.1
94.06565	2.6
95.04975	2.0
95.08595	2.6
98.06066	1.0
99.04440	1.3
100.03977	1.2
100.07585	1.4
102.05535	1.0
105.07035	4.6
106.06568	1.9
107.08590	3.2
108.04436	1.0
108.08118	21.5
109.06509	1.2
109.10155	1.4
110.06053	4.6
110.09695	2.6
117.07043	1.7
118.06548	2.6
119.08595	2.8
120.04439	0.8
120.08105	3.2
121.06485	2.2
121.08883	0.9
121.10155	1.1
122.09676	4.5
123.10461	1.2
123.11684	0.9
124.11238	1.6
127.03909	1.8
129.06995	1.6
130.05017	1.1
130.08633	0.9
131.08539	1.2
133.10118	2.1
134.83595	0.7
135.06818	3.8
135.11697	4.9
136.07578	11.1
136.11176	1.5
138.05548	1.4
145.10152	1.0
146.04506	1.2
148.07529	1.9
150.12778	14.7
151.13571	4.7
152.14337	15.4
153.12793	1.1
154.15904	1.1
159.11676	1.0
161.13240	2.1
162.12808	1.6
164.07085	4.9
164.14354	0.8
165.07860	2.8
166.08633	2.8
174.05435	0.9
178.15907	2.2
180.13811	1.2
181.58954	0.8
182.08090	1.0
184.09680	1.8
188.14334	1.0
189.06593	0.8
192.06682	0.8
196.16975	11.3
198.11121	1.3
203.05284	2.3
208.13330	7.2
208.16936	2.0
209.02855	0.9
210.07620	1.9
210.14854	5.3
228.08659	6.3
236.16466	0.8
243.09950	1.3
250.14417	1.4
252.15950	45.8
253.16177	1.3
254.17538	4.0
280.15445	63.8
281.15692	1.6
282.16974	6.7
296.18597	5.0
313.08075	0.9
324.18060	100.0
325.18353	5.0
331.09174	1.5
335.22913	0.9
359.00748	1.4
361.21164	2.2
363.11755	1.1
377.01877	16.2
378.02057	1.5
379.17532	0.8
379.22089	11.6
391.11517	1.7
395.02844	10.9
396.03067	1.6
400.03534	1.6
405.23633	2.5
423.16327	17.4
423.24774	15.1
424.16406	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29021	1.8
53.03933	3.4
54.03468	1.9
55.05508	7.6
57.03429	2.8
67.05497	19.4
69.03425	46.6
69.07063	11.7
70.06586	3.9
70.78236	3.9
70.78606	3.6
72.04514	8.7
74.02438	26.5
79.05489	50.9
81.03417	32.3
81.07063	30.5
82.02930	4.3
83.01345	3.0
83.58692	1.8
86.09757	2.7
88.05659	2.2
89.92549	1.7
91.05477	27.3
93.07043	49.4
95.04955	15.9
95.08604	5.3
98.06006	2.2
99.04465	36.0
99.05563	34.2
100.03981	13.7
102.07829	2.1
103.05441	2.5
105.07033	20.1
107.04951	21.9
107.08586	21.3
109.06520	18.3
115.05483	2.1
116.07095	2.6
117.07078	15.3
118.05020	17.4
119.08560	10.7
121.06498	15.8
121.10110	2.9
129.06963	2.1
130.07787	7.8
133.10149	5.3
135.08147	2.3
135.11671	25.8
143.08521	2.8
145.06075	14.1
145.10117	41.3
146.04472	100.0
153.72928	2.0
163.07135	82.2
163.11160	34.5
178.74599	2.0
217.30391	2.3
226.10738	2.5
243.13416	7.8
307.16522	5.5
325.17554	95.9
326.18143	2.8
428.73727	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	423.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
54.03459	2.3
55.01861	2.9
55.05495	6.1
55.54584	1.6
55.58342	1.5
57.03442	2.7
57.07062	2.0
67.05162	2.2
67.05496	24.4
69.03424	48.0
69.07056	10.7
70.06590	8.3
70.21752	6.9
70.68261	1.6
71.88159	1.6
72.04498	4.9
74.02432	30.7
79.05488	54.9
81.03412	37.3
81.07056	26.1
82.02917	6.7
83.04983	1.9
84.08121	1.7
85.02890	2.9
86.09701	2.6
90.25245	1.7
91.05480	40.1
92.05798	1.7
93.07033	51.6
95.04958	20.8
95.08607	4.2
98.06035	2.0
99.03834	2.3
99.04467	31.9
99.05566	36.7
100.03970	14.5
103.05484	2.2
105.07018	20.0
107.04952	22.3
107.06078	1.8
107.08575	23.5
108.08092	2.6
109.06506	24.0
115.05471	2.0
116.07078	2.1
117.07052	15.3
118.05013	17.9
119.08568	11.8
121.06491	17.1
121.10135	3.3
128.03436	1.6
130.07748	5.2
133.10110	4.3
135.11682	22.4
136.38252	1.7
143.08592	2.0
145.06073	14.0
145.10107	38.0
146.04469	91.7
162.12799	2.2
163.07133	81.1
163.11153	31.1
170.36603	1.7
180.13762	2.7
198.11166	2.3
209.30960	1.6
243.13474	6.7
261.15912	3.6
307.16364	6.9
308.14651	1.8
325.17532	100.0
326.17999	2.7
328.17398	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58655	0.7
56.05024	2.1
56.96543	1.2
60.11048	0.6
60.88717	0.8
68.05030	7.1
69.03427	10.9
69.80503	4.8
70.06586	1.8
72.04517	4.0
73.02917	0.9
74.02435	9.0
81.03419	18.4
82.02943	3.6
83.01331	0.9
83.04977	2.6
83.06136	1.3
84.04503	15.8
84.08138	1.2
85.02908	1.2
86.02426	2.1
88.03992	32.6
96.04489	3.9
98.06052	1.5
99.04457	8.3
99.05553	3.9
100.03976	6.4
101.04234	3.1
102.05528	5.5
110.07152	1.0
111.05576	9.9
112.03960	1.7
113.07021	0.8
115.02154	1.1
116.07082	2.1
118.04996	7.1
120.08099	0.9
126.05531	0.9
128.03482	1.0
129.06609	2.9
129.10251	1.5
130.05003	38.5
140.03439	2.4
146.04482	46.1
147.04578	0.8
157.06084	25.7
158.04489	13.5
163.03917	2.3
163.07155	3.0
167.07033	1.2
172.04286	4.5
174.02534	0.7
175.07143	100.0
176.07509	0.8
181.45648	0.8
194.88734	0.9
194.90749	0.8
226.07043	5.1
243.09807	2.6
261.08920	0.8
293.13376	3.0
423.14340	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
54.27745	1.1
55.01871	2.7
55.05515	5.3
57.03449	2.4
61.02935	1.5
64.53268	1.0
65.03928	1.1
67.05502	3.5
68.99792	1.4
69.03430	16.8
69.07075	7.8
70.06596	1.4
70.65982	3.4
71.04981	1.9
73.02925	1.4
79.05495	4.7
81.03414	5.7
81.07055	5.8
83.04984	4.0
83.08645	1.8
84.08097	1.2
85.02909	12.1
86.09683	1.3
87.00845	7.8
88.01268	1.0
91.03949	1.0
91.05487	9.8
91.06042	1.5
93.07041	7.0
95.04983	2.4
95.08610	10.3
97.02911	9.3
97.06551	2.1
99.04481	3.0
102.05531	1.1
103.03966	2.0
105.01880	3.1
105.07043	14.4
107.05000	1.0
107.08598	11.0
108.08145	1.5
109.02865	4.9
109.06538	1.6
109.10157	5.5
111.04479	1.3
111.08056	1.3
115.03985	2.8
117.07014	3.2
118.19909	1.1
119.08587	59.7
120.08099	1.2
121.10155	12.7
123.04460	3.1
123.08080	2.0
125.06033	1.6
127.03955	7.1
128.06203	1.0
129.01871	2.0
129.06978	1.1
131.08582	8.5
133.10141	61.8
134.10909	3.5
135.08105	2.8
135.11679	3.8
143.08582	4.0
145.05031	1.2
145.10126	11.9
146.04506	3.2
147.08031	1.6
147.11694	16.8
149.13281	2.1
152.14374	3.7
156.09401	1.2
157.10089	3.0
158.10899	3.2
159.02916	2.4
159.08139	1.1
159.11696	5.7
160.12492	2.3
161.09660	1.4
161.13266	4.6
163.07556	1.2
169.10172	1.4
170.10907	1.6
171.11742	2.2
173.09598	1.8
173.13281	18.2
175.14838	100.0
177.16402	7.7
181.10129	1.5
184.12448	1.2
185.13275	3.6
187.11130	1.0
187.14857	7.4
189.16362	2.2
191.14299	1.3
197.13181	1.6
199.14821	2.6
201.04039	1.8
203.14320	2.0
205.15903	6.7
211.14841	1.3
215.14355	1.5
217.15878	2.6
227.10597	1.3
231.04996	3.0
237.16434	1.3
252.07539	1.2
255.17575	1.4
265.15945	2.3
280.15454	1.6
283.16891	5.1
297.18140	1.4
301.17984	4.7
313.10791	1.3
319.19235	2.0
324.18091	1.8
341.20801	2.8
387.18002	3.3
405.18915	7.2
423.20511	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	423.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	13.6
53.09404	3.7
55.01867	13.2
55.05499	9.6
56.05022	4.4
56.87902	3.9
56.96552	9.0
57.03435	8.5
61.02919	9.9
67.05489	17.3
68.99780	5.6
69.03428	58.4
69.07058	13.3
69.57375	30.2
70.06584	22.0
71.04978	10.9
73.02901	11.5
74.02441	4.2
78.45720	4.7
79.05482	30.3
81.03037	4.4
81.03421	43.6
81.07034	25.5
82.06580	4.8
83.01347	4.6
83.04967	20.8
84.08130	13.0
85.02907	52.1
86.09690	11.8
87.00838	27.3
91.05467	36.6
93.07016	24.6
95.04943	10.0
95.08572	17.6
97.02901	28.3
97.06525	9.0
97.10167	4.6
98.21471	7.9
99.04459	19.5
100.03973	5.7
102.05556	5.6
103.03937	6.8
103.05466	5.9
105.01845	9.6
105.07029	55.9
107.04935	15.2
107.08608	22.8
108.08097	11.4
109.02866	27.8
109.06496	8.5
109.10143	12.2
111.04386	7.6
115.03891	5.6
115.05475	8.7
116.98614	7.6
117.07000	13.8
119.04952	4.6
119.08564	17.6
120.08068	6.1
121.06497	11.2
121.10152	9.5
123.04460	6.1
127.03914	35.0
128.06210	6.0
129.06981	21.3
130.07765	4.7
131.04909	4.9
131.08575	23.1
131.09398	3.9
131.56003	4.8
133.06459	23.8
133.10109	30.3
134.10457	10.0
135.04416	4.3
135.08044	11.2
135.11671	5.9
137.05948	11.2
137.09601	7.7
141.06995	5.3
142.07777	7.7
143.08553	14.8
145.04959	13.2
145.06451	10.9
145.10121	22.5
146.04477	22.4
146.99670	5.2
147.04390	9.2
147.08078	7.3
147.11639	10.1
149.05954	6.1
149.09569	6.1
149.13338	4.4
150.12750	5.4
152.14392	22.2
155.08482	4.7
157.10118	11.5
159.02924	8.9
159.07980	8.2
159.11594	13.9
161.05911	5.2
161.13286	4.2
163.07495	8.3
163.65442	4.3
167.07011	14.1
171.08043	7.7
171.11636	11.3
173.09663	13.4
173.13164	6.5
175.11143	21.4
179.14507	4.5
183.07849	4.2
185.09563	6.8
187.11191	10.9
187.14587	4.3
189.12711	7.0
195.06529	5.3
196.16928	8.2
199.11208	6.8
201.12564	5.7
207.06439	5.1
217.12190	39.8
219.01692	8.7
229.45024	4.6
237.02873	5.9
252.15891	8.4
259.13260	6.8
280.15125	6.8
297.18027	16.8
322.58609	4.3
324.18076	7.9
337.16458	11.3
341.20676	17.1
379.13403	5.9
379.17468	31.5
392.36911	5.3
399.11877	7.0
405.14972	8.8
406.15674	4.7
423.16449	100.0
423.25211	10.0
424.17184	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	423.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	13.6
53.09404	3.7
55.01867	13.2
55.05499	9.6
56.05022	4.4
56.87902	3.9
56.96552	9.0
57.03435	8.5
61.02919	9.9
67.05489	17.3
68.99780	5.6
69.03428	58.4
69.07058	13.3
69.57375	30.2
70.06584	22.0
71.04978	10.9
73.02901	11.5
74.02441	4.2
78.45720	4.7
79.05482	30.3
81.03037	4.4
81.03421	43.6
81.07034	25.5
82.06580	4.8
83.01347	4.6
83.04967	20.8
84.08130	13.0
85.02907	52.1
86.09690	11.8
87.00838	27.3
91.05467	36.6
93.07016	24.6
95.04943	10.0
95.08572	17.6
97.02901	28.3
97.06525	9.0
97.10167	4.6
98.21471	7.9
99.04459	19.5
100.03973	5.7
102.05556	5.6
103.03937	6.8
103.05466	5.9
105.01845	9.6
105.07029	55.9
107.04935	15.2
107.08608	22.8
108.08097	11.4
109.02866	27.8
109.06496	8.5
109.10143	12.2
111.04386	7.6
115.03891	5.6
115.05475	8.7
116.98614	7.6
117.07000	13.8
119.04952	4.6
119.08564	17.6
120.08068	6.1
121.06497	11.2
121.10152	9.5
123.04460	6.1
127.03914	35.0
128.06210	6.0
129.06981	21.3
130.07765	4.7
131.04909	4.9
131.08575	23.1
131.09398	3.9
131.56003	4.8
133.06459	23.8
133.10109	30.3
134.10457	10.0
135.04416	4.3
135.08044	11.2
135.11671	5.9
137.05948	11.2
137.09601	7.7
141.06995	5.3
142.07777	7.7
143.08553	14.8
145.04959	13.2
145.06451	10.9
145.10121	22.5
146.04477	22.4
146.99670	5.2
147.04390	9.2
147.08078	7.3
147.11639	10.1
149.05954	6.1
149.09569	6.1
149.13338	4.4
150.12750	5.4
152.14392	22.2
155.08482	4.7
157.10118	11.5
159.02924	8.9
159.07980	8.2
159.11594	13.9
161.05911	5.2
161.13286	4.2
163.07495	8.3
163.65442	4.3
167.07011	14.1
171.08043	7.7
171.11636	11.3
173.09663	13.4
173.13164	6.5
175.11143	21.4
179.14507	4.5
183.07849	4.2
185.09563	6.8
187.11191	10.9
187.14587	4.3
189.12711	7.0
195.06529	5.3
196.16928	8.2
199.11208	6.8
201.12564	5.7
207.06439	5.1
217.12190	39.8
219.01692	8.7
229.45024	4.6
237.02873	5.9
252.15891	8.4
259.13260	6.8
280.15125	6.8
297.18027	16.8
322.58609	4.3
324.18076	7.9
337.16458	11.3
341.20676	17.1
379.13403	5.9
379.17468	31.5
392.36911	5.3
399.11877	7.0
405.14972	8.8
406.15674	4.7
423.16449	100.0
423.25211	10.0
424.17184	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	423.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05207	0.8
53.03927	1.5
56.96571	1.5
63.07067	0.9
67.05488	3.5
69.03429	1.7
69.07052	3.5
70.27135	2.1
70.27525	1.8
71.04962	0.8
79.05471	3.6
81.03399	1.5
81.07058	4.9
85.02904	1.1
86.09721	0.9
88.66026	1.1
91.05460	6.9
93.07040	10.5
95.04963	3.6
95.08604	3.7
97.06538	1.1
98.20805	1.4
99.87139	0.9
104.73770	0.8
105.04536	0.9
105.07020	5.3
107.04928	3.1
107.08595	14.2
109.02851	0.9
109.06551	1.6
109.10154	2.8
115.05486	1.1
117.06979	1.2
119.01904	2.7
119.08587	2.7
121.06479	1.6
121.10128	2.8
123.04482	1.2
123.11699	1.2
125.02348	0.8
127.03938	1.1
127.33645	0.9
131.04947	1.5
131.08546	1.5
133.02858	1.2
133.06429	1.1
133.10127	2.1
135.08105	1.0
135.11678	4.1
137.05988	4.2
141.07031	1.1
143.01909	1.6
145.10069	1.8
146.04506	1.1
147.04395	2.5
147.11702	1.7
149.05974	1.6
149.13174	0.9
161.02940	2.6
161.05904	1.2
162.06708	2.7
163.07324	1.3
165.09056	1.5
169.06403	1.9
173.13321	1.0
179.14481	1.1
181.06442	1.1
197.06009	2.8
199.07520	1.0
201.03743	3.2
203.05296	2.0
207.13776	1.0
215.07074	0.9
221.05017	2.5
227.05322	1.3
237.02904	1.0
243.04736	3.7
245.06393	5.1
265.07272	1.1
269.08102	1.4
271.04309	1.7
281.08099	1.2
287.03687	7.9
289.05350	12.9
337.15448	4.7
379.17221	29.4
380.17502	1.8
405.13480	1.4
423.16223	100.0
423.23361	13.7
423.36230	1.6
424.16464	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	423.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06824	2.4
54.03483	3.0
55.01864	3.0
56.05051	2.2
69.03426	22.4
70.06578	3.5
71.04987	2.5
71.58550	2.1
71.58965	5.1
72.04521	11.3
74.02444	33.0
78.83244	2.2
81.03416	28.3
82.02930	10.5
82.06578	5.3
83.01321	5.8
83.05033	2.6
84.04519	3.4
85.02901	7.2
88.03988	3.5
89.68501	1.9
95.04984	4.9
96.04491	6.3
96.49435	2.1
97.02889	15.1
99.04496	13.2
99.05569	43.7
100.03975	18.4
101.02368	2.2
102.05545	7.0
102.41690	2.0
110.06010	3.0
112.03999	2.4
114.05534	2.6
117.06663	4.2
118.05023	25.0
120.06604	2.4
122.06062	4.1
123.04491	2.4
125.39787	2.9
126.05489	2.5
127.03913	4.3
130.05003	3.2
134.06004	2.8
142.05016	2.8
145.06067	14.3
146.04478	100.0
150.05569	4.1
154.04979	3.6
156.06561	2.6
162.05585	2.6
163.07137	79.6
180.08655	5.0
186.89058	2.3
196.06059	8.8
196.24715	2.4
203.50291	2.4
219.01482	2.5
221.04921	2.3
223.07303	2.3
224.05496	5.1
226.07179	2.6
237.02992	2.8
241.08174	14.4
244.08003	3.0
254.06644	3.7
261.10706	4.3
272.07629	8.9
279.09308	3.3
280.18246	2.2
289.10300	15.4
290.08682	4.9
307.11313	8.4
325.12332	16.8
423.10999	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	423.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
54.03468	5.6
55.01855	3.5
55.05504	1.6
55.99358	1.0
56.05036	1.8
56.33504	1.1
56.96551	1.6
57.03426	1.7
60.04532	2.4
60.16043	1.0
65.03920	1.3
67.05493	4.0
68.22322	1.3
69.03425	7.2
69.07063	3.2
69.10121	1.2
69.45616	10.3
70.06583	9.9
71.04988	2.4
71.06089	1.9
72.04520	11.3
72.08155	9.7
73.02904	3.3
74.02436	55.3
74.06075	2.0
79.05481	6.0
81.03413	49.1
81.07064	6.1
82.02939	11.3
82.06570	1.6
83.01321	2.7
83.04990	2.8
84.04491	3.9
84.08134	7.0
85.02911	6.8
85.07639	1.4
86.09697	13.0
91.05474	12.1
92.05783	1.1
93.07035	4.8
95.04961	4.0
95.08595	2.8
97.02902	2.2
98.97575	2.7
99.04477	2.9
99.05575	49.7
100.03969	17.7
102.05512	1.5
103.05467	1.2
105.07050	3.8
107.04944	1.7
107.08585	3.1
109.02888	1.5
109.04588	1.1
109.06533	3.1
110.07156	2.7
111.04430	1.5
115.05460	1.5
116.98596	1.3
117.06616	4.0
118.05010	26.7
118.06403	1.6
119.04942	3.9
119.08572	2.0
120.08107	9.1
121.06451	1.8
121.80755	1.2
123.04404	1.3
128.03450	2.4
129.07040	1.7
129.10255	3.1
130.06529	1.6
131.08575	2.7
133.06496	1.5
133.10124	2.1
135.04408	2.4
135.11737	1.4
136.07608	1.5
136.27216	1.3
145.06061	19.9
145.10129	2.7
146.04477	100.0
147.04414	7.7
149.05977	1.6
151.03928	2.8
157.10048	1.5
159.07942	1.4
160.08900	1.1
161.05969	1.5
161.99306	1.1
163.07132	78.4
163.11145	3.1
175.07585	1.3
181.08517	1.7
193.04941	1.8
201.52444	1.4
216.40770	1.2
261.07590	4.4
275.10947	2.9
301.14420	1.8
325.17581	7.8
423.12283	7.8
423.17188	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09050	0.5
55.01925	0.9
55.05329	0.4
55.05559	1.0
56.05080	0.8
58.96960	0.5
60.04571	0.7
67.05199	0.4
67.05562	1.3
69.03504	2.1
69.07110	0.9
70.03112	2.0
70.06664	3.3
71.05034	0.5
72.08234	1.8
79.05532	0.9
81.03417	2.2
81.07131	1.8
82.06646	1.3
83.05035	1.1
84.04572	1.2
84.08139	2.5
85.02991	2.1
85.06583	0.4
86.09716	3.7
87.00906	0.6
91.05475	3.8
93.07101	1.4
95.04526	0.5
95.05052	1.9
95.08641	1.1
97.02972	1.2
97.06586	0.9
99.04520	0.9
101.02460	0.5
103.05534	0.6
105.07025	2.3
107.05037	1.9
107.08649	1.0
109.02920	0.7
109.06593	1.1
110.07183	1.0
111.04498	0.6
113.05764	9.5
116.07174	0.5
117.07092	0.6
117.95824	0.4
119.05003	0.6
119.08671	1.6
120.08186	2.0
121.06578	0.6
121.10201	0.9
123.04422	3.9
124.00542	0.5
127.03974	1.3
129.07060	1.1
129.10277	1.2
131.04945	0.7
131.08632	1.3
133.06647	0.7
133.10240	1.5
135.11757	0.8
136.03720	0.5
136.07668	0.7
137.06053	0.6
143.08661	0.6
145.06415	0.6
145.10181	1.1
146.04559	1.3
147.03300	0.5
147.04407	0.9
147.11761	0.5
151.03943	0.6
157.10146	0.8
159.08133	0.6
161.05916	0.5
161.09610	0.4
163.03993	0.7
163.07417	0.9
167.07043	4.6
168.07755	1.0
171.00609	1.8
173.09570	0.4
173.12968	1.0
175.03958	1.1
175.07541	0.4
175.14876	0.7
179.07100	0.8
185.04288	1.0
187.07446	0.7
191.03340	2.6
192.03845	1.9
193.03990	2.1
193.08694	0.9
205.04990	1.3
205.12276	0.5
206.05324	1.2
207.05394	1.0
226.06004	0.6
247.09735	1.1
248.09979	1.2
249.10291	2.4
252.07755	0.6
259.09711	0.5
261.07336	100.0
262.07718	2.3
275.10870	1.2
285.07684	0.7
300.09885	0.6
301.10721	0.9
313.10678	2.8
324.18015	0.8
325.17761	0.7
367.09076	1.6
381.10672	0.9
423.12332	38.2
424.12808	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13591	0.7
53.03959	1.0
55.01869	2.0
55.05504	1.5
56.05025	2.5
56.75416	0.7
56.96568	1.9
57.03431	1.2
63.04425	0.7
67.05505	2.1
69.03415	4.1
69.07076	1.6
69.67807	2.2
69.68223	3.3
70.06600	2.0
71.04978	1.5
72.08147	1.1
73.02906	0.8
74.06072	7.9
79.05479	1.9
80.05050	0.9
81.03409	3.3
81.07056	3.0
82.06580	0.8
82.58062	0.7
83.04975	1.5
84.04529	3.8
84.08151	1.0
85.02888	5.6
86.09706	100.0
87.04486	0.9
87.10036	1.6
91.05488	4.0
93.07045	2.1
95.04984	2.1
95.08614	1.5
97.02882	2.6
97.06522	2.3
98.06010	1.4
98.21465	1.5
98.97588	2.5
99.04449	1.0
103.05456	1.4
104.92207	0.8
105.07029	4.1
107.04960	1.2
107.08624	1.6
109.02873	1.5
109.06538	0.8
111.04465	1.6
115.03941	1.0
116.07130	1.0
116.98618	2.2
117.07047	1.4
119.08596	4.0
120.08109	18.7
121.10126	1.9
123.04328	0.9
126.05507	4.5
127.03902	2.7
128.98613	1.0
129.07033	0.9
131.08548	1.9
131.62811	0.8
133.06462	1.0
133.10170	1.2
134.99670	1.3
136.07600	1.3
137.05916	1.8
143.08543	1.1
145.10095	1.0
146.04448	0.9
146.11765	3.3
146.99609	1.1
157.10181	1.3
159.07967	0.8
160.07610	1.9
161.09625	1.2
163.03978	1.0
166.08669	5.9
167.07074	0.9
169.10133	0.8
169.29382	0.8
173.13179	0.8
175.14806	1.2
177.00610	0.9
186.09084	0.8
195.11276	3.2
211.14398	0.8
230.15331	1.8
235.06427	1.7
237.02858	1.9
239.13898	11.5
252.68764	0.9
274.14349	4.4
279.17020	7.4
291.17035	2.2
337.09457	1.3
351.14444	1.0
355.10730	5.9
360.19293	1.1
362.19647	3.6
406.18713	1.4
423.15662	1.0
423.20657	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.7
55.05515	12.1
57.03432	11.0
57.07079	29.2
67.05515	13.7
67.54771	2.4
69.07062	11.9
71.04985	3.1
71.59685	2.2
74.28844	2.0
75.76091	2.3
78.96922	2.0
79.05504	11.0
81.07066	29.5
83.04979	2.9
83.08608	4.8
85.06564	13.7
91.05486	9.8
93.07047	13.2
93.64700	2.0
94.31736	2.3
95.05000	3.0
95.08605	18.8
104.99252	3.3
105.07048	7.5
107.08596	13.6
109.06529	15.5
109.10156	5.9
111.04498	4.4
111.08113	2.9
119.08589	9.5
119.13076	2.2
121.10171	8.4
123.08062	11.7
123.11729	2.6
123.25549	2.4
125.05978	4.3
133.10133	4.5
135.08047	17.3
135.11665	5.9
137.05992	23.4
139.07533	2.4
143.08575	3.7
145.10193	3.6
147.04402	6.0
147.11694	5.5
149.09657	3.4
150.10342	2.0
151.07518	5.5
151.11189	4.9
154.75960	2.1
159.11703	2.8
161.09618	3.2
163.11191	4.0
165.12772	7.4
175.11163	3.1
177.12799	5.0
179.14359	4.7
191.07021	4.7
191.14330	3.1
192.07303	3.1
207.13860	9.3
233.18968	3.5
239.78447	2.3
249.18402	2.7
257.26828	3.2
263.20163	4.7
274.97336	2.5
295.24060	2.4
305.24539	3.5
319.26434	11.3
329.24759	5.3
337.27396	5.8
338.96692	5.6
347.25827	100.0
356.97751	2.5
365.26865	15.7
393.30063	7.4
403.28748	3.3
421.24969	3.8
421.29688	52.2
434.49741	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	421.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.9
57.07073	76.7
65.22376	1.0
69.07063	8.6
69.35354	0.9
71.05700	2.1
71.06042	1.4
71.08630	70.1
73.06540	2.1
81.07058	2.4
83.08614	3.5
85.10181	39.1
87.04462	2.2
89.06029	100.0
90.06383	1.1
95.08604	1.9
97.10168	4.0
99.11694	5.1
101.27856	1.1
103.03554	0.9
107.07022	5.4
107.08558	1.2
109.10163	1.5
111.11713	3.5
113.13271	4.3
117.09168	1.7
121.10148	1.1
125.13222	1.3
127.14818	2.6
130.08629	3.8
133.08597	53.8
143.18462	0.9
151.09669	4.8
157.01448	1.0
176.67026	1.0
177.11214	10.2
195.12239	3.1
202.96664	1.0
239.14894	20.9
358.43726	1.2
421.35135	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	421.3673
Annotation	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane
Peak:m/z	Relative Intensity
50.71155	9.3
51.06908	9.0
55.05498	28.8
57.07059	37.2
59.57003	10.3
67.05489	14.7
69.07057	30.2
70.63164	18.3
70.63537	19.1
71.08620	19.7
71.58215	8.4
72.55604	8.3
81.07047	19.5
83.04974	31.6
83.08603	21.1
84.53027	9.8
89.72867	8.3
95.08611	29.5
97.10201	15.9
98.21519	9.1
107.08600	13.6
109.06516	11.0
109.10106	8.9
111.08007	15.8
119.29446	8.7
135.08098	15.6
137.05986	16.7
137.09608	12.1
139.07513	12.1
151.07491	9.6
151.11137	11.9
155.07060	15.9
161.09647	23.0
189.12817	24.8
375.36133	38.0
385.34689	25.4
403.35687	100.0
404.36102	11.4
421.36798	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01862	4.8
55.05511	16.7
57.03428	7.1
57.07077	12.2
67.05499	21.6
69.03426	2.6
69.07068	20.9
70.06593	2.1
70.99291	1.9
70.99603	2.8
71.04993	1.9
71.08636	2.3
79.05486	16.6
81.07057	32.2
83.04985	4.6
83.08614	7.4
85.06519	8.0
91.05465	12.7
93.07044	21.6
95.04967	6.9
95.08607	19.9
97.06551	8.8
101.23081	1.6
104.99290	2.2
105.07025	10.3
107.04960	3.3
107.08591	19.8
109.06525	15.5
109.10150	7.9
111.04466	2.6
111.08057	2.7
117.07005	2.9
119.08572	11.5
121.06541	5.2
121.10162	7.4
123.08085	11.5
123.11738	2.8
125.05988	4.8
129.06961	2.4
131.08554	4.3
133.10117	8.2
135.08055	73.5
135.10825	1.7
135.11658	9.7
137.05975	11.8
137.09712	2.2
143.08574	4.1
145.10136	6.2
147.08118	1.8
147.11685	5.0
147.31091	1.8
149.09656	4.3
149.13283	4.5
151.07541	6.6
153.12723	5.0
157.10092	3.0
159.11769	3.2
160.78200	1.8
161.09532	9.1
161.13277	2.4
162.03157	2.3
163.11223	4.2
165.12778	2.4
172.95132	1.9
173.13251	4.2
175.11234	4.6
177.12764	19.6
179.14313	3.8
181.12219	4.6
185.13281	2.0
191.14395	3.0
193.12299	2.2
199.13174	1.9
203.14304	1.7
205.15930	3.6
206.05742	1.9
207.13794	2.0
216.83044	1.9
217.14383	2.2
221.19046	2.1
233.19041	2.2
235.20480	2.1
263.20135	3.2
287.23846	1.9
292.98309	2.3
301.25458	2.6
305.21265	3.9
305.24741	41.0
319.26361	17.9
329.21317	3.5
329.24844	15.3
345.04178	2.0
347.25790	66.3
365.27060	7.2
393.30142	5.6
403.28696	4.8
421.29575	100.0
421.78384	2.0
422.30316	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	421.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80949	0.9
55.01880	5.8
55.05512	16.8
56.96550	1.2
57.03436	11.9
57.07076	12.7
61.65041	0.9
65.03925	1.4
67.05503	28.3
68.33911	0.9
69.07066	32.7
69.30625	0.9
71.04983	2.3
71.08633	2.6
71.42397	1.7
77.59795	1.0
79.05489	19.5
81.07053	38.0
83.04979	4.2
83.08619	10.1
85.06538	8.6
91.05476	12.2
93.07040	30.6
95.04960	5.6
95.08603	29.8
97.06524	13.6
97.10152	1.8
98.87292	1.0
99.08089	2.4
104.99302	2.0
105.07027	12.0
107.04948	1.4
107.08586	28.4
109.06509	20.6
109.10164	12.1
111.04427	7.0
111.08092	4.8
111.11766	1.3
117.07047	1.7
119.08581	11.2
121.06512	2.9
121.10146	13.5
123.04422	1.2
123.08061	15.1
123.11716	3.7
125.05989	6.4
125.09657	1.7
129.06932	1.4
131.08580	4.0
133.10133	8.9
135.08046	29.3
135.11679	17.5
137.05974	17.8
137.09636	2.7
137.13266	2.4
139.07581	2.4
143.08577	2.6
145.10126	7.2
147.07962	1.2
147.11679	6.0
149.09633	4.2
149.13287	3.5
151.07513	7.7
151.11153	2.2
153.12767	5.1
157.10127	2.5
159.11752	2.5
161.09648	6.5
161.13275	1.8
163.11128	5.8
163.14833	2.1
165.09119	1.7
165.12685	5.3
167.14354	1.8
171.11627	2.1
172.95242	1.6
175.11249	3.5
175.14891	1.7
177.12756	9.0
179.10739	1.8
179.14307	5.7
181.12177	8.3
185.13350	1.4
187.14890	2.4
189.12816	2.6
190.96358	2.2
191.14346	2.5
193.12282	2.9
203.14200	1.2
205.15889	2.2
206.05759	1.3
207.13866	2.3
207.17459	1.3
217.14310	2.4
217.70903	1.0
221.15512	1.3
221.18987	4.9
235.20572	5.2
249.18471	2.4
263.20154	4.1
277.21558	1.8
287.23703	2.1
301.25339	2.4
303.19577	1.3
303.26801	1.5
305.24725	84.2
306.25192	2.2
319.26309	27.3
320.67615	1.2
329.21054	3.6
329.24835	9.1
337.27411	3.1
338.96973	1.6
347.25800	100.0
348.26233	3.7
363.18701	2.1
365.26926	9.9
393.29794	6.2
401.57654	1.2
403.28610	4.9
421.24759	2.6
421.29514	61.1
421.34213	2.8
422.29733	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55390	0.7
53.03938	1.0
55.01872	4.7
55.05256	1.0
55.05508	10.3
56.39758	0.7
57.03192	0.7
57.03442	11.8
57.07074	40.8
57.39103	0.8
62.32620	0.8
65.03943	1.0
67.05505	16.0
67.98083	0.9
69.07066	12.3
70.99364	1.2
70.99715	1.3
71.04980	2.4
71.08615	1.1
77.03947	0.8
78.99500	0.7
79.05485	10.6
81.07057	27.7
83.04979	4.2
83.08614	4.8
85.06533	15.6
91.05474	7.7
93.07046	15.7
95.04985	4.3
95.08604	17.1
97.06514	5.0
97.10146	1.2
97.17456	0.9
98.98481	1.3
105.07021	7.3
107.04974	0.9
107.08591	18.0
109.06521	17.5
109.10149	8.6
111.04437	2.9
111.08097	3.8
117.07032	0.8
118.86277	0.8
119.08586	9.4
121.06525	1.8
121.10164	8.8
123.08064	12.9
123.11703	3.0
125.05967	3.2
125.09613	1.9
129.07016	1.0
131.08575	3.2
133.10129	6.7
135.08049	16.9
135.11638	4.6
137.00043	1.2
137.05977	26.1
137.09627	2.6
137.13258	1.5
139.07579	2.9
143.08601	1.5
145.10130	2.7
147.08035	1.9
147.11661	4.4
149.09636	3.9
149.13258	2.6
150.68773	0.8
151.07516	7.6
151.08510	0.9
151.11189	5.1
153.12730	1.9
155.01068	1.2
156.09297	1.0
157.10117	1.7
159.11697	2.2
161.09589	2.9
161.13304	2.7
163.11165	2.2
163.14835	1.1
165.09164	2.4
165.12749	9.8
171.11681	1.4
173.13266	1.3
175.11160	1.7
175.14810	1.7
177.12781	5.0
179.14336	5.4
181.12230	1.2
189.12805	1.7
191.14337	2.7
193.12224	2.9
195.13846	1.6
203.14284	0.8
203.17961	1.0
205.15968	1.0
207.13797	8.5
213.12418	0.9
213.16377	1.0
215.18013	1.0
221.15443	0.8
233.19031	2.2
249.18344	1.3
261.18622	1.2
263.20062	5.1
277.18051	2.1
279.19711	1.0
291.19662	0.9
301.25125	0.7
305.24805	2.6
319.26300	13.9
329.21219	1.1
329.24799	3.6
337.27396	6.6
338.96930	1.4
346.20792	0.8
347.25806	100.0
348.26163	3.0
365.26868	20.4
393.29944	10.4
403.28394	2.8
421.29529	55.1
422.29651	1.4
422.94174	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96926	0.2
51.02366	0.3
52.11686	0.2
52.91554	0.2
53.03936	0.4
55.01862	0.6
55.05493	0.4
56.05023	0.2
57.03418	0.7
57.07076	0.3
59.07789	0.2
61.75417	0.2
65.03925	0.4
65.42274	0.2
67.05510	1.2
68.99773	0.6
69.03409	0.7
69.07045	0.7
69.57425	0.3
69.57829	1.2
70.06568	0.9
71.04979	0.3
72.08126	0.3
79.05494	1.1
81.03397	0.8
81.07063	0.3
81.52878	0.2
83.04974	1.1
83.80536	0.2
84.04473	0.2
84.08125	0.4
85.02915	0.9
86.09694	0.5
87.00819	0.3
89.03907	1.7
91.05479	2.8
93.03404	0.4
93.07007	0.3
95.04971	1.9
95.08647	0.2
97.02895	0.4
97.06547	0.2
98.97564	0.3
99.04401	0.4
101.62395	0.2
103.05438	0.7
105.03358	0.5
105.04408	0.2
105.07008	0.6
107.04958	1.9
108.01649	0.2
109.02895	0.7
110.07124	0.2
111.04429	0.7
115.05426	0.6
117.03392	1.6
117.07017	1.2
118.04169	0.3
119.04948	0.2
119.08526	0.3
120.08113	0.4
121.06478	0.3
123.04415	0.6
127.03889	0.4
129.03366	0.3
129.07021	0.4
129.54050	0.2
131.04897	0.8
131.08549	0.6
132.80171	0.2
133.02829	2.1
135.04443	1.0
135.05287	0.2
136.07581	0.3
137.09567	0.3
141.07011	0.5
143.08559	0.3
144.05638	0.3
145.02835	1.8
145.06482	2.0
145.10104	0.4
147.04376	0.8
151.03923	1.1
155.06004	0.3
159.04434	1.3
159.08044	0.7
161.02394	0.3
161.05988	0.3
163.03914	1.3
164.07042	0.3
167.06984	0.2
169.06467	0.4
173.02359	0.4
173.05954	2.1
173.09601	0.4
175.03893	0.4
177.05487	1.6
177.09163	0.2
179.03391	3.7
183.07997	0.4
187.04005	0.4
187.07538	2.7
191.03387	100.0
192.03731	1.1
201.05492	0.4
201.09071	0.3
205.04956	51.4
206.05327	0.8
211.07489	0.4
214.06239	0.8
217.04953	3.1
218.05734	3.6
219.06456	1.1
229.08612	5.6
247.09653	63.3
248.09995	1.2
263.06186	0.3
319.08078	1.4
325.08267	0.2
333.09711	1.1
340.37616	0.2
347.07620	0.3
361.09363	0.2
365.08670	28.4
366.09088	0.5
371.08652	0.3
375.14417	3.7
379.10233	14.6
380.10638	0.3
403.13965	0.9
421.14914	60.1
422.15396	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
55.01852	0.6
55.05490	0.9
55.86306	0.4
57.03402	0.5
57.07061	0.6
60.28433	0.3
65.03917	0.9
67.05476	1.6
69.03407	1.1
69.07043	1.2
69.27705	1.1
69.28127	2.9
70.06577	0.8
77.35873	0.4
79.05477	1.2
81.03390	0.7
81.07038	0.9
83.04959	1.7
84.08124	0.4
85.02894	0.8
86.09707	0.4
89.03904	1.7
91.05498	2.7
93.07020	0.5
94.04427	0.3
95.04944	1.0
97.02867	0.7
97.06506	0.3
99.08078	0.4
101.05532	0.3
103.05424	0.7
105.03374	0.5
105.07036	0.5
107.04944	1.8
109.02827	0.4
111.04417	1.1
115.05449	0.7
117.03358	1.1
117.06994	0.7
118.48824	0.4
119.04875	0.5
123.04412	1.2
129.05437	0.3
131.04919	1.0
131.08585	0.4
133.02843	2.5
135.04419	0.9
137.05962	0.5
137.13216	0.5
141.06955	0.5
144.05719	0.6
145.02838	1.6
145.06465	1.9
147.04408	0.7
151.03893	0.8
155.14320	0.7
159.04391	1.0
159.08081	0.9
161.05997	0.4
163.03894	1.5
167.07039	0.8
173.02333	0.5
173.06006	2.4
175.03860	0.4
177.05466	1.5
179.03410	3.9
183.06587	1.2
187.07509	2.8
191.03386	100.0
192.03738	1.5
205.04955	53.0
206.05278	0.7
211.07581	0.6
217.04924	2.6
218.05707	3.8
219.06500	1.3
229.08643	3.7
247.09653	66.4
248.09998	1.2
319.08112	10.9
333.09665	6.9
347.07703	0.7
361.09137	0.5
365.08658	35.8
366.09109	0.9
375.14401	22.6
376.14664	0.7
379.10223	19.4
403.14160	1.8
421.14902	74.1
422.15497	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
54.60829	0.5
55.05508	0.9
57.03426	0.6
57.07069	1.7
61.02934	0.5
65.03935	0.6
67.05505	3.3
67.85938	0.4
69.03420	3.2
69.07077	3.6
69.60913	1.0
69.61327	2.2
73.02921	0.5
79.05489	7.8
81.03402	1.5
81.07057	100.0
82.07394	0.8
84.60188	0.4
85.02906	7.4
87.00813	2.6
89.86895	0.4
93.07038	1.1
95.08610	16.3
95.76714	0.4
97.02883	5.3
99.04447	1.0
105.01872	6.2
109.02871	2.5
109.10152	0.9
127.03911	7.9
127.04799	0.7
137.13251	20.9
145.04956	5.7
147.02823	0.4
152.04178	0.5
159.02945	1.4
159.06006	0.4
159.66821	0.5
161.12138	0.4
163.22093	0.4
196.09677	0.4
213.03798	0.7
231.05043	2.8
292.71548	0.5
404.25946	0.5
415.51910	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81567	0.3
53.03944	1.2
55.01863	0.6
55.05503	0.5
56.96556	0.4
57.03426	0.4
57.07084	2.5
61.02916	0.8
61.35136	0.3
65.03942	0.4
67.05503	4.3
69.03431	2.7
69.07066	4.0
69.51757	0.3
70.78137	0.5
70.78484	0.6
71.04997	0.6
73.02908	0.8
79.05492	7.9
81.03420	2.1
81.07055	100.0
82.07378	0.9
85.02903	8.1
87.00824	3.7
93.07041	0.9
95.04961	0.3
95.08607	20.9
97.02888	5.1
99.04453	1.2
104.91380	0.3
105.01865	7.9
107.04956	0.6
108.04463	0.4
109.02838	2.5
109.10177	1.1
127.03914	9.3
137.13249	21.6
145.04948	6.8
159.02930	1.3
177.00763	0.4
202.94138	0.4
213.04027	0.5
230.06819	0.4
231.04944	2.8
248.07768	0.5
249.06161	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01858	0.9
55.05496	0.7
55.14298	0.5
56.96529	0.4
57.03415	0.8
57.11518	0.5
61.02893	0.4
65.03902	1.4
66.02332	0.3
67.05479	1.7
67.81188	0.4
68.99754	0.5
69.03399	1.4
69.07047	1.4
70.05167	0.7
70.05577	1.4
70.06591	4.5
73.02906	0.6
79.05495	2.2
81.03361	0.8
81.07033	0.8
83.04962	1.5
84.04480	0.7
84.08115	0.8
85.02872	1.3
86.09682	1.9
89.03903	2.1
91.05493	3.4
93.07023	1.0
95.04937	2.0
95.08577	0.7
97.02898	0.5
97.06568	0.6
98.97540	0.5
100.80141	0.4
102.05518	0.6
103.05450	0.9
105.07011	1.6
107.04931	2.4
107.08591	0.6
109.02829	0.6
109.06495	0.4
111.04404	0.7
115.05450	0.6
116.37148	0.3
117.03355	1.1
117.06974	1.2
119.08562	0.8
120.08073	0.5
121.02900	0.4
123.04428	1.0
127.03857	0.7
129.06972	0.5
131.04893	0.9
131.08507	0.8
133.02838	2.2
135.04413	1.2
137.05994	0.5
144.05719	0.5
145.02834	2.7
145.06470	2.1
146.04520	0.5
147.04396	0.9
147.11668	0.6
151.03882	1.3
155.05977	0.5
157.09837	0.4
159.04416	1.5
159.08005	0.9
163.03857	1.4
173.05960	2.7
173.09628	0.7
177.05461	2.0
179.03404	3.7
183.68794	0.4
187.04007	0.5
187.07635	2.9
191.03381	100.0
192.03723	1.8
193.83542	0.4
205.04948	49.6
206.05214	1.0
217.04953	3.5
218.05763	3.4
219.06477	1.3
229.08575	5.4
229.15511	1.3
235.06120	0.5
247.09642	65.8
248.10027	1.9
259.11145	2.2
264.12210	0.9
289.10510	0.7
319.08051	0.9
322.16397	0.6
323.19495	0.7
333.09650	1.2
365.08652	32.3
366.08801	0.8
375.14343	3.6
377.01898	1.0
379.10211	16.3
380.10587	0.6
403.13742	1.1
421.14893	75.3
422.15009	2.8
434.67935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31845	1.8
53.03933	6.6
55.01865	11.9
55.05515	4.7
57.03414	9.7
65.16278	2.3
67.05489	7.5
67.75424	2.0
69.03426	33.4
69.07058	7.7
70.02136	11.8
70.06569	7.2
70.48454	2.3
71.04986	16.4
72.08144	5.4
73.02888	6.4
79.05482	8.1
81.02970	2.8
81.03417	27.1
81.07043	9.0
83.08598	3.7
84.08144	3.1
85.02901	40.0
85.06506	2.6
86.09719	11.8
87.00829	17.3
87.04471	4.9
91.05454	6.3
93.07037	12.5
95.04948	4.9
95.08587	3.4
97.02902	13.0
97.06527	49.9
99.04445	7.2
99.08092	2.6
103.05446	4.3
105.01852	13.5
105.06375	2.1
105.06992	14.0
107.08587	7.2
109.02868	22.7
109.10143	9.1
110.07212	2.2
115.05437	2.4
117.01865	2.9
120.08051	2.7
127.03924	29.0
127.40578	2.2
129.01843	3.9
133.06474	12.1
135.11720	12.6
145.04947	12.4
146.04483	5.9
153.12735	42.2
159.02904	12.3
161.05983	16.1
163.04033	2.4
167.07008	5.9
171.13799	100.0
172.14114	3.2
177.05421	3.8
188.07022	3.4
193.08615	22.4
195.13860	2.7
231.04979	6.1
244.88611	2.4
333.08179	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3519
Annotation	4beta,7alpha-dihydroxycholesterol
Peak:m/z	Relative Intensity
55.05493	3.3
55.10161	2.3
55.26157	2.0
59.48207	2.3
63.89372	1.8
67.05500	3.0
69.07059	4.0
71.22806	2.5
71.23147	5.0
77.93606	2.0
79.05471	4.0
81.07059	10.7
93.07079	2.6
109.06532	11.9
109.10165	3.6
114.28853	2.3
121.06490	11.7
135.08092	2.7
136.05241	5.0
137.05980	100.0
138.06372	7.9
139.07069	3.0
149.09547	6.8
151.07352	2.7
163.07524	18.9
163.34259	2.1
177.07623	3.8
177.09105	68.5
178.09406	4.5
191.10667	29.9
192.11224	2.0
282.41583	2.3
357.62527	2.2
394.10507	2.3
401.33826	4.8
419.29092	2.7
419.34760	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.6
57.03434	17.8
57.39822	1.1
59.04999	3.0
60.04520	1.7
60.80576	1.2
69.03429	63.3
70.06534	1.2
71.04277	3.3
73.02904	1.5
74.80411	1.1
81.03411	2.9
85.02908	47.2
86.09676	1.6
87.03922	1.8
87.04465	42.6
91.05480	93.1
95.81178	1.4
97.02894	65.3
99.04443	2.0
103.03979	1.5
105.07040	2.8
107.04980	8.6
109.02841	1.8
115.03926	83.3
116.04301	2.0
117.05516	3.3
127.03893	6.1
129.06976	2.7
133.04964	100.0
133.06561	5.0
134.05286	1.5
145.04953	11.4
145.06509	2.2
150.07607	11.3
159.08069	2.5
161.04521	2.8
163.06036	2.3
171.08168	1.8
175.07524	1.7
193.05081	1.6
199.42273	1.2
205.08701	2.1
217.08623	2.6
223.05989	1.8
223.09589	7.7
235.09653	2.7
241.07112	3.3
253.10727	1.8
259.08142	4.0
277.09171	3.6
295.10181	2.8
397.79459	1.3
420.15598	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20394	1.2
53.03948	8.4
55.01868	20.8
55.05507	9.5
56.96555	2.1
57.03439	8.4
61.02923	6.1
63.26540	1.5
67.05506	14.2
68.99786	3.1
69.03072	2.6
69.03427	41.8
69.07067	15.9
69.77242	9.3
70.06588	25.8
71.04587	2.5
71.04988	49.9
72.08155	8.3
73.02933	8.3
74.06078	2.9
79.05487	13.0
80.21519	1.3
81.02971	2.9
81.03416	35.0
81.07043	13.4
82.06589	1.7
83.04969	4.5
83.08611	6.8
84.08131	6.2
85.02902	64.9
85.06544	9.0
86.09711	11.7
87.00822	25.1
87.04477	9.8
87.10033	1.6
87.62691	1.7
88.03975	1.6
91.03958	2.5
91.05473	9.3
93.07033	18.3
95.04954	10.1
95.08595	10.9
96.04540	2.0
97.02890	22.9
97.06531	79.4
97.10165	1.5
98.97560	2.8
99.04447	14.5
100.02177	3.4
105.01869	15.8
105.07019	4.7
107.01434	1.4
107.04942	3.7
107.08602	14.6
109.02878	27.7
109.06496	2.5
109.10155	15.3
111.04410	2.0
111.08059	5.3
112.02201	2.9
115.03944	3.1
117.01870	4.1
117.07043	1.3
119.04930	1.5
119.08542	1.5
120.08086	10.4
121.06510	3.9
127.03909	40.3
127.07554	2.3
129.01852	3.5
129.10240	3.4
131.08598	2.0
133.06450	1.9
133.10173	3.0
135.08099	2.0
135.11688	29.8
136.07567	2.3
137.05951	2.0
138.19925	1.4
141.12782	2.0
145.04980	12.1
146.06052	2.0
147.04387	3.1
147.11665	1.6
149.06026	1.8
149.13240	2.7
151.11220	2.1
153.12746	65.4
154.13069	1.5
155.14368	1.8
159.02896	16.2
159.11682	2.4
161.05908	2.3
161.09648	1.6
164.06990	1.5
167.07051	8.1
169.13411	3.2
171.10190	2.8
171.13799	100.0
171.97719	1.8
172.14145	4.1
175.07536	1.6
177.05510	2.3
177.12735	3.0
181.04907	2.3
195.13829	10.0
195.15382	2.1
209.08000	2.1
226.06963	1.5
229.07590	2.7
231.04999	6.6
231.09027	4.0
237.02824	1.5
237.14822	1.6
245.12845	2.6
261.14841	3.0
272.16080	2.7
315.08594	1.7
316.15598	2.9
330.11014	3.4
344.19617	1.7
383.16403	2.1
419.12753	7.6
419.18323	12.4
419.23218	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	12.0
55.01851	16.6
55.05497	13.2
57.03411	6.4
57.07056	19.0
61.02914	11.7
67.05486	14.5
69.03437	46.0
69.07055	17.9
70.06587	7.8
71.04998	37.7
73.02927	10.1
79.05470	16.4
81.03406	26.4
81.07063	38.6
83.08606	7.6
85.02491	7.3
85.02905	78.7
87.00841	41.1
87.96943	6.6
91.05475	34.5
93.07041	45.8
95.04978	10.5
95.08578	24.5
97.02904	34.3
97.06516	7.0
105.01861	43.8
105.07030	34.8
107.04943	28.9
107.08608	36.4
109.02859	21.9
109.06492	20.0
109.10157	14.4
115.03922	21.8
117.07005	18.9
119.08569	33.0
121.06483	14.3
121.10063	6.7
123.04429	13.5
123.08018	11.0
127.03945	36.4
127.82178	5.2
129.01859	8.9
129.07004	6.5
131.08549	14.3
133.06465	17.8
135.11707	30.7
137.05963	13.8
137.13223	12.0
143.08572	7.5
144.09053	5.9
145.04994	9.8
145.06410	6.8
145.10069	19.1
147.08037	21.8
147.11688	9.5
149.05922	14.0
149.09612	6.1
151.11171	9.9
153.09143	5.9
153.12727	100.0
155.08551	8.1
159.02864	13.8
159.08012	9.0
165.12756	22.8
167.07037	75.2
168.07350	18.2
169.07509	14.0
171.13760	10.4
173.05994	6.7
173.09572	22.1
173.13336	6.4
175.07466	8.0
177.00793	6.5
177.05469	16.3
177.12619	8.9
181.04916	13.8
189.09171	8.1
191.10687	14.0
193.08745	6.9
194.61610	5.4
201.03857	9.8
207.10199	8.1
207.13847	8.5
209.08104	15.7
219.46994	6.3
221.54820	6.4
227.09155	19.6
231.04999	12.9
243.13747	26.7
261.14804	16.0
347.14853	7.5
365.15997	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	419.191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09085	0.6
52.41934	0.7
53.03942	1.4
55.01867	4.5
55.05510	3.9
56.51339	0.6
56.96582	0.8
57.03415	1.2
57.07060	0.9
59.04980	1.6
61.02932	0.9
61.65827	0.7
65.03932	1.7
67.05497	2.7
69.03421	5.1
69.07048	2.8
69.30935	0.7
70.06584	2.0
71.04987	15.3
71.59869	1.6
72.08170	0.8
73.02911	0.9
73.06546	4.2
79.05488	7.7
81.03400	2.5
81.07052	23.7
84.04500	1.0
84.08137	0.9
85.02901	9.2
85.06520	1.2
85.47320	0.8
86.09705	1.2
87.00813	2.9
91.05462	5.4
93.07043	16.1
95.04948	2.8
95.08605	4.9
97.02887	2.7
97.06516	3.6
98.97643	0.8
99.04438	0.9
103.05462	1.9
105.01852	3.3
105.07044	3.6
107.04931	2.5
107.08585	13.1
109.02838	2.1
109.06516	0.8
109.10135	2.6
111.04444	0.7
111.08065	1.1
115.05465	1.2
116.98613	1.1
117.07063	1.2
119.04931	0.7
119.08562	1.6
121.06518	1.0
123.04408	2.7
125.05961	1.0
127.03896	4.4
131.04916	1.1
131.08577	1.3
133.06456	1.5
133.10156	1.3
135.04410	1.2
135.08214	0.9
135.11679	23.6
138.54384	0.7
139.03947	0.7
143.08524	1.5
144.05681	0.9
145.04941	1.0
145.06450	1.9
145.10118	1.6
147.08044	0.9
148.05136	1.0
149.05923	2.0
149.09598	0.8
151.03943	0.8
153.05449	1.5
153.12733	100.0
154.13054	2.0
159.07997	1.0
161.05968	2.9
163.07544	1.6
167.07047	11.6
168.07401	3.2
169.07523	2.7
173.05946	0.9
177.05443	3.4
181.04955	10.4
181.08607	0.8
183.06425	0.9
187.07516	1.1
187.11200	0.9
189.12608	0.9
191.07043	2.5
205.08549	1.2
209.08136	5.4
215.07112	1.0
231.04936	1.1
249.11205	2.6
309.08560	0.8
327.09619	1.1
334.92960	0.8
359.12482	2.6
369.13354	1.3
387.11472	1.0
401.16068	1.5
409.43622	0.9
419.16782	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
54.78892	2.2
55.01873	48.0
55.05499	5.2
56.96556	3.5
57.03425	4.5
57.07052	2.5
61.02927	4.7
65.03943	11.7
67.05498	8.9
68.99794	4.0
69.03423	20.9
69.07070	12.4
70.06581	6.8
71.04990	7.4
71.59679	4.0
72.08137	2.4
73.02946	3.1
79.05489	20.5
81.03403	13.2
81.07063	16.0
82.06568	5.0
83.04957	6.0
83.08601	4.6
84.04476	3.1
84.08143	6.0
84.86441	2.2
85.02899	42.1
85.06522	4.0
85.07637	3.7
86.03217	3.8
86.09698	7.3
87.00829	17.4
91.05481	17.3
93.07034	23.8
94.07372	2.4
95.04961	14.4
95.08602	12.8
97.02879	14.1
97.06533	26.0
99.04436	4.5
100.11249	6.7
103.05454	23.7
105.01860	20.1
105.03377	2.5
105.07037	18.7
107.04951	21.4
107.08586	30.9
108.08911	3.3
109.02879	12.5
109.06505	4.1
109.10167	18.2
110.03645	5.2
111.04421	5.3
114.09174	2.4
115.05447	10.1
116.06225	4.3
117.06985	6.2
118.04150	4.7
119.04921	3.4
119.08586	4.7
121.06493	5.6
123.04448	19.2
124.05217	6.1
124.07557	4.1
125.06001	7.3
127.03912	20.2
128.06209	3.7
129.05582	4.0
129.06990	10.2
130.04118	2.5
131.04933	16.4
131.08588	12.6
132.05676	3.0
133.02853	4.4
133.06497	17.4
134.06885	3.2
135.04419	2.9
135.08055	7.5
135.11699	33.5
136.07533	3.7
136.12044	2.7
137.05969	7.1
140.04683	4.7
141.07001	5.0
142.02693	2.4
143.08565	3.6
144.05664	8.7
145.04947	7.4
145.06485	10.1
146.04468	3.2
147.04413	6.6
147.08093	4.0
147.11673	4.5
148.05167	11.2
149.05943	10.5
151.03917	4.4
152.04720	3.0
152.05969	2.4
153.05463	5.4
153.12743	80.7
156.88004	2.4
157.06523	3.2
159.02902	4.3
159.04341	2.3
159.08072	15.9
160.05240	2.5
161.05928	15.9
163.03899	2.8
163.07523	22.0
165.05492	3.5
167.05615	5.4
167.07030	100.0
168.04271	3.4
168.07423	8.5
169.04997	2.6
171.06525	6.6
171.07933	2.7
171.13820	17.6
172.05174	4.1
173.05977	10.2
175.07536	9.4
176.04716	4.1
177.05455	38.6
181.04958	90.7
181.08446	6.0
182.05315	4.8
183.06519	13.9
187.07536	13.8
189.09094	4.4
191.07027	77.5
193.08586	10.9
200.10710	4.5
203.06905	2.5
204.07744	4.7
205.08551	16.6
206.07281	3.2
209.08072	62.3
210.14952	2.7
213.16077	2.9
215.07082	3.1
217.02490	2.6
217.06706	2.9
217.08646	8.9
217.13399	5.4
219.08131	7.1
219.10190	11.2
220.08705	2.9
221.08026	7.0
231.08115	4.6
231.10104	3.7
234.06676	2.7
235.07544	5.0
235.09700	6.0
245.12834	14.2
246.06578	4.3
247.07472	5.8
247.09682	7.2
248.08353	4.8
249.05502	2.8
249.09024	3.6
249.11235	44.5
250.06212	2.6
264.07767	7.1
265.08411	4.3
265.10925	4.8
276.07822	3.2
277.08743	5.6
279.10226	7.3
287.13931	14.6
291.10092	4.7
293.07870	6.1
294.08411	2.5
307.09650	14.2
315.08533	7.5
320.15024	4.1
323.09277	3.4
323.12750	4.1
330.10895	10.5
339.12314	5.3
347.77042	2.8
351.12415	5.3
369.13293	28.0
371.14795	4.9
383.14938	3.9
389.15723	9.8
401.11142	4.7
401.16006	48.1
419.18823	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79645	0.6
55.05506	3.6
57.07051	2.2
67.05487	2.1
69.03410	1.7
69.07064	8.0
69.33027	0.6
70.07396	0.7
70.78288	1.1
70.78659	1.1
71.08620	0.9
79.05483	3.1
80.06252	0.8
81.07052	9.1
82.07377	0.8
83.01335	1.0
83.08626	3.9
84.08907	0.6
91.05470	1.5
95.04951	1.4
95.08597	5.9
97.02875	1.0
97.10175	2.8
104.95773	0.7
107.04919	3.5
107.08570	0.7
108.05168	0.7
108.05749	6.4
109.06523	6.6
109.10150	4.2
110.07279	1.4
111.11700	1.1
121.06487	8.8
123.04440	3.3
123.11707	1.9
124.05265	1.0
125.05967	1.3
125.13226	0.7
131.08560	0.9
135.04472	0.7
135.08041	1.5
136.05185	22.2
136.93990	0.7
137.05971	77.2
137.13229	1.2
138.06786	23.6
149.05981	2.2
149.09628	4.5
150.06772	9.3
150.64186	0.6
151.07552	1.7
153.05458	8.7
154.05754	4.1
159.08093	2.4
161.05974	3.5
162.06732	0.8
163.07529	11.3
164.07892	2.5
175.07417	2.8
176.07823	0.7
177.09097	55.6
178.09459	2.6
179.18100	0.8
189.09108	0.8
191.10654	7.9
192.11139	2.7
198.79930	0.6
205.12204	0.8
209.56764	0.6
217.12131	1.0
218.57288	0.8
385.37170	0.6
392.01385	0.6
400.33243	9.3
418.34375	100.0
419.34695	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	418.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01625	0.5
51.02372	0.9
53.03952	4.4
54.05261	0.5
55.01885	3.2
55.05501	3.4
57.03450	0.6
61.02931	0.8
63.43824	0.5
65.03929	1.9
67.05492	1.8
68.99786	0.9
69.03430	4.3
69.07091	2.4
70.16248	1.8
70.16685	0.9
71.04996	0.5
73.02905	0.9
77.03905	1.0
78.50694	0.5
78.69546	0.5
79.05485	13.7
81.03411	5.2
81.07053	2.0
83.04997	0.9
85.02904	12.1
85.07461	0.5
87.00828	5.7
90.09655	0.5
91.05477	28.3
92.05816	0.6
93.07040	88.6
94.07375	1.6
95.04431	0.8
95.04974	8.5
95.08588	1.1
96.52166	0.5
97.02880	4.0
99.04449	3.2
105.01873	5.3
105.04515	1.4
105.07034	7.1
107.04934	1.4
107.08589	100.0
108.04464	1.2
108.08911	2.4
109.02886	5.0
109.06515	5.1
115.03802	0.6
117.01837	0.7
119.06077	1.1
121.10132	0.6
123.04401	0.7
127.03908	9.5
129.01828	0.6
130.30626	0.5
135.11688	30.1
136.11966	0.7
145.04980	4.8
145.06088	0.7
145.75021	0.5
147.02934	0.6
159.02876	4.3
167.07033	6.1
168.07315	2.5
173.05975	0.6
181.04909	2.7
182.05235	0.7
187.40596	0.5
191.07036	1.4
209.08035	0.6
229.35985	0.6
231.04991	1.9
279.57922	0.6
388.14694	1.0
391.74957	0.7
393.39972	0.5
418.15521	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	3.1
60.04507	1.5
62.43766	1.3
63.07848	1.4
69.03413	2.5
69.87759	7.3
70.06571	6.6
70.06915	1.6
70.35294	1.5
72.08140	6.3
74.06068	1.8
79.64602	1.6
81.03402	2.2
84.04508	2.4
84.08125	4.8
85.02901	3.0
86.09697	13.3
93.07061	1.6
97.02887	1.6
97.07659	1.9
103.05464	6.0
107.04921	3.0
108.08097	3.7
110.07130	4.5
111.09242	1.5
116.98660	2.1
120.08101	100.0
121.08443	2.4
124.07558	2.7
129.10199	3.0
130.04973	2.5
131.04884	2.0
135.04413	2.4
138.02696	1.4
140.07005	1.9
146.04286	1.4
147.07600	2.5
149.05933	1.7
152.07053	3.2
157.09583	1.7
163.03893	7.5
166.08626	54.0
187.14401	2.9
201.12431	1.7
222.04536	1.9
226.11739	2.7
234.99020	2.6
237.02811	2.5
418.12451	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	418.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67941	0.6
53.03938	2.1
55.01876	0.9
55.05518	0.7
57.03439	1.1
65.03937	1.8
67.05502	4.8
68.99814	0.7
69.03423	8.4
69.83838	3.6
70.06588	0.9
73.02909	1.3
79.05499	4.1
81.03418	5.8
81.05788	1.2
81.07055	1.5
84.04490	1.0
84.08133	3.5
85.02901	6.6
86.09699	1.2
87.00822	2.6
92.05026	3.1
93.05784	0.7
95.04978	1.5
96.08119	4.1
97.02900	3.7
99.04454	2.1
106.05963	0.4
106.06548	28.0
108.08112	100.0
109.02895	4.2
109.08447	2.0
109.28252	0.6
109.58990	0.6
119.06062	0.6
122.06031	0.6
123.06796	6.4
124.07585	29.4
125.07943	0.8
125.10870	0.6
127.03906	5.5
129.10268	1.5
134.04985	1.1
134.06012	16.1
135.06404	0.8
136.07571	17.3
145.05003	0.7
152.07060	89.3
153.07446	0.8
154.08556	1.1
163.03842	1.7
164.07111	1.5
170.08119	24.2
187.05992	1.7
194.08122	1.6
282.20413	0.6
284.88010	0.6
314.12405	2.3
332.13397	6.7
338.12283	2.6
356.13376	9.5
374.14444	17.0
382.11453	1.6
400.12354	14.2
418.13409	48.9
419.13834	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	418.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01625	0.5
51.02372	0.9
53.03952	4.4
54.05261	0.5
55.01885	3.2
55.05501	3.4
57.03450	0.6
61.02931	0.8
63.43824	0.5
65.03929	1.9
67.05492	1.8
68.99786	0.9
69.03430	4.3
69.07091	2.4
70.16248	1.8
70.16685	0.9
71.04996	0.5
73.02905	0.9
77.03905	1.0
78.50694	0.5
78.69546	0.5
79.05485	13.7
81.03411	5.2
81.07053	2.0
83.04997	0.9
85.02904	12.1
85.07461	0.5
87.00828	5.7
90.09655	0.5
91.05477	28.3
92.05816	0.6
93.07040	88.6
94.07375	1.6
95.04431	0.8
95.04974	8.5
95.08588	1.1
96.52166	0.5
97.02880	4.0
99.04449	3.2
105.01873	5.3
105.04515	1.4
105.07034	7.1
107.04934	1.4
107.08589	100.0
108.04464	1.2
108.08911	2.4
109.02886	5.0
109.06515	5.1
115.03802	0.6
117.01837	0.7
119.06077	1.1
121.10132	0.6
123.04401	0.7
127.03908	9.5
129.01828	0.6
130.30626	0.5
135.11688	30.1
136.11966	0.7
145.04980	4.8
145.06088	0.7
145.75021	0.5
147.02934	0.6
159.02876	4.3
167.07033	6.1
168.07315	2.5
173.05975	0.6
181.04909	2.7
182.05235	0.7
187.40596	0.5
191.07036	1.4
209.08035	0.6
229.35985	0.6
231.04991	1.9
279.57922	0.6
388.14694	1.0
391.74957	0.7
393.39972	0.5
418.15521	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	16.2
57.07060	10.6
67.01888	3.2
67.05490	6.8
69.03417	4.0
69.07066	23.2
69.48568	12.5
69.49002	8.3
71.08616	4.7
79.05487	10.4
81.07065	19.3
83.01296	5.2
83.08621	13.3
85.10211	3.2
87.57515	2.2
88.73914	2.5
88.77922	2.3
91.05473	4.1
93.07037	4.8
95.08607	16.4
97.02896	2.2
97.10183	11.3
100.15511	2.3
105.07031	4.2
107.04988	5.8
107.08580	5.9
109.06493	9.3
109.10117	10.4
111.11722	5.9
113.60126	2.2
117.06959	3.6
117.31665	2.3
119.08646	3.3
121.06484	14.5
121.10146	2.4
122.45652	2.3
123.11680	2.7
125.05961	8.3
135.04370	2.9
135.08046	8.3
137.05971	90.3
137.13284	2.8
149.05956	2.6
149.09607	5.6
151.07547	3.1
151.08893	2.5
153.05460	100.0
163.07541	64.0
163.08952	3.2
175.07541	15.3
177.09102	51.5
189.09109	8.1
191.10654	48.9
203.10645	8.4
205.12244	5.0
217.12163	2.8
245.96701	2.4
399.32501	6.6
417.28049	3.7
417.33432	11.0
432.60818	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.336
Annotation	5alpha,8alpha-Epidioxycholest-6-en-3beta-ol
Peak:m/z	Relative Intensity
52.10440	1.9
53.03945	2.1
55.05500	14.9
57.07058	4.3
59.04997	2.0
67.05503	17.9
69.07070	15.5
70.93877	3.7
79.05486	15.0
81.07053	38.3
83.04996	2.9
83.08616	9.6
85.06522	2.4
91.05479	10.7
93.07037	48.0
95.08605	88.6
97.06535	2.2
97.10172	5.2
98.98453	3.8
99.04462	6.4
99.08083	2.0
101.06011	5.3
105.07021	20.1
107.08595	57.8
109.06544	2.3
109.10152	49.7
117.07009	2.0
119.08572	29.9
121.10142	100.0
123.08098	2.9
123.11684	14.2
131.08566	5.9
133.10127	26.3
133.11658	1.9
135.08067	5.3
135.11696	66.9
137.13235	4.5
138.95729	1.8
145.10127	6.5
147.11688	29.8
148.12038	2.2
149.13255	19.9
151.11169	2.0
153.09044	3.3
155.01080	3.0
157.10124	2.4
159.11681	10.3
161.13245	10.5
163.11183	10.8
163.14844	13.3
165.16402	2.1
167.10603	2.6
171.11690	3.5
173.13268	5.3
173.92360	1.9
175.14833	4.5
177.09084	1.9
177.12759	15.0
177.16338	4.5
181.12273	15.2
187.14706	2.3
189.12718	2.9
189.16396	9.0
191.14301	5.2
191.17946	76.5
193.12288	5.6
193.15894	2.2
195.13788	21.2
203.17947	16.5
205.19516	6.4
207.13771	25.5
209.15289	9.4
217.19548	9.7
223.16858	3.0
235.17087	3.3
241.45876	1.9
261.18201	2.2
263.23822	2.4
303.23380	2.0
381.31729	4.8
399.32578	30.3
405.39557	1.7
417.33749	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	417.24
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.05511	12.6
57.03435	8.5
57.07066	5.7
65.33070	1.2
67.05502	47.5
68.72275	1.3
69.07061	11.7
69.19767	1.4
70.20653	5.9
71.08633	2.8
79.05489	15.8
81.07055	63.0
83.08610	7.1
85.06522	2.0
85.10204	1.7
85.12231	1.2
91.05476	11.5
93.07038	17.6
95.04955	2.8
95.08601	57.5
97.06535	4.8
97.10167	4.0
98.21472	1.8
98.98463	76.6
99.08075	2.1
105.06998	7.0
107.08594	10.5
109.10155	29.5
111.08108	2.8
111.11710	1.9
116.99519	2.9
119.08578	7.0
121.10152	11.8
123.08036	1.8
123.11711	12.7
125.09649	1.6
126.50003	1.1
131.80312	1.3
133.10103	10.0
135.11697	8.8
137.06003	3.2
137.13261	7.5
144.29486	1.4
147.11694	5.4
149.13214	7.4
151.14836	8.3
155.01035	100.0
161.13246	6.9
163.14803	6.7
165.16347	5.8
173.02234	1.6
174.45351	1.2
175.14816	5.9
177.16371	2.0
179.17946	1.3
189.16391	3.7
205.19537	1.7
207.17549	1.3
215.02306	1.3
222.28493	1.3
245.22656	24.9
263.23703	48.9
280.47891	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84493	0.3
53.03945	0.5
55.01861	0.4
55.05502	2.2
56.05031	4.4
56.96553	0.5
57.03434	0.6
58.06597	2.2
58.07415	0.3
60.04511	0.5
61.01130	0.5
61.02925	0.5
67.05492	1.6
69.03419	2.4
69.06716	0.6
69.07068	8.8
70.06593	11.2
71.04986	1.0
71.06949	0.5
71.59039	0.6
71.59417	0.5
72.08156	7.9
73.02946	0.4
73.04037	0.6
74.06081	9.9
75.05603	0.5
76.02243	0.3
79.05487	1.0
80.33546	0.3
81.03420	2.2
81.07049	1.6
83.04980	1.9
83.06087	0.5
84.04510	4.8
84.08144	3.2
85.02902	3.4
86.09705	100.0
87.00829	0.5
87.05602	0.6
87.10041	1.8
88.03989	0.6
89.96694	0.3
91.05480	2.6
93.07053	0.6
93.71145	0.3
95.04967	1.0
95.08575	0.5
96.08121	0.4
97.02882	1.3
97.06544	0.7
98.06059	0.5
98.09696	0.9
98.97565	0.9
99.04473	0.9
101.07143	10.3
102.00429	0.3
102.05534	1.6
104.05341	1.3
105.01862	0.5
105.07047	0.6
106.06514	0.3
107.04965	1.0
107.08593	0.6
109.02877	1.2
109.06503	0.6
109.10220	0.4
110.07162	1.2
110.09651	0.6
112.08675	0.5
115.05357	0.3
115.08683	0.9
116.07092	1.6
116.98640	0.8
119.04951	0.6
120.08134	1.0
121.06469	0.4
122.06013	0.5
123.04404	0.6
124.03993	0.5
124.11229	1.5
126.09166	0.8
126.12785	0.7
127.03891	1.8
127.08687	0.4
129.10255	2.2
131.08549	0.4
132.10257	0.7
133.10083	0.5
135.83879	0.3
136.07603	0.9
142.12250	4.4
142.13086	0.4
143.11789	6.7
145.04987	0.5
146.06326	0.8
147.04436	0.8
147.07979	0.5
149.05994	0.4
151.03905	0.4
151.11179	2.3
152.10616	0.5
156.05728	0.9
159.02962	0.4
159.07785	0.5
161.01126	0.4
161.05879	0.4
162.07715	0.4
163.03854	0.6
166.04912	0.4
167.07059	2.4
169.13454	0.5
171.11275	3.5
173.05983	0.8
173.12938	0.4
175.07602	0.6
175.09067	0.4
175.10820	0.5
178.03215	0.4
181.04932	0.7
183.11298	0.5
187.07272	0.8
187.14417	39.6
188.14841	1.0
189.12405	0.9
197.05978	0.4
199.18045	0.5
201.08765	0.4
201.12352	1.0
203.08542	0.5
203.13908	20.4
215.07117	0.4
215.13911	20.3
216.14137	0.5
217.08641	1.9
223.07532	0.4
227.17560	0.6
229.08635	0.5
229.11848	0.6
229.15520	1.2
231.17065	0.6
233.08058	0.9
237.02844	0.6
239.17696	0.4
242.12892	0.3
247.07683	0.4
247.13051	2.3
256.06439	0.6
270.66959	0.4
271.07687	0.4
284.19751	1.1
293.08151	0.5
304.15039	0.8
317.08469	0.4
328.22220	1.9
329.10364	0.6
339.12280	0.7
399.14673	0.4
400.14392	0.5
417.15958	1.0
417.21021	4.4
418.16772	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52609	0.4
55.05510	2.8
55.55003	0.4
56.05037	1.8
56.42877	0.4
56.96566	1.1
57.03430	0.6
57.05809	0.7
59.34140	0.4
60.04498	1.1
61.01147	0.4
66.24665	0.4
67.05493	0.5
69.03424	1.5
69.07070	7.8
70.06593	6.4
70.83990	0.9
70.84364	0.9
72.08157	32.9
74.06075	1.3
75.05600	1.0
79.05503	1.0
79.75738	0.4
80.09241	0.3
81.03426	1.6
81.07063	0.6
82.06580	1.6
83.04988	0.8
83.06115	0.5
84.04510	3.4
84.08129	2.9
85.02899	2.4
86.09707	100.0
87.05614	0.5
87.10001	0.9
88.03989	3.2
91.05477	0.9
95.04942	0.9
95.08607	0.7
96.08144	0.6
97.02890	1.4
98.02392	1.0
98.97597	1.1
99.04483	0.6
102.05553	1.4
107.04906	0.5
109.02895	1.0
110.06090	0.6
110.07172	0.9
116.07118	1.8
116.98614	0.8
119.04973	0.5
120.08084	1.1
123.04457	0.7
124.07610	1.3
125.05995	0.8
127.03919	1.0
127.08695	4.3
128.07036	0.9
128.98605	0.5
129.10265	1.8
130.05000	0.9
135.04465	0.7
136.07576	0.8
141.06976	0.4
141.10297	0.6
142.08633	6.8
143.11784	3.6
145.02866	0.4
146.04504	1.1
146.99695	0.9
147.04486	0.6
148.06070	2.7
157.09723	1.3
159.07954	0.5
163.03922	1.6
167.07060	1.4
169.08569	1.7
169.09773	1.6
170.08122	0.8
171.07672	0.5
171.11308	1.8
171.14940	1.3
173.12921	0.7
175.10760	0.7
177.00648	0.7
181.04945	0.9
182.08153	0.4
185.16487	1.0
187.10780	25.0
188.06882	0.4
189.12418	0.9
199.14429	1.1
199.18108	0.9
201.12361	1.8
202.59474	0.4
203.13913	18.5
209.04523	1.3
215.10280	19.1
215.13754	1.0
219.01770	1.0
219.13470	1.6
223.02437	0.8
225.15930	0.8
229.11876	1.3
229.15526	1.2
233.08049	0.8
237.02666	2.7
243.13272	0.6
247.12929	1.3
255.04027	0.5
261.14450	2.7
270.18188	1.9
282.18173	0.5
283.16599	0.8
284.16125	0.6
318.16745	0.6
328.18600	2.1
371.06375	2.0
389.03214	1.1
399.09155	1.0
417.14194	4.6
417.20139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.05500	0.3
56.96569	1.0
65.03911	0.3
67.05495	0.4
69.03425	0.7
69.07037	0.3
70.06580	0.4
70.88377	0.3
70.88713	0.5
71.04978	0.4
73.02888	0.2
78.04695	0.3
79.05485	1.0
81.03419	0.4
81.07053	0.7
82.72318	0.2
84.08119	0.3
85.02901	1.1
87.00820	0.3
91.05475	2.3
93.07023	0.6
95.04963	0.5
95.08606	0.3
97.02888	0.6
98.97580	0.9
99.04491	0.3
100.11240	0.3
103.05419	0.5
105.01850	0.6
105.07031	7.6
107.04950	0.9
107.08575	0.3
109.02882	0.5
109.06479	0.3
115.04007	0.2
115.05431	0.6
116.98618	0.8
117.07012	1.4
118.07772	0.6
119.08536	0.3
119.23702	0.2
121.06558	0.2
123.04427	0.8
124.05215	0.5
127.03902	0.8
129.06967	0.2
131.04906	0.3
131.08569	1.8
133.10123	100.0
134.10446	1.3
134.99693	0.3
135.04410	0.2
145.04974	0.7
145.06467	1.2
146.99609	0.3
152.54765	0.3
155.06015	0.3
158.99649	0.4
161.05989	0.4
163.07578	0.4
167.07028	12.7
170.63853	0.2
173.05966	1.7
177.00673	0.2
181.04951	4.4
188.46579	0.2
191.07025	0.8
205.08623	0.5
208.87869	0.3
210.14767	0.2
211.15558	0.2
217.08739	0.3
231.05049	0.6
233.08089	0.7
235.09731	0.6
253.11119	1.1
254.11414	1.6
260.12515	0.5
271.12234	0.7
272.12463	1.5
304.04181	0.2
330.13000	0.3
387.14432	1.2
416.16782	4.4
417.10776	0.3
417.15561	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	417.1547
Annotation	Comazaphilone E
Peak:m/z	Relative Intensity
53.03936	0.6
55.01876	0.6
55.05487	0.4
56.96515	0.3
57.03450	0.3
60.45667	0.3
61.71186	0.2
65.03924	1.4
67.05480	0.7
69.03407	0.8
69.07059	0.5
70.06580	0.7
71.14933	0.5
71.15262	0.3
72.08125	0.5
78.04714	2.3
79.05503	2.1
81.03405	0.8
81.07046	0.9
82.04176	0.7
83.04994	0.3
84.08126	0.3
85.02899	1.2
85.88990	0.3
86.09693	1.2
91.05472	1.4
93.03422	0.5
93.07021	0.5
95.04981	1.6
95.08599	0.3
96.05729	0.3
97.02856	0.6
97.06516	0.8
99.04477	0.3
99.57925	0.3
103.05462	1.4
105.01823	0.3
105.03400	0.3
105.07008	0.6
106.04202	1.2
107.04945	2.2
107.08591	0.4
109.02866	0.4
109.10128	0.4
110.03647	0.9
111.04459	0.6
111.08157	0.3
115.05443	3.3
116.06215	0.3
117.07021	5.8
119.08578	0.3
120.08089	0.3
122.03680	0.3
123.04427	7.7
124.05227	2.8
125.05981	0.6
125.91084	0.3
127.03925	0.5
127.05429	1.0
128.06171	0.4
129.06963	0.3
131.04967	0.8
132.05643	0.3
133.06543	0.4
134.03569	0.4
135.04428	0.5
137.06029	0.7
138.03125	0.6
142.02647	0.3
144.05679	0.4
145.06487	10.0
145.10191	0.3
146.06923	0.2
147.04404	0.4
147.08057	0.7
148.05244	0.3
149.06027	0.4
151.03897	1.6
152.04704	2.7
155.06024	2.4
156.05688	0.4
161.05952	0.5
163.07530	0.3
167.07042	100.0
168.04160	0.3
168.07362	1.8
171.06631	1.5
171.07800	0.3
173.05983	15.0
174.06430	0.4
175.07584	0.6
179.07011	0.3
181.04961	23.1
182.05293	0.3
183.08041	0.3
190.06174	0.3
191.07054	1.0
193.08562	0.4
195.06525	0.3
201.05527	0.7
203.06941	0.4
204.02951	0.3
205.08611	2.7
207.10069	0.3
216.17212	0.3
217.08617	2.1
222.03955	0.6
233.05786	0.6
233.08090	8.4
235.09634	4.5
263.06894	0.4
264.07809	0.3
279.10370	0.3
291.57736	0.4
302.77386	0.3
307.09601	0.6
317.09866	0.4
323.09109	0.3
325.11050	0.3
329.10254	0.7
355.11771	0.3
357.10669	0.3
373.14282	0.4
385.10059	0.6
387.14383	13.3
388.14700	0.6
395.30234	0.3
399.14502	0.6
417.15494	25.4
417.20743	1.2
418.15952	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.05498	0.6
56.96552	1.0
65.03970	0.4
67.05487	0.9
68.63527	0.3
69.03420	0.7
69.07057	0.7
69.53198	2.3
70.06612	0.4
70.84673	0.3
79.05484	1.7
81.03421	0.9
81.07048	1.0
83.04967	0.3
84.08131	0.4
84.96022	0.7
85.02917	1.6
91.05471	3.4
93.07014	1.6
95.04942	0.7
95.08595	0.8
97.02873	0.5
98.20710	0.5
98.97562	0.9
99.04467	0.4
100.11269	0.6
103.05480	0.5
105.07025	13.4
107.04945	1.2
107.08573	0.8
109.02872	0.6
111.04433	0.5
114.09165	0.6
115.05428	0.5
115.76487	0.3
116.98537	0.7
117.07007	1.5
118.07813	1.1
119.08555	0.5
119.29723	0.4
121.10125	0.3
123.04420	0.8
125.05966	0.5
127.03899	0.9
128.98586	0.3
131.04932	0.8
131.08580	1.6
133.10123	100.0
134.10445	1.2
134.99635	0.6
137.05931	0.5
142.79846	0.4
145.06494	1.2
146.99670	0.6
147.11673	0.4
161.01204	0.5
161.40990	0.4
163.07571	0.4
167.07040	13.0
173.05951	1.6
177.00737	0.4
181.04942	4.8
191.07050	0.7
203.16304	0.3
220.02103	0.4
233.08046	0.9
235.09494	0.6
237.02806	0.8
279.03821	0.3
315.26498	0.4
361.34900	0.3
374.15741	1.1
375.16052	0.4
387.14371	1.7
392.16812	1.7
416.16693	0.7
416.24133	0.9
417.15610	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	416.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.5
53.51571	3.1
55.01854	6.0
55.05507	7.4
56.96549	5.0
60.04519	8.4
65.03957	6.7
69.03439	17.8
70.06602	15.5
71.05001	4.3
71.13869	7.4
72.08154	22.9
73.02918	5.1
79.05489	19.2
81.03421	21.2
81.07047	9.0
82.03757	2.9
84.08135	17.7
85.02911	38.3
86.09702	37.6
87.00826	12.3
87.05624	3.4
88.62908	3.2
91.05479	95.7
93.07066	3.9
94.06550	4.5
95.04972	10.5
97.02900	12.8
98.97633	3.2
99.04449	3.2
105.01865	12.0
105.07040	17.7
106.06547	6.1
107.04949	70.9
107.08549	3.3
109.02883	17.2
109.06507	7.8
110.07168	4.1
115.05474	4.6
117.05766	6.8
117.07013	5.3
119.04899	3.8
120.08102	40.8
121.02871	4.9
121.06514	6.8
122.09666	7.7
123.04439	7.4
127.03918	29.8
128.04250	3.5
129.10220	24.6
132.08092	84.3
133.06497	18.2
134.99655	3.3
143.11784	4.9
145.04944	8.9
145.06470	9.5
147.04419	10.6
149.01083	3.0
149.05974	10.0
150.06352	7.2
150.09149	73.6
159.02826	7.0
165.01820	9.0
167.07031	100.0
168.07393	31.2
168.10225	11.3
173.05997	9.5
177.01854	6.5
181.04994	17.6
183.02957	9.2
191.03470	11.0
207.06401	3.3
217.08701	5.1
219.02885	20.2
231.02844	10.2
233.08078	7.7
238.07790	5.4
261.03809	6.5
285.07593	12.1
297.07471	11.2
339.08640	17.8
341.12857	3.5
351.08661	7.5
363.08640	4.9
387.14172	9.2
416.15335	9.8
416.19815	10.4
417.15463	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
53.76490	0.2
55.01854	0.4
55.05501	0.5
57.03437	0.3
61.02920	0.4
65.03928	0.2
67.05501	0.2
69.03419	2.1
70.06571	0.2
71.04990	0.4
71.11067	0.3
71.11417	0.4
77.03910	0.3
79.05482	0.7
81.03405	1.4
81.07027	0.4
82.06540	0.2
85.02895	5.4
87.00828	1.8
91.05472	1.5
93.07046	0.7
95.04958	0.4
95.08579	0.3
97.02882	1.7
99.04453	0.6
100.11244	0.3
103.05431	0.4
105.01859	2.8
105.07024	6.2
107.04937	0.8
107.08589	0.5
108.04475	0.5
109.02870	1.5
109.76937	0.2
115.05451	0.7
117.01862	0.2
117.07008	0.9
118.07792	0.5
119.08607	0.4
123.04414	0.4
123.11684	0.3
124.05198	0.3
127.03899	3.3
129.01863	0.2
129.07066	0.3
131.08572	2.6
133.10117	100.0
134.10413	1.0
137.06059	0.3
145.04948	1.4
145.06482	0.3
147.04352	0.3
147.11679	0.7
150.12708	0.3
159.02893	0.9
163.03902	0.4
167.07019	4.8
167.08406	0.3
171.11626	0.4
173.06010	0.5
175.11162	0.7
181.04950	1.3
189.03978	0.3
191.07077	0.2
213.12784	0.2
217.12199	0.3
231.04941	1.1
241.12244	0.7
248.07739	0.4
257.12881	0.3
259.13318	0.5
269.24731	0.2
286.07355	0.2
364.72198	0.3
387.14380	0.4
417.15414	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3207
Annotation	14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione
Peak:m/z	Relative Intensity
54.06289	2.6
55.01867	3.2
55.05511	11.0
57.07072	5.6
59.04999	5.0
67.05492	14.5
69.07068	9.8
69.99710	16.1
79.05502	13.4
81.07065	31.9
83.05025	3.7
83.08645	4.1
85.06561	3.3
89.06042	5.5
91.05461	15.0
93.07049	48.8
95.08612	55.4
98.20748	3.5
99.04473	5.8
101.06022	7.3
105.07030	34.6
107.08590	65.9
109.10157	42.8
110.56702	2.9
117.07041	6.1
119.08574	35.0
121.06531	4.5
121.10141	43.3
123.11735	6.0
131.08577	12.9
133.10143	50.2
135.10674	7.4
135.11682	100.0
135.12694	5.8
141.42874	3.0
143.08679	3.8
145.10103	25.0
147.11691	32.6
149.13284	18.1
157.10216	2.8
159.11676	29.4
161.13263	19.9
163.11235	10.0
163.14925	3.5
170.50099	2.7
173.13287	12.3
175.14825	8.5
177.12746	28.4
179.59674	2.8
181.12259	12.6
187.14821	13.5
189.16440	13.0
193.12251	8.9
195.13797	60.8
201.16412	26.9
203.14369	3.4
203.17943	21.9
207.13820	19.7
209.15379	10.0
215.17949	8.0
219.17526	9.5
221.15491	3.7
293.15793	2.9
302.16064	3.1
313.07349	3.3
321.30420	2.9
361.28748	4.6
379.30124	7.2
397.30957	41.8
415.15567	15.5
415.28055	10.8
415.32843	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
55.05506	1.3
56.96559	20.3
57.03426	1.6
59.38206	0.6
65.03924	0.8
67.05495	3.0
67.10464	0.6
69.03427	4.0
69.07065	2.4
71.04983	0.8
71.59039	0.8
71.59417	0.8
71.95253	1.0
72.85227	0.6
73.02925	0.8
74.97609	1.0
79.05477	3.8
81.03400	4.2
81.07068	5.3
83.08600	1.0
84.08126	0.9
84.96024	2.3
85.02897	6.8
87.00822	2.5
87.65812	0.7
91.05476	4.3
93.07041	5.1
95.04965	2.0
95.08603	4.9
97.02871	2.6
97.06547	1.3
98.97578	20.3
99.04424	1.9
102.97087	1.3
105.01842	1.9
105.07016	5.0
107.04939	2.3
107.08595	11.8
109.02875	2.2
109.06532	2.2
109.10152	3.8
110.97581	2.9
111.04419	1.2
111.08081	1.3
112.99114	0.9
116.98610	17.9
117.06986	1.9
119.08589	4.2
121.06471	1.5
121.10132	5.9
123.04424	4.0
123.08088	1.6
123.11734	1.5
127.03899	3.2
128.98602	5.4
129.06982	0.8
130.44870	0.7
131.00159	1.7
131.08545	2.5
133.10132	7.1
134.99646	11.1
135.08064	1.1
135.11691	1.5
137.06006	3.4
140.00122	1.2
140.98627	1.0
143.00171	0.9
143.08586	0.7
145.06435	0.8
145.10141	2.1
146.99623	5.4
147.02013	0.8
147.08131	1.4
147.11690	1.8
149.01227	1.3
149.09489	1.1
149.13239	4.8
153.00665	1.1
157.10127	1.4
158.99651	4.3
159.11700	2.0
161.01216	2.8
161.13312	2.1
162.99118	2.2
165.00713	1.3
167.07033	4.3
167.14355	2.1
170.99640	2.1
171.11624	1.3
173.13260	1.2
177.00714	6.3
179.14333	1.2
181.04895	3.4
189.00705	2.0
195.01743	1.4
199.11148	0.9
201.00742	0.7
219.01718	4.5
223.47368	0.8
227.09613	2.3
229.15778	0.9
233.08031	1.3
235.09972	5.4
237.02786	11.9
241.11095	8.5
245.10522	1.6
253.11089	61.3
254.11559	1.6
257.15436	2.3
259.12180	11.7
260.04431	0.7
269.10672	1.3
271.12158	40.6
275.16376	3.5
276.12784	3.4
289.13394	1.1
294.13736	2.3
295.12143	5.6
313.13214	2.9
329.12662	12.3
347.13773	26.0
348.14243	1.0
361.16241	1.2
370.15527	1.4
371.13513	4.6
389.14764	2.6
397.12857	0.9
397.18237	1.1
415.16400	100.0
416.16602	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	415.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.6
55.01858	2.1
55.05491	0.5
56.96560	1.2
57.03428	1.9
59.58879	0.5
61.02910	1.3
67.05496	1.0
68.99786	1.7
69.03426	8.0
69.07069	0.7
69.57483	4.2
70.06593	5.1
71.04988	1.5
72.08160	1.0
73.02899	1.6
79.05472	1.7
80.23265	0.5
81.03425	8.3
81.07048	2.2
83.04955	0.5
84.08134	1.0
85.02904	21.3
85.06509	0.5
86.09697	2.0
87.00830	5.5
91.05464	2.5
93.07051	3.1
95.04943	1.5
95.08602	0.8
97.02902	7.8
97.06530	0.7
98.21484	0.8
98.97587	1.0
99.04455	4.3
101.00900	0.5
103.05447	0.9
105.01867	5.0
105.07027	1.7
107.04987	1.3
107.08587	2.9
108.08919	0.6
109.02880	9.0
109.06512	0.9
109.10120	0.6
110.06120	0.5
110.07147	0.8
116.98660	0.9
117.01812	0.7
119.01907	1.1
120.08086	0.5
121.06493	6.7
121.10156	1.0
122.83775	0.5
125.05997	9.8
127.03918	18.0
129.01804	1.0
129.10233	0.7
131.08517	0.6
133.10152	0.9
135.11693	1.2
137.05995	0.8
143.01903	1.4
145.04964	7.4
147.02875	1.2
147.11671	0.6
149.05986	25.3
149.09647	1.1
151.03821	0.9
159.02902	6.9
161.02953	2.4
167.07042	100.0
168.07442	1.2
181.04863	0.8
188.07060	0.6
191.07037	2.4
203.04042	0.7
209.08031	1.6
213.04042	0.7
220.03613	0.7
231.04956	2.9
233.08075	1.3
235.11777	0.9
237.02657	0.7
243.17039	2.1
253.07108	2.2
253.12831	1.4
257.08197	0.9
371.16827	1.5
415.15204	2.9
415.20148	7.7
427.16220	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.9
55.05491	1.2
57.03406	1.5
67.05483	2.7
69.03402	4.2
69.07044	2.7
70.06593	9.2
70.09501	1.2
70.48888	2.2
70.49243	2.5
71.04977	1.4
72.08134	2.7
73.02885	1.5
79.05504	5.3
81.03414	6.1
81.07026	4.5
83.04952	2.1
84.08132	2.4
85.02493	1.0
85.02903	10.7
86.09702	10.3
87.00798	2.4
91.05452	3.6
92.25092	0.8
93.07035	5.2
95.04931	2.2
95.08595	2.8
97.02889	5.4
97.06501	1.0
98.21348	1.4
98.97591	1.3
99.04436	2.7
101.80286	1.1
103.05480	1.4
105.01846	3.6
105.06992	3.1
107.04967	5.0
107.08600	6.7
109.02824	3.6
109.06483	1.4
110.03629	0.9
115.03895	1.2
115.05453	1.4
117.07004	2.3
119.08537	2.9
121.08385	1.4
121.10093	4.2
123.04408	1.7
123.08025	1.1
123.11629	1.3
125.05980	1.3
125.07090	3.6
127.03902	7.3
129.10172	1.1
131.08510	1.6
133.05020	1.0
133.06410	1.2
133.10110	1.3
137.05949	1.7
145.04877	2.4
145.06398	1.7
145.10068	2.8
147.04398	7.7
147.11636	1.1
149.07866	1.5
153.01817	2.5
159.02837	1.4
159.11533	1.0
161.01096	1.2
161.05905	3.8
165.12791	1.0
167.07048	7.8
167.10545	4.9
167.11784	6.1
173.09576	3.5
175.03864	1.3
177.00598	1.2
181.04965	5.3
190.12212	4.3
191.06921	1.1
195.06502	2.3
202.12328	1.2
207.06497	1.5
216.13741	1.2
221.04379	1.2
226.12088	1.0
227.11603	1.1
231.04823	1.4
233.07957	1.5
235.57440	1.0
241.61287	0.9
244.13254	2.1
253.09592	2.8
253.14001	1.4
261.07614	1.1
267.39023	1.1
302.14966	1.4
309.11063	1.3
317.11365	1.3
317.14908	15.2
329.15768	10.5
371.07336	1.7
371.16748	37.1
372.17004	1.6
397.17471	1.5
415.15454	100.0
415.26804	4.3
416.15771	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	415.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03157	4.5
55.86800	5.4
58.08218	4.3
66.81075	5.8
69.62079	38.7
70.06577	5.4
77.85191	4.9
82.77763	4.8
90.50455	7.4
113.37424	4.9
120.47754	4.9
177.99466	5.6
181.80873	5.5
183.01631	14.5
184.00058	12.4
210.01622	30.5
219.11450	4.6
224.14763	4.7
281.05292	21.6
297.08481	10.3
299.06439	63.6
300.04965	6.8
311.06485	7.2
335.09814	6.3
341.07385	22.4
357.34671	6.2
397.09894	18.5
415.10919	100.0
416.09995	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	415.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
54.03474	0.7
55.01854	2.7
55.05487	0.8
57.03426	1.9
59.04995	0.8
61.02916	1.4
62.03734	0.6
67.05489	1.0
68.30598	0.6
68.99767	2.1
69.03431	9.5
69.27654	1.6
69.28059	6.0
70.06595	7.0
71.04989	1.8
72.08148	4.9
73.02909	2.4
79.05481	3.2
81.02986	0.8
81.03417	9.7
81.07037	2.7
82.46349	0.6
83.04948	0.8
84.08157	4.4
85.02904	22.3
86.09702	6.4
87.00826	7.2
88.03951	0.8
89.65015	0.8
91.05474	13.4
93.07029	2.2
95.04964	2.0
95.08601	1.5
97.02881	10.0
97.06507	1.0
98.20740	0.9
98.97578	1.6
99.04445	4.0
103.05454	1.1
105.01878	5.6
105.07027	2.4
107.04961	6.9
107.08564	1.8
109.02885	8.8
109.06477	1.2
109.10088	0.7
110.07165	0.9
116.98634	1.3
117.01828	1.3
119.04929	1.0
119.08556	1.0
120.08075	2.2
121.06512	7.2
121.10146	1.2
125.05988	10.5
127.03912	17.9
129.01857	0.9
129.10242	4.2
132.08081	4.0
136.07539	1.0
139.28554	0.7
141.05612	0.7
141.06892	0.7
145.04945	5.1
145.10175	0.7
147.02852	1.1
147.04330	1.0
148.07605	1.2
149.05978	25.6
149.09601	1.5
150.09129	3.4
159.02896	5.0
161.06013	1.1
163.07458	1.1
167.07036	100.0
168.07425	1.1
181.05034	1.4
191.07085	2.3
195.06487	1.2
207.04474	0.7
207.06578	1.3
209.08130	1.2
217.08572	0.7
219.01688	0.9
231.05000	2.9
233.08051	1.5
235.13382	1.0
235.16927	1.0
237.02872	1.0
256.99609	1.4
275.08969	0.9
280.86307	0.7
329.03345	1.2
371.16632	1.9
387.13208	0.9
401.60568	0.8
415.15396	2.4
415.19772	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	414.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86911	1.8
55.05508	8.1
56.05027	8.4
60.04524	4.1
60.24555	2.1
65.03934	9.0
67.05502	20.2
69.03428	16.2
70.06589	10.0
71.34897	4.5
79.05478	4.0
81.03391	2.8
83.04977	51.2
84.04503	38.1
84.08144	3.0
85.02891	14.2
86.09709	13.9
87.00861	2.3
89.03925	3.3
93.03400	19.6
94.06580	2.7
95.04961	18.4
97.02877	2.3
100.03973	4.0
102.05537	7.9
103.05462	8.5
105.03430	3.0
105.07038	7.1
106.06541	2.8
107.04950	13.0
109.02871	3.4
110.06025	3.4
110.07140	3.1
111.04430	67.9
113.02447	2.8
115.05457	5.7
117.03384	5.8
119.04937	4.7
120.08120	9.0
121.02861	9.2
121.06489	9.9
123.04418	57.3
124.07584	2.4
126.05504	3.2
129.05481	27.1
130.06564	3.7
131.04897	14.1
131.29509	2.1
131.30464	2.2
132.04451	3.9
132.08095	6.8
133.02855	18.7
133.06528	6.5
134.05992	5.0
135.04419	23.9
136.06194	8.9
136.07584	2.8
137.05865	2.6
138.05510	2.6
138.09132	2.7
139.03902	27.7
143.04919	8.9
145.02887	6.7
146.06105	2.0
147.04385	3.0
148.05121	2.9
148.07559	20.0
149.02319	8.1
149.05960	21.1
150.05461	14.8
150.09119	3.4
151.03905	17.2
151.07581	2.2
152.07091	9.3
153.05479	2.8
157.04945	21.4
158.06023	14.3
159.04395	12.0
160.03865	2.9
160.07568	2.9
161.02373	4.7
161.05948	14.3
162.04126	5.0
162.05533	15.6
163.03888	69.3
164.07076	10.3
165.07863	28.7
166.04958	4.4
166.08656	13.5
167.03352	2.5
175.06004	12.3
176.07047	64.4
176.08507	4.2
177.01889	4.1
177.05452	27.7
178.04988	10.5
178.08617	15.0
179.03394	22.7
179.07051	4.3
180.06630	8.7
181.04956	5.7
186.05508	17.0
187.03947	10.0
187.05661	2.1
194.04466	5.7
194.08168	21.4
195.06604	3.3
196.06010	3.0
197.04524	3.7
204.06541	100.0
205.01291	4.7
205.05006	24.7
205.06766	4.3
220.05992	4.3
222.04337	3.3
222.07628	82.3
223.02466	5.6
223.05998	20.9
226.11861	2.9
240.05069	3.1
240.08640	18.5
276.10779	10.4
281.09946	2.6
282.10199	5.9
350.12329	5.1
353.08633	19.3
368.13507	4.1
396.12875	54.0
397.11191	12.6
414.14130	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20502	2.9
50.54029	2.5
50.69600	2.4
55.01852	2.5
55.05503	7.2
56.05020	6.4
60.04527	5.2
65.03928	8.5
67.05506	12.8
69.03428	6.9
70.94132	2.4
71.16587	3.2
71.16918	3.4
74.06114	2.8
76.91279	2.3
78.18058	2.3
79.05498	4.1
81.03387	2.5
82.51132	2.9
83.04983	33.8
84.04506	36.0
85.02904	6.7
89.03858	3.4
91.05475	4.4
93.03384	7.2
94.06606	3.2
95.04967	46.0
98.06068	2.9
100.03974	3.9
102.05511	4.1
103.05462	9.7
105.03370	5.2
105.07033	3.8
107.04935	8.1
109.02837	5.3
111.04440	38.8
115.05466	6.7
120.08128	6.3
121.02859	7.9
121.06509	3.5
122.06033	3.2
123.04428	100.0
126.05559	2.9
128.31218	2.5
129.05482	17.1
130.06567	3.4
131.04910	15.5
132.04440	3.3
132.08069	4.9
133.02847	13.1
133.06424	4.8
134.06024	4.8
135.04401	15.3
138.05502	3.9
139.03911	20.9
143.04921	9.9
147.04332	2.6
148.07588	16.4
149.02316	5.0
149.06021	13.0
150.05528	15.3
151.03906	10.4
152.07079	7.7
153.05534	4.0
157.04958	15.1
158.06020	11.8
159.04433	9.4
160.07559	4.0
161.02283	3.8
161.05984	18.1
162.05493	11.2
163.03902	49.1
164.07063	6.9
165.07843	26.9
166.04970	4.8
166.08646	10.0
170.87502	2.5
175.05936	5.0
176.07060	51.4
176.08534	4.8
177.05518	19.0
178.04993	4.7
178.08595	18.9
179.03381	16.7
180.06525	6.0
181.04892	5.1
186.05464	14.0
187.03882	8.3
189.04213	3.6
192.06570	2.8
194.04556	5.1
194.08144	27.5
196.05971	3.5
204.06554	84.9
205.01324	4.4
205.04977	16.4
222.07607	73.1
223.06058	13.9
240.08626	16.0
276.10730	4.8
296.41309	2.9
325.09045	9.5
353.08612	10.0
396.12894	37.1
397.11203	11.3
414.14133	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	413.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01869	1.9
55.05511	48.7
57.03435	23.6
57.07074	52.8
59.90540	0.9
67.05123	1.1
67.05501	22.6
69.07066	70.7
69.43921	4.7
69.44344	3.9
70.07404	1.0
71.04985	2.6
71.08627	34.8
73.06556	1.5
75.04478	2.1
79.05489	8.6
81.03384	1.3
81.07050	32.7
82.07361	1.3
83.04975	3.8
83.08617	43.3
83.09113	2.2
84.40446	1.0
84.62232	1.1
85.06532	2.3
85.10181	19.2
91.05475	1.8
93.07023	13.9
95.04985	1.2
95.08603	27.7
97.06535	8.7
97.10165	29.8
98.20776	1.8
99.11723	1.9
99.90662	1.1
101.06014	2.1
105.07005	1.1
107.08589	11.2
109.10157	12.7
111.08076	7.4
111.11729	9.2
113.09660	1.3
115.07574	3.1
121.10127	12.5
123.11705	7.2
125.09618	7.1
125.13264	3.2
129.09111	2.3
135.11714	10.6
137.13234	2.3
139.11139	7.3
139.14771	1.6
143.10657	1.5
149.13264	7.9
151.14868	1.5
153.12718	6.9
157.12274	1.0
163.14801	5.3
167.14275	4.2
171.13802	2.5
177.16385	3.6
181.15860	3.4
185.15350	1.3
191.17957	2.1
195.17368	2.5
205.19475	1.9
209.19029	2.8
219.21181	1.0
223.20616	1.9
233.22621	2.2
237.22134	2.2
255.23364	1.4
303.30539	6.8
321.31528	15.7
395.35251	15.4
413.36292	100.0
414.36752	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	412.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.4
55.01870	8.9
55.05504	1.9
57.03429	6.4
61.02932	7.4
67.05495	1.7
68.99789	2.8
69.03427	37.4
69.07080	8.9
69.28696	5.6
69.29128	7.9
70.06606	7.5
71.04991	5.4
72.08147	3.4
73.02909	7.7
79.05477	1.4
81.03413	32.5
81.07056	2.5
83.01360	1.4
83.04984	1.8
83.08591	1.4
83.15649	1.3
84.04493	2.6
84.08143	3.9
85.02899	100.0
86.09737	5.7
87.00826	38.2
87.08096	15.6
91.03955	1.7
91.05459	3.6
93.07021	1.4
97.02886	40.9
97.03510	2.6
99.04447	20.9
100.11243	1.5
105.01859	55.7
105.02564	2.7
105.07001	3.6
107.04967	1.8
109.02875	30.7
110.07133	1.4
115.03925	2.2
116.07121	1.2
117.01856	3.3
119.10686	2.1
127.03909	78.8
129.01840	4.0
132.08112	1.3
133.87000	1.2
140.10664	2.9
145.04955	38.2
146.06010	2.7
147.02879	3.3
147.10149	9.4
159.02887	23.2
164.07068	3.3
164.10670	2.6
166.08589	1.3
168.10248	1.2
182.15443	1.4
189.03937	1.5
210.14850	1.5
213.03958	4.8
215.10707	1.3
231.04979	19.8
249.06007	5.0
251.10275	1.4
266.58151	1.4
392.36084	1.4
412.20172	4.4
413.17392	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.05499	6.4
56.05041	3.8
57.03432	23.6
59.04987	6.3
61.02918	3.7
67.05499	5.2
67.94082	3.2
69.03081	4.4
69.03430	79.7
69.07053	5.9
70.06596	15.0
71.04983	7.4
71.58208	7.2
71.58578	4.2
72.08153	4.8
73.02890	12.1
77.49544	3.2
79.05472	4.7
81.03403	12.8
81.07061	6.8
83.04981	4.3
83.08601	7.2
84.04493	4.0
84.08137	5.2
85.02902	100.0
86.09693	15.9
87.04465	46.6
91.03974	4.2
91.05461	12.4
93.07020	8.8
97.01107	3.3
97.02892	74.2
97.06519	4.0
98.97592	7.4
99.04472	6.0
104.10732	3.8
105.07020	6.5
107.08572	5.9
109.02867	8.8
110.07201	4.8
115.03147	5.7
115.03927	79.9
116.98612	3.4
119.04912	3.6
119.08576	5.1
124.31353	3.3
127.03937	23.8
129.09135	3.9
129.10196	4.1
129.12724	4.5
133.04964	83.0
136.07486	4.5
136.64798	3.5
143.23978	3.3
145.04973	33.3
145.10072	5.5
150.07617	10.5
163.06004	8.7
175.04010	3.2
177.00656	6.0
184.07327	4.9
207.06586	8.1
215.12695	3.4
219.92802	2.8
248.05656	4.4
263.09628	2.9
283.19073	3.4
320.39340	3.3
412.19690	22.6
413.18381	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	413.1415
Annotation	t(6)a
Peak:m/z	Relative Intensity
55.01854	0.6
56.05032	1.1
56.96561	0.7
57.03413	0.4
57.13565	0.4
58.23690	0.4
67.05491	0.7
69.03415	0.7
69.32147	2.7
69.32566	1.5
70.06589	3.5
72.08132	1.0
72.86717	0.4
74.06084	2.9
80.05045	0.5
81.03404	0.8
83.04967	1.1
84.04481	0.9
84.08129	1.8
84.85843	0.4
85.02900	1.5
86.09702	0.7
89.03893	0.7
93.03411	0.5
95.04940	0.6
98.97585	0.5
100.51472	0.5
102.05529	1.3
103.05481	0.6
107.04953	0.7
110.07174	0.7
111.04453	1.0
116.07094	0.9
116.98634	0.5
117.39635	0.4
119.03550	2.0
120.06577	7.8
120.07974	0.5
123.04421	0.6
129.10269	0.8
135.04404	1.0
136.06178	100.0
137.04556	2.3
137.06543	0.5
139.03897	0.7
145.02763	0.7
147.04424	0.6
150.05499	2.0
151.05836	1.8
152.06895	0.4
157.04982	0.6
162.04109	59.9
163.03865	4.5
164.07018	1.1
175.03932	0.5
175.05907	0.5
176.07114	0.8
177.05383	0.6
178.04938	0.8
179.03352	0.5
193.06876	0.8
195.72412	0.6
203.05411	0.5
204.03726	0.6
204.06508	1.1
220.06012	1.0
221.06352	2.0
222.07591	0.8
235.07152	0.5
268.10434	0.5
281.09918	50.8
406.77100	0.5
413.14029	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.199
Annotation	diflorasone
Peak:m/z	Relative Intensity
55.05502	0.7
56.96547	0.3
57.03438	0.3
57.57973	0.2
65.03932	0.2
67.05500	0.6
69.03419	0.8
69.07057	0.7
70.06598	2.4
71.04986	0.4
71.59104	0.5
72.08149	1.4
73.08513	0.2
79.05504	0.6
80.05032	0.2
81.03417	0.7
81.07056	0.8
83.08598	0.4
84.04491	0.3
84.08150	1.4
85.02895	0.9
86.09705	2.7
91.05481	1.0
92.67094	0.2
93.07031	0.5
95.04971	0.9
95.08598	0.8
97.02888	0.6
97.06555	0.5
98.97589	0.6
102.05606	0.2
104.30327	0.3
105.07043	1.0
107.04983	0.4
107.08620	0.5
109.02882	0.5
109.06541	0.4
109.10163	0.4
111.04432	0.3
116.98694	0.4
118.08624	0.3
119.04916	0.4
119.08587	0.5
120.08134	0.3
121.06497	0.3
121.10123	0.3
123.04434	0.5
133.10165	0.4
135.11687	0.4
136.07555	0.4
137.05919	0.4
145.06490	0.3
155.27829	0.3
163.03865	1.0
167.77472	0.2
177.00784	0.3
178.76389	0.3
185.58867	0.3
191.08159	0.3
199.18031	0.4
203.05254	2.6
272.19397	0.4
361.04333	0.3
411.19885	100.0
412.20258	3.6
421.34631	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87629	1.4
53.03940	1.7
53.92591	1.7
55.01871	1.6
55.05510	20.2
57.03419	3.7
57.07062	5.0
65.03939	1.9
67.05500	38.8
67.75043	1.3
67.77110	1.3
69.03405	1.8
69.07063	24.0
70.78851	3.8
70.79223	3.5
71.04989	6.7
79.05489	23.0
81.07050	87.9
82.07414	1.8
83.04980	7.1
83.08607	14.3
85.06533	6.7
88.23167	1.5
91.05473	32.5
93.07034	27.0
95.04942	4.4
95.08597	100.0
95.36810	1.8
97.06512	14.8
97.10168	9.2
99.08070	9.1
105.07021	41.2
106.07381	1.8
107.08559	14.9
109.06502	3.8
109.10153	9.3
111.08079	3.4
113.09598	3.5
117.07047	2.0
119.08575	48.5
121.10126	14.7
123.08075	7.3
127.07500	2.0
131.08565	3.8
133.10112	32.2
133.11066	2.1
134.10402	1.7
135.11684	22.8
137.09636	3.0
137.13258	16.4
144.92278	1.5
144.93660	1.6
145.10091	2.2
149.13213	1.9
159.11671	3.4
161.13242	92.9
162.13635	2.9
179.14305	57.8
197.15291	11.3
215.16385	2.4
288.06107	1.9
296.54626	1.9
357.27814	7.3
375.28833	5.5
433.93228	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89114	2.5
53.03942	3.6
57.00642	2.3
60.04523	7.4
60.42679	2.4
65.03949	3.0
67.05495	7.1
69.03429	5.9
69.82498	12.6
81.03385	2.5
82.66512	2.3
83.04994	15.3
84.04486	2.5
85.02923	6.3
89.03897	2.6
91.05488	4.4
93.03408	5.1
94.06555	3.0
95.04955	18.9
95.07383	2.4
97.02892	2.9
103.05485	2.9
104.04991	3.5
107.04958	4.9
111.04419	13.7
117.03406	3.0
118.06523	5.9
119.04980	3.4
121.02857	6.9
121.06567	3.6
122.06037	11.6
123.04443	17.4
129.05463	4.6
131.04912	8.3
132.04436	15.0
133.02861	8.1
134.06039	4.7
135.04434	9.4
136.07593	4.0
137.06004	4.6
139.03886	8.0
144.84908	2.9
146.06015	17.3
147.04420	19.3
148.03874	3.1
148.07564	4.5
149.02409	5.7
149.05994	4.4
150.05502	100.0
151.03900	3.7
152.07098	18.6
157.04979	3.6
159.04462	6.0
161.02441	3.7
162.05525	6.0
163.03877	16.0
163.06187	6.6
164.07053	22.7
165.05498	7.9
174.05542	15.7
175.03874	11.6
175.06178	5.4
176.03445	2.8
176.06996	12.3
177.05490	7.9
178.04999	31.0
179.03412	10.8
180.06604	3.5
192.06575	35.6
193.05048	4.0
194.08124	6.9
195.02893	2.8
196.06100	4.7
202.04980	15.1
203.03410	15.8
210.07625	3.2
220.06049	97.9
221.04501	11.0
221.06477	3.5
238.07065	20.1
279.05865	4.1
283.07211	12.4
367.09317	3.2
394.11362	16.1
395.09238	4.6
412.12061	55.8
413.12860	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	412.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.9
56.96569	1.5
60.04502	2.8
65.03924	3.4
67.05490	4.9
69.03412	5.2
69.92957	8.9
70.06576	6.5
72.08123	2.8
74.06056	3.1
81.03409	4.2
83.04977	10.7
84.04492	4.6
84.08149	1.9
85.02872	5.2
85.52039	1.5
86.09689	3.4
91.05471	5.0
93.03413	3.4
93.07051	1.5
94.06568	2.0
95.04951	8.7
96.88133	1.4
97.02895	2.4
103.05433	3.0
104.04974	2.3
107.04946	3.9
108.94740	1.6
109.02897	3.3
110.07159	2.3
111.04443	11.0
111.64642	1.5
118.06508	4.2
119.04923	4.1
120.08112	2.3
121.02893	3.0
121.06460	1.8
122.06033	10.9
123.04401	10.3
127.03867	1.7
129.05476	3.2
130.06490	1.5
131.04898	4.0
131.25064	1.9
132.04448	12.9
133.02834	5.3
135.04370	5.7
136.06184	1.8
136.07564	4.0
137.05981	2.9
139.03880	4.5
146.03664	1.9
146.05986	9.8
146.09650	1.6
147.04393	15.7
148.03932	1.6
148.07518	2.9
149.02332	3.1
149.05986	3.5
150.05492	100.0
152.07045	6.0
157.04948	3.3
159.04366	2.3
160.03915	3.9
162.05490	5.4
163.03915	12.3
163.06248	4.4
164.07053	15.0
165.05481	7.1
166.04889	1.4
174.05492	8.9
175.03850	7.2
176.07043	9.0
177.01889	2.0
177.05484	4.9
178.04965	30.1
179.03328	6.2
184.66039	1.6
189.00383	1.6
192.06532	22.1
194.08136	6.8
196.06004	4.4
202.04979	8.2
203.03421	12.2
210.07658	2.3
220.06029	98.7
221.04416	6.7
238.07117	16.7
241.79144	1.5
345.85181	1.8
366.12030	2.5
394.11133	4.1
412.12262	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	411.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
55.05507	1.9
56.05023	1.7
56.96555	3.0
57.03415	1.0
58.06595	0.9
60.04521	1.0
61.02914	1.1
61.15943	0.8
63.17036	0.9
64.49123	0.8
67.89624	0.9
68.04996	1.2
69.03426	4.6
69.07065	24.5
69.69392	0.8
70.06593	3.8
70.98361	2.4
72.04512	4.3
72.08153	2.1
73.02929	1.1
74.02435	15.6
79.69423	0.9
80.04997	1.0
81.03419	5.0
82.02925	6.4
82.06569	1.3
82.96432	0.8
83.01334	1.1
84.04514	5.6
84.08141	13.1
84.94469	0.8
85.02893	8.0
85.08904	1.6
86.06076	1.1
86.09702	100.0
88.04025	1.1
89.03989	1.1
96.04482	3.6
96.08114	1.5
97.02895	3.5
98.06062	4.6
98.97578	1.1
99.04442	1.5
99.05582	9.7
100.03991	4.3
102.05544	1.7
104.10746	18.1
107.08582	1.6
109.02832	1.0
110.06071	1.8
110.07211	0.9
111.04404	1.4
114.05534	1.8
115.03970	2.3
116.07087	2.3
117.06651	1.2
118.05015	8.1
122.09651	5.0
124.07575	1.4
127.03949	1.1
128.03427	2.1
130.05002	2.2
132.06589	1.6
135.04362	1.6
136.07559	1.9
139.12331	2.4
140.10683	1.9
142.08667	0.9
145.02873	1.6
145.06075	4.9
146.04478	21.7
146.06154	0.9
147.04391	1.2
150.05638	0.9
150.09149	8.9
152.07033	1.0
161.01283	1.8
163.03891	6.4
163.07219	2.0
166.33784	0.9
167.11801	19.2
167.13124	1.6
168.10165	1.3
176.33492	1.1
185.12865	4.6
186.11227	1.3
192.06549	1.3
196.09679	5.5
213.12332	22.4
214.10732	24.9
214.12738	1.4
218.04489	0.8
219.01810	1.0
220.06053	2.8
226.07021	1.0
231.13388	60.7
232.11821	5.3
232.13885	1.3
238.07051	1.3
243.09760	1.2
249.14445	97.1
250.14864	1.8
254.98047	1.5
273.02908	1.5
291.15790	1.3
397.31241	0.9
411.14017	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87341	0.2
53.03927	1.2
55.01867	2.7
55.05496	0.7
56.05017	0.3
56.96567	0.7
57.03436	1.7
59.04979	0.3
61.02924	0.7
65.03940	0.4
67.05492	0.8
69.03425	11.3
69.07067	0.5
70.06592	2.0
70.37493	1.0
71.01361	0.5
71.04990	6.0
72.08147	1.0
73.02908	0.8
74.06073	0.3
79.05466	0.5
81.03416	8.4
81.07019	0.7
83.01324	0.3
83.04967	0.3
83.08628	0.7
84.04493	0.6
84.08145	1.4
85.02895	1.6
86.09689	1.3
87.00843	0.4
87.04449	0.5
88.03964	0.4
91.05452	1.7
93.07030	0.6
95.04947	0.6
95.06080	1.3
95.08591	0.4
96.06441	0.4
97.02904	0.5
98.97584	0.7
99.04455	4.9
102.05540	0.3
105.01866	0.5
105.07032	0.5
109.02861	0.6
109.10187	0.3
110.07145	0.7
113.07124	0.6
116.04979	0.6
116.06997	0.3
117.05463	1.9
117.06969	0.3
118.06544	6.0
119.04964	0.6
119.08580	0.3
120.08104	1.7
121.06470	0.4
121.10156	0.3
123.04391	0.7
123.08080	0.3
127.03919	0.7
128.06207	0.3
129.10208	1.0
130.06540	0.5
130.60315	0.3
135.04286	0.4
135.06535	0.3
135.11719	0.3
136.07571	0.6
137.05984	0.5
137.07912	0.5
141.82353	0.3
145.02817	0.4
145.06593	0.3
145.07599	7.2
145.12245	0.3
146.05994	0.7
147.04388	0.9
147.09154	4.8
162.10277	0.6
163.03914	0.9
163.08646	1.1
166.43022	0.3
167.07027	1.1
169.05098	0.3
173.07101	14.0
175.08687	3.1
177.05437	0.4
188.08208	3.2
190.07375	0.4
191.08147	100.0
192.08472	1.2
203.05389	1.0
203.08176	0.6
213.10283	0.4
233.09244	0.4
242.08040	0.3
271.10693	0.7
289.11765	2.9
294.86420	0.4
307.12863	41.5
308.13150	0.6
308.20419	0.4
322.13940	5.4
325.13940	6.4
367.13065	0.4
367.27689	1.2
375.11810	0.7
393.12878	3.2
411.14163	2.5
411.19904	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	411.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.7
55.01868	18.2
55.05515	22.8
56.96570	6.2
57.03438	7.1
58.19754	3.3
61.02921	8.7
65.03944	3.4
67.05503	42.5
68.99786	7.6
69.03429	36.4
69.07068	15.4
70.06586	5.8
71.01361	4.6
71.04996	17.1
71.60128	4.3
79.05495	63.8
81.03423	39.9
81.07059	63.5
83.04985	29.2
83.08625	4.4
84.04520	3.5
84.08119	2.9
84.39491	2.6
85.02905	40.6
87.00829	19.2
87.04438	3.0
91.05475	60.1
93.07039	100.0
95.01324	5.3
95.04975	26.9
95.08607	44.7
97.02897	29.0
97.06532	11.4
98.97587	4.9
99.04461	10.7
103.03933	5.7
103.05476	5.6
105.01907	5.4
105.07029	77.9
107.04924	15.1
107.08592	95.7
107.09284	5.9
108.79704	3.1
109.02872	45.5
109.06513	16.5
109.10151	26.7
111.04452	12.8
115.03914	6.2
115.05453	6.6
117.07014	24.3
119.04951	7.5
119.08583	44.8
121.06500	25.6
121.10149	39.1
123.04429	16.5
123.08067	14.6
123.11720	14.7
125.02316	5.0
125.06001	6.6
127.03909	19.4
128.06241	6.8
129.01843	4.1
129.06967	14.8
130.07779	4.0
131.08559	32.9
133.06511	6.6
133.10126	38.3
135.04420	9.7
135.08029	14.8
135.11694	56.8
137.05997	10.3
137.09644	7.6
139.07535	5.0
141.06958	5.1
142.07779	8.6
143.08543	22.0
144.09320	6.4
145.05092	3.2
145.06525	10.5
145.10094	35.5
146.04553	3.7
147.08060	27.4
147.11685	36.4
149.05965	3.8
149.09589	15.1
149.13268	12.2
151.03935	6.8
151.07513	5.2
153.05495	8.3
154.07710	3.5
155.08571	9.7
156.09331	5.7
157.06563	6.5
157.10184	14.9
158.07283	4.4
159.08044	16.8
159.11708	28.5
161.06129	3.2
161.09602	20.9
161.13264	8.6
163.03883	7.4
163.07507	8.2
163.11174	30.9
165.12720	5.9
166.07727	3.5
167.08556	5.0
169.10149	11.1
171.08049	6.9
171.11717	4.8
172.08937	4.7
173.09648	8.9
173.13260	9.0
175.07498	8.2
175.11179	24.8
177.05574	3.2
177.09155	5.7
177.12776	8.8
183.08086	4.2
183.11714	4.9
185.09602	7.7
187.07553	4.0
187.11157	19.0
187.14774	5.3
189.03937	3.6
189.09105	5.5
189.12727	11.0
191.10640	10.7
193.12265	5.4
197.09621	7.2
197.13249	4.5
199.11224	7.7
201.12793	7.7
203.10608	6.3
203.14264	4.6
205.12270	7.2
207.10138	3.5
211.11151	3.9
215.10687	6.9
215.14331	9.0
216.12347	6.9
217.12242	7.0
225.12813	11.8
227.10774	3.7
229.12189	7.6
233.11667	7.0
241.12271	3.3
243.13805	16.1
253.12097	16.8
261.14978	8.7
271.13293	24.7
289.14359	20.5
289.17804	7.1
307.15417	11.8
325.16367	6.0
337.13095	5.1
349.16525	7.6
365.15866	6.2
375.14230	3.9
393.15295	10.7
393.19672	5.3
411.15833	27.1
411.20477	9.9
411.28363	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	411.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01869	2.7
57.03434	2.2
59.04998	0.6
61.02919	0.6
68.25343	0.3
68.99760	0.4
69.03424	9.4
69.78724	1.2
69.79153	1.0
70.06568	0.5
71.01333	0.5
71.04649	0.4
71.04990	5.1
73.02919	0.6
81.03411	28.7
84.08151	0.3
85.02860	0.7
86.09691	0.6
87.00832	1.7
87.04433	0.5
91.05447	0.8
98.21471	0.5
98.97550	0.8
99.04448	8.3
105.01834	0.4
116.04958	0.9
117.05474	3.1
118.06546	5.0
132.06776	0.4
145.06538	0.3
145.07594	7.4
147.09157	12.3
148.06233	0.4
157.48715	0.4
159.09192	0.4
162.07857	1.4
163.08646	1.3
173.07103	12.3
173.08600	0.6
174.07524	0.4
175.08661	10.8
185.04457	0.8
187.08621	0.6
189.10245	0.4
190.07355	0.5
191.08136	100.0
192.08498	1.3
199.08604	0.7
200.09474	0.4
203.05290	0.8
203.08119	1.1
205.09676	0.7
213.10191	0.6
215.08232	0.7
215.11742	0.6
227.08319	0.4
227.18188	0.3
228.09016	0.4
231.11227	0.7
233.09128	1.5
237.02740	0.4
243.11267	1.2
259.71832	0.3
271.10678	2.3
289.08896	0.5
289.11823	6.4
298.06885	0.3
306.72464	0.3
307.12918	17.5
308.11136	0.6
325.13901	10.3
325.17688	0.6
331.12784	4.1
349.14090	2.9
357.10977	0.5
375.11832	14.5
376.11804	0.4
393.12881	30.2
394.13190	1.1
411.19531	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32719	0.4
55.05508	0.6
61.48766	0.4
69.07031	0.4
70.09786	1.8
70.10191	0.8
78.88660	0.4
82.06590	0.6
84.08142	0.5
86.09702	100.0
87.10047	1.2
98.21416	0.4
100.07700	0.4
111.99438	0.5
117.05499	3.1
123.47687	0.4
131.98093	0.4
132.10199	77.8
133.10536	0.7
164.07037	0.4
180.42474	0.6
197.94489	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01860	2.5
55.05496	2.4
56.96569	1.6
57.03424	2.5
57.07059	3.3
61.02927	1.8
67.05509	3.6
67.39452	0.6
69.03424	8.8
69.07054	3.0
69.48263	0.7
69.57365	3.0
69.57767	2.3
70.06566	1.4
71.04990	12.8
71.85054	0.8
72.08128	0.9
73.02905	2.2
73.06539	2.7
75.04471	0.9
79.05491	3.8
80.38895	0.6
81.03061	0.6
81.03426	7.8
81.07054	2.4
83.08627	0.6
83.45328	0.7
84.08140	23.8
85.02906	22.4
85.08467	5.8
86.09692	2.8
87.00830	9.0
90.62813	0.8
91.03950	0.8
91.05481	2.9
93.07028	3.2
95.04962	0.8
97.02888	10.9
98.20794	1.5
98.97576	2.5
99.04431	4.3
105.01855	9.3
105.07013	2.4
107.04925	0.9
107.08588	1.9
109.02857	7.7
109.06553	1.1
109.10148	5.3
116.98605	2.0
117.01848	1.7
117.07005	1.3
120.08119	1.3
121.06496	0.9
127.03912	15.8
127.11190	28.3
128.98647	1.0
129.01813	1.6
131.00151	1.0
135.11661	0.8
137.05966	3.2
145.04968	6.3
145.12230	100.0
146.04474	1.8
146.12566	1.0
146.99596	1.5
159.02863	2.9
163.11148	0.8
176.79671	0.7
203.06979	0.9
230.10277	1.2
231.05017	2.6
237.02765	3.1
238.03120	1.3
324.08417	4.2
341.09055	1.6
342.09375	5.3
366.09665	1.1
392.15720	0.9
410.09430	2.6
410.18729	1.6
410.25079	1.2
411.19485	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45464	5.4
55.01850	5.7
55.05515	6.9
55.51952	4.6
56.32307	5.2
56.96564	6.6
57.03431	30.3
59.04982	7.6
67.05512	6.4
69.03424	97.0
69.93587	32.5
70.06570	13.1
72.08157	31.4
73.02899	11.4
78.02750	4.6
79.05528	7.6
80.17257	5.2
81.03410	74.6
81.07039	5.7
83.04997	12.5
84.04487	23.1
84.08131	11.8
85.02898	71.7
86.09695	10.8
87.04463	58.8
89.03921	5.8
91.05474	6.3
95.04954	70.9
97.02879	71.1
98.97584	13.4
99.04500	7.0
102.05540	8.5
107.04949	9.4
111.04439	8.0
115.03924	99.9
119.04927	15.3
120.08094	20.4
121.02858	10.3
121.08447	7.2
123.04424	100.0
127.03908	14.7
127.53400	5.5
133.04958	94.6
136.07573	23.6
137.05951	9.3
144.08029	10.6
145.04936	13.0
146.04520	5.9
147.04399	16.7
150.07625	13.9
163.03900	13.1
165.05513	13.1
166.08725	6.7
182.08165	14.3
183.11304	11.2
195.06506	6.1
201.12358	16.4
207.06537	10.5
225.07558	15.0
229.11899	6.5
248.06104	5.8
289.11908	6.7
319.10788	5.9
410.10956	28.7
411.08911	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	409.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	40.7
57.07058	53.6
69.07064	64.5
69.58882	100.0
71.08611	28.9
81.07033	21.1
83.08636	25.1
90.50347	11.2
93.07050	16.6
93.59821	10.9
95.08589	34.7
97.10169	33.3
98.20833	26.5
107.08601	16.2
109.10127	19.3
119.08562	14.8
121.10114	19.2
125.02347	38.5
127.03876	34.2
133.09981	16.3
169.08600	14.0
177.09084	21.4
195.10176	13.9
201.69221	12.6
209.89372	11.3
247.14714	13.6
248.52361	11.8
291.40524	13.7
312.09528	12.5
373.30942	31.7
391.31943	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	410.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.3
55.01860	3.6
55.05502	6.5
56.96553	6.7
57.03446	5.6
61.02915	3.8
67.05501	6.3
68.99780	4.1
69.03416	18.2
69.07040	3.7
69.83936	18.6
70.02943	3.0
70.06593	23.2
71.04972	12.0
72.08124	3.0
72.36543	2.7
73.02908	5.3
79.05481	6.3
81.03413	16.9
81.07065	5.1
84.04541	3.0
84.08106	8.0
85.02904	44.6
85.71526	2.5
86.09673	7.7
87.00806	12.3
91.05470	6.2
93.07019	6.7
95.04970	5.7
95.08567	4.3
97.02880	15.4
97.06519	2.7
98.97581	4.2
99.04462	6.1
103.03925	5.2
105.01840	12.3
105.07010	7.6
106.07492	2.8
107.08590	7.2
108.08926	3.3
109.02840	11.9
111.04438	2.9
115.03960	4.3
115.05453	3.9
116.98576	8.1
117.05728	7.8
117.06997	6.9
119.08537	3.2
120.08084	14.1
121.06474	3.6
127.03918	20.6
127.11144	3.9
129.06998	5.9
130.06526	19.1
131.04965	5.1
132.08054	8.0
137.06065	3.3
143.07304	30.3
144.08089	89.8
145.04903	5.3
145.12209	11.1
156.08058	23.9
157.08922	5.1
158.06058	3.7
158.09647	97.0
159.02858	8.1
160.07579	13.2
162.09111	8.9
162.11191	4.2
163.03912	3.0
167.07275	8.7
168.08057	25.5
170.09636	7.1
172.07523	3.7
174.09149	9.3
180.07977	5.0
182.09683	6.8
184.07573	22.4
186.07494	5.5
186.09138	100.0
196.11217	5.4
200.10713	2.8
204.10196	86.8
206.09764	5.9
217.13147	3.2
224.10661	8.7
228.10231	6.7
231.04861	3.4
234.09126	4.4
235.07310	3.9
235.57571	4.7
237.02843	5.2
240.10216	2.9
245.12744	3.5
252.10132	16.2
270.11319	6.1
325.09213	3.8
330.13373	7.5
348.14456	7.0
356.11166	9.9
374.12350	40.1
375.12701	4.1
392.13345	51.2
410.18399	11.3
411.19919	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	409.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45459	6.2
55.05509	32.7
67.05505	79.3
69.07066	20.6
69.48577	5.9
79.05489	66.1
81.07055	92.8
83.04999	12.3
83.08617	22.8
84.22151	5.5
91.05479	63.5
93.07049	77.2
95.04980	10.2
95.08618	66.2
97.06514	10.0
97.10177	8.9
105.07038	58.7
107.08585	46.1
109.06595	8.6
109.10166	25.2
111.08085	5.8
112.56711	6.0
117.07005	22.0
119.08566	32.6
121.10136	46.4
124.64157	6.4
125.09604	10.5
129.07031	11.8
131.08540	30.4
133.10141	35.3
134.21916	6.0
135.11719	23.2
143.08568	14.2
145.10095	29.7
147.11714	21.2
149.13268	15.9
155.08539	10.9
157.10161	18.4
159.11728	19.3
161.13242	13.1
165.12724	6.2
169.10114	8.3
171.11763	13.6
185.13338	12.0
197.13242	7.4
220.72556	6.5
249.18446	17.6
261.18628	10.1
268.14664	5.7
337.25305	19.3
355.26324	43.3
355.47247	6.4
373.27463	45.8
391.28384	64.1
409.25586	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.2
55.01873	7.7
55.05507	11.3
57.03423	3.5
57.07074	12.1
67.05493	1.8
67.20261	1.0
69.06720	1.5
69.07067	21.7
71.05545	1.9
71.05917	0.9
71.08633	9.4
75.25344	0.7
77.08019	1.0
81.03419	9.7
81.07042	4.3
83.08614	16.0
85.10172	7.0
87.57126	0.9
91.01891	0.9
93.07068	0.9
95.08602	4.6
97.10168	10.8
99.04424	1.3
99.11731	1.0
107.08588	1.7
109.02885	9.7
109.10155	6.3
111.11701	6.6
114.41515	0.8
115.03922	9.7
116.94554	0.8
119.08554	0.9
123.04449	2.3
123.08090	0.9
123.11717	1.2
125.13269	3.1
127.03910	100.0
128.04282	1.4
130.69814	0.8
135.11697	1.1
137.09688	0.8
137.13161	0.9
139.14818	2.1
141.05460	6.1
145.04919	1.8
149.09673	1.0
151.07555	1.1
155.03827	0.9
155.07013	1.5
165.09277	1.0
168.06607	1.3
169.08585	6.7
183.10161	13.9
195.10147	3.6
197.11723	8.0
201.93471	0.9
209.11736	3.3
211.13304	4.6
223.13309	2.4
225.14772	4.2
237.14900	3.4
239.16412	6.4
251.16452	4.9
253.17987	8.6
265.18082	5.7
267.17068	0.8
267.19406	5.4
279.19565	3.1
281.21103	3.3
293.20972	2.6
295.22638	3.5
307.22546	2.3
309.24191	2.3
310.58636	0.8
321.24292	2.1
335.25714	3.0
352.06757	0.9
391.32043	26.5
392.32291	1.2
409.33038	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	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.7
55.05257	1.8
55.05507	21.0
55.52023	1.2
57.03425	1.3
57.07076	10.9
59.04982	3.8
65.03929	2.6
67.05497	18.9
67.24624	1.3
69.03427	8.4
69.07069	7.4
69.34375	9.1
69.34782	2.6
71.04992	1.8
71.08618	1.6
77.03896	1.2
79.05488	21.4
81.03402	2.6
81.06577	1.6
81.07057	32.9
83.04955	4.4
83.08599	2.3
85.06522	4.5
89.06023	3.7
91.05481	36.5
93.06466	2.2
93.07041	43.6
95.04966	52.6
95.08609	24.2
97.06525	7.6
103.05457	2.4
105.07030	100.0
106.07307	2.6
107.08591	21.6
109.06526	11.4
109.10150	6.8
111.08051	2.0
115.05469	2.2
116.06258	2.1
117.07002	13.6
119.04871	2.0
119.08578	68.3
120.09383	1.7
121.06509	15.0
121.10138	14.9
123.08076	16.2
123.11717	1.7
128.06213	4.2
129.07010	7.9
130.07762	4.5
131.08559	22.1
133.06544	6.0
133.08566	1.8
133.10120	15.7
135.08061	14.4
135.11710	2.6
137.06033	1.5
137.09619	8.0
141.06993	4.8
142.07794	13.1
143.08548	14.1
144.09396	2.8
145.06482	2.9
145.10112	32.0
147.08057	16.4
147.11678	43.3
149.09622	10.9
151.07530	19.4
155.08551	6.2
156.09309	3.8
157.10124	19.4
158.10910	1.6
159.08005	3.1
159.11665	13.5
161.09631	6.3
161.13257	4.0
163.11137	4.0
165.06993	1.7
165.09099	27.3
166.07864	1.4
167.08578	3.9
168.09311	3.7
169.10118	6.6
170.10938	3.0
171.11647	7.6
173.09618	4.7
173.13263	8.9
174.10370	1.5
175.09738	2.2
175.11176	30.3
175.14832	2.4
176.64386	1.5
177.09081	4.3
178.09889	3.5
179.08632	1.7
181.10120	3.9
181.12207	1.5
182.10840	1.9
183.11700	8.8
185.09583	1.5
185.13266	5.8
187.11200	4.6
187.14743	2.2
189.12709	4.9
191.14342	2.9
193.10136	2.2
194.10797	1.7
195.11748	4.2
196.12569	2.3
197.13272	2.6
199.11176	3.3
199.14755	2.7
201.12758	8.2
201.16327	2.2
203.14291	13.1
207.11929	2.0
207.13803	6.7
209.13382	2.7
209.15346	3.2
211.11220	1.8
211.14766	4.0
213.12791	3.1
215.14311	4.0
216.15050	2.0
219.13742	4.5
221.15347	61.1
222.15744	1.6
223.14807	1.7
225.12784	1.5
225.16408	1.9
227.14351	1.8
229.15816	4.0
231.13805	3.7
233.13148	1.9
233.15312	2.2
234.16153	18.6
237.12727	1.6
239.14665	2.8
241.15726	1.3
243.13657	1.5
253.15813	1.6
281.19016	2.1
286.19281	1.8
287.20068	5.5
300.20825	4.0
312.20755	1.8
329.21011	4.4
391.26221	6.0
392.31595	1.6
409.27374	34.9
409.35028	1.4
410.27484	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	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76097	2.8
53.03927	5.2
55.05507	27.4
57.03437	3.5
57.06822	3.4
57.07062	17.4
57.97027	2.5
59.05000	3.8
67.05504	37.4
69.03398	7.0
69.07062	14.0
71.08615	5.4
71.34381	6.3
79.05486	24.2
81.07053	52.0
83.04985	7.3
83.08622	8.1
85.06533	5.6
89.06025	8.7
91.05477	41.2
93.07037	56.1
95.04961	58.8
95.08601	42.3
97.06533	14.3
105.07026	100.0
107.04985	3.3
107.08585	25.7
109.06521	11.1
109.10145	14.7
111.08028	3.5
115.05446	5.7
117.07008	10.6
118.07759	3.4
119.04940	4.2
119.08573	72.3
120.36272	3.6
121.06509	17.2
121.10163	21.5
123.08057	23.2
123.11672	4.4
124.09774	3.1
129.06996	7.4
131.08577	32.6
133.06453	4.2
133.08641	7.5
133.10133	24.1
135.08054	17.6
135.11696	8.7
137.09627	12.9
141.06953	7.3
142.07784	13.8
143.08559	18.3
143.24133	3.1
145.10103	34.1
146.07379	4.0
147.08023	17.3
147.11676	40.7
149.09625	13.5
149.13216	6.3
151.06477	4.0
151.07532	24.2
155.08572	6.4
156.09335	6.1
157.10147	21.3
159.08090	6.9
159.11676	16.1
161.09616	13.9
161.13246	9.0
163.11163	6.5
165.09114	38.1
167.08647	4.7
168.09344	6.0
169.10138	18.0
170.10858	3.9
171.11697	11.3
173.09665	6.7
173.13284	9.2
175.11171	23.8
175.14742	3.1
177.09174	4.4
179.08662	3.4
181.10220	7.2
183.11742	13.2
185.09743	3.6
187.11177	4.6
189.12668	6.7
195.11711	3.1
197.13290	4.4
199.11134	5.3
201.12714	7.0
201.16246	3.8
203.14305	13.1
207.13782	8.6
209.13304	5.1
211.14758	6.8
219.13783	4.6
221.13341	6.9
221.15350	68.0
227.14348	3.7
229.15894	6.5
234.16165	12.7
238.14619	2.9
286.19281	3.8
287.20004	9.4
292.79019	3.7
300.20828	7.7
320.75296	3.4
327.57187	3.5
329.21143	7.2
391.26270	4.6
409.18488	3.7
409.27319	50.8
409.33127	16.1
410.27725	4.1
416.27457	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.3
55.05513	22.2
56.11356	1.7
57.07064	7.8
59.04997	3.4
60.20577	1.7
65.03934	3.2
67.03711	1.8
67.04224	2.6
67.05507	19.5
69.03419	8.8
69.07056	6.7
78.68815	2.0
79.05491	21.9
81.03406	2.3
81.07057	29.0
82.06580	3.4
83.04975	5.1
84.73649	1.9
85.06543	3.1
87.04383	1.8
91.05482	39.2
93.07046	43.4
95.04360	2.9
95.04967	51.5
95.08607	25.7
96.19936	1.9
97.06512	5.7
97.10167	2.0
103.05431	3.0
105.07034	100.0
107.08595	23.2
109.06519	10.9
109.10168	9.6
111.04378	1.9
111.08088	2.0
115.05473	3.0
117.07008	13.8
119.04942	3.0
119.08582	61.7
119.09458	3.0
121.06502	18.2
121.10127	16.3
123.04420	3.7
123.08077	19.7
125.09687	2.0
128.06212	3.1
129.06969	9.1
130.07758	4.0
131.08568	21.0
133.06503	3.7
133.10132	17.4
134.10571	1.9
135.08041	14.4
135.11681	3.8
137.06050	2.6
137.09621	8.8
141.06982	4.0
142.07793	11.6
143.08577	13.2
145.10124	37.2
147.08057	15.6
147.11694	38.6
149.09644	12.6
151.07532	16.2
153.06979	2.1
154.07722	2.1
155.08540	5.4
156.09357	5.9
157.10124	19.4
159.08041	6.2
159.11702	12.3
161.09586	4.4
161.13228	4.3
163.07513	2.3
163.11180	5.3
165.09125	33.6
168.09363	2.7
169.10110	10.6
170.10896	3.0
171.11670	8.8
173.09679	2.9
173.13237	6.5
175.11189	30.6
175.14803	2.9
177.09129	6.2
178.09848	2.4
179.08620	2.8
181.10214	4.1
183.11688	10.1
185.09589	1.7
185.13251	3.4
187.11159	2.1
187.14766	4.2
189.12747	8.3
195.11681	3.1
196.12424	2.7
197.13272	5.4
199.11198	2.3
201.12791	7.1
203.14326	14.7
207.11856	2.0
207.13887	6.0
209.13292	3.5
210.07410	2.1
211.14795	5.5
213.12875	3.8
215.14296	1.7
219.13803	6.3
219.48987	1.8
221.15359	71.4
229.15904	6.6
231.13773	5.0
233.15346	2.8
234.16060	14.6
251.18295	1.9
286.19302	3.2
287.19995	5.8
297.38968	2.0
299.20087	2.4
300.20761	3.3
329.21085	4.0
350.04642	1.9
366.20496	1.9
391.26419	4.5
391.31967	2.8
409.27277	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2737
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03941	3.5
53.48391	1.9
55.01863	2.3
55.05513	17.9
57.07072	7.0
59.05000	3.7
63.60427	1.7
65.03928	3.4
67.05502	20.1
69.03424	7.2
69.07063	7.6
76.64486	1.7
79.05502	21.4
81.03457	2.1
81.07058	39.1
83.04999	3.9
83.08620	2.5
85.06541	2.9
91.05476	43.9
91.06004	3.3
93.07046	49.9
95.04360	2.8
95.04967	52.0
95.08611	29.3
97.06519	9.9
103.05462	3.0
105.07034	100.0
105.59272	1.8
107.08595	29.1
109.06508	14.5
109.10146	9.4
111.08092	1.9
115.05420	2.6
117.07021	14.9
119.04912	2.2
119.08578	64.1
120.09381	2.6
121.06499	17.9
121.10139	13.6
123.04445	2.0
123.08098	19.0
125.06087	2.4
125.09611	2.6
128.06221	5.3
129.07014	11.3
130.07787	5.6
131.08565	20.3
133.06461	5.7
133.10139	21.3
135.08060	15.1
135.11682	5.6
137.06010	2.6
137.09642	11.1
139.11206	2.7
141.06976	2.9
142.07794	13.8
143.08562	16.9
144.09308	5.1
145.06499	3.2
145.10130	38.3
147.08041	19.3
147.11685	33.9
149.09605	8.8
151.07541	17.8
153.09109	2.3
155.08548	8.8
156.09372	6.0
157.10144	20.5
158.10881	2.4
159.08057	5.9
159.11688	15.1
160.08832	2.5
161.09619	6.9
161.13216	3.7
163.11235	4.4
165.07053	2.6
165.09111	35.7
166.09613	2.3
167.03378	2.2
167.08620	4.5
168.09412	2.5
168.97029	2.0
169.10126	9.5
170.11008	2.4
171.11696	11.3
173.09558	4.3
173.13229	8.7
175.11186	26.3
175.14845	3.1
177.09103	4.2
178.09999	2.9
179.10701	2.0
180.09448	2.2
181.10190	4.8
181.12241	2.9
182.10966	2.6
183.11658	10.1
185.13306	5.5
187.11235	6.5
189.12796	5.2
191.14343	4.3
193.10127	2.3
195.11676	4.1
196.12495	2.5
197.09708	2.3
197.13290	4.8
199.14828	3.4
201.12752	10.3
201.16440	3.2
203.14241	15.8
207.11810	2.5
207.13852	6.5
209.13240	5.2
209.15263	3.3
211.14806	5.6
212.11958	1.9
213.12642	5.2
215.14415	2.1
219.13763	4.8
221.09572	1.8
221.15358	72.4
222.15857	3.9
223.14673	3.1
227.14340	2.6
229.15884	5.1
231.13873	2.9
233.15337	4.0
234.16136	17.0
239.14355	2.3
253.15952	2.3
253.19127	1.8
269.19049	2.6
271.16742	2.4
286.19308	4.9
287.20087	8.4
299.19989	2.5
300.20853	4.0
329.21045	4.2
391.26172	5.4
409.12793	3.2
409.27322	49.9
410.13663	2.9
410.27554	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2736
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03944	2.5
55.05504	16.3
57.07064	8.7
59.04992	3.4
64.30594	2.0
65.03931	2.5
67.05502	21.5
69.03423	7.9
69.07060	6.4
69.38977	23.1
71.04994	3.6
71.08627	4.3
79.05492	21.1
80.89149	2.0
81.07053	31.8
83.04945	6.1
83.08603	3.7
85.06527	7.4
89.06028	5.4
91.04962	3.8
91.05485	45.2
93.07039	48.9
95.04964	47.0
95.08600	33.2
97.06561	12.0
103.05419	2.7
104.28371	2.0
105.07026	100.0
107.08595	26.7
109.06519	14.3
109.10159	11.6
111.08083	4.3
115.05457	4.5
117.07047	14.6
119.08578	61.8
121.06497	17.0
121.10126	18.9
123.08052	24.0
123.11720	2.5
125.09650	2.6
128.06219	6.8
129.06993	10.6
130.07771	2.1
131.08568	24.0
132.09395	2.7
133.06477	5.8
133.10121	26.9
135.08083	13.7
135.11646	5.9
137.05942	2.6
137.09616	11.3
141.07027	6.2
142.07784	11.1
143.08554	16.1
144.09358	3.5
145.10126	44.2
147.08049	18.4
147.11693	34.3
149.09604	9.7
151.07545	26.3
153.07004	2.5
153.09032	2.9
154.07733	2.9
155.08556	11.8
156.09372	3.7
157.10135	21.9
159.08029	8.3
159.11705	19.9
161.09593	12.0
161.13235	4.0
163.07718	2.6
163.11188	4.6
165.07039	4.3
165.09122	34.5
167.08630	3.9
168.09346	4.4
169.10130	13.8
170.10979	2.7
171.11685	12.5
173.09589	4.6
173.13235	9.2
175.11185	19.9
177.09084	6.1
181.10167	5.2
181.12242	4.2
183.11638	11.6
185.09669	2.7
185.13187	4.0
187.11099	4.6
189.12782	5.2
191.14345	4.0
195.11748	4.5
196.12430	3.3
197.13286	3.9
199.11211	3.6
201.12711	9.5
201.16447	3.4
203.14334	17.6
207.13783	11.3
209.13293	3.9
209.15385	4.8
211.14784	7.3
219.13857	2.8
221.13397	2.9
221.15356	72.2
225.16408	3.8
229.15825	6.9
231.13669	3.6
234.16106	12.2
235.14694	2.5
239.14604	4.7
286.19263	6.3
287.20044	8.5
300.21030	4.3
329.21039	9.1
373.24979	2.5
391.26309	6.1
398.89923	2.5
409.27402	54.5
409.32666	4.1
410.27911	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	409.2195
Annotation	Ser Phe Arg
Peak:m/z	Relative Intensity
55.05481	0.3
55.98584	0.2
56.96566	0.2
57.32855	0.2
66.34233	0.2
67.05499	0.4
69.07091	0.2
69.86302	1.4
70.10341	0.2
75.94411	0.2
77.03036	0.3
79.05482	0.3
81.07046	0.5
83.08683	0.2
83.71825	0.2
91.05495	0.6
93.07035	0.6
101.78949	0.2
105.07012	0.3
107.08566	0.2
109.10164	0.3
119.08572	0.5
121.10165	0.2
137.05925	0.3
147.11687	0.3
149.02339	0.7
159.11729	0.3
193.04938	1.0
215.70959	0.2
240.73430	0.2
255.46835	0.2
264.22568	0.2
309.19171	0.6
317.16241	0.3
327.20160	0.7
335.17676	1.1
353.18253	0.5
409.21942	100.0
410.22244	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	409.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	1.4
67.13450	0.5
70.26845	1.9
79.05476	1.2
81.07053	1.5
91.05511	1.0
93.07007	1.3
95.08610	0.7
105.07021	1.0
107.08567	0.7
119.08567	1.4
131.08575	0.9
141.07036	0.6
289.10098	0.7
309.16711	0.8
329.10117	2.1
351.18280	0.8
364.12732	0.7
373.16522	0.8
403.06955	0.9
409.25601	100.0
410.25949	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.6
56.05014	1.2
56.96548	1.0
60.04504	0.8
60.99139	0.5
67.05508	0.7
69.03425	1.4
69.07057	0.9
69.59731	1.5
69.60153	1.6
70.06590	4.7
71.04994	0.8
72.08148	2.0
73.50124	0.5
74.06074	0.7
75.22691	0.4
78.01788	0.5
79.05474	1.0
81.03422	1.3
81.07047	0.9
82.06583	0.9
83.04972	0.9
83.06086	0.7
84.04503	2.2
84.08134	3.2
85.02904	1.9
85.04840	0.5
86.09702	4.0
87.04482	0.6
87.10046	0.5
88.04006	0.5
91.05473	4.3
91.24319	0.4
92.05797	0.7
93.07022	0.6
95.04973	0.7
95.08627	0.6
97.02870	1.3
98.97561	1.1
99.05568	0.7
102.05521	0.9
103.05449	0.5
105.07022	1.0
106.84344	0.4
107.04939	0.9
107.08597	0.5
109.02863	0.6
110.07150	0.6
116.01649	0.5
116.07056	0.7
116.98636	1.2
117.07066	0.5
118.01245	0.8
119.04932	0.8
120.08109	1.6
121.02958	0.6
123.04479	0.5
127.03976	0.5
128.98587	0.6
129.10255	1.3
134.99615	0.7
136.07576	4.2
137.05986	0.5
146.04492	0.9
146.05984	0.8
147.04442	1.0
148.11160	0.5
163.03883	0.5
163.80122	0.4
164.01814	0.7
177.38005	0.4
185.04231	9.6
203.05354	0.6
206.11552	0.4
212.09248	0.5
216.13609	0.5
218.31380	0.5
229.12082	0.5
237.02905	0.8
246.04968	1.7
247.05791	18.5
250.11870	0.9
261.10785	1.4
262.11038	2.4
278.11365	0.5
295.06354	0.5
312.98346	0.5
325.07065	1.3
325.42148	0.5
371.75052	0.5
409.11032	100.0
410.11337	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.5
55.05517	3.0
56.05041	0.9
56.05847	1.0
57.03424	0.8
58.99579	1.7
60.04507	0.6
60.99157	0.7
69.03434	0.7
69.07025	0.6
69.35230	1.2
69.35654	2.8
70.06589	2.4
72.08138	1.3
72.65627	0.5
76.02205	1.3
78.01820	1.0
81.03418	1.0
81.07051	1.7
82.06557	0.7
82.07378	0.6
83.04961	0.6
83.08611	3.5
83.31656	0.4
84.04510	4.7
84.08132	1.7
84.08929	2.1
85.02919	1.2
85.04832	1.4
85.08447	0.4
86.09679	2.9
86.99036	1.5
87.67624	0.5
88.98571	0.5
91.05463	1.4
93.07029	0.4
97.06528	0.5
98.02431	0.5
98.09711	1.0
99.05553	0.5
102.05537	0.7
105.07066	0.5
110.07112	0.7
113.04261	0.6
116.00846	0.7
116.01673	5.7
116.07113	0.5
117.01998	1.4
118.01258	1.4
120.08099	1.2
121.02853	0.5
121.06492	1.4
123.70734	0.4
123.92142	0.4
129.10187	1.1
130.04985	1.1
130.08632	0.5
136.07590	3.0
144.01122	2.4
145.01524	1.0
146.04482	1.4
146.06052	0.7
147.00993	0.4
147.04404	0.7
155.99002	0.5
156.10353	0.5
157.10506	0.9
159.08385	3.3
160.08728	1.9
161.05869	0.7
162.02213	9.3
163.02519	3.8
163.03960	1.8
164.01726	0.8
165.02087	0.5
169.06194	0.4
177.05507	0.5
185.04198	0.6
188.07162	0.5
190.08560	0.4
201.19145	0.4
211.35974	0.4
218.35640	0.6
219.06720	0.5
227.05280	1.1
233.09346	0.5
234.96942	0.8
237.02763	0.5
247.05777	1.3
250.11845	1.4
252.97955	3.0
259.11206	0.9
260.11444	0.7
261.10815	2.5
262.11081	6.4
263.11502	4.0
271.04306	1.6
279.13721	1.3
280.13992	1.5
305.10025	0.5
323.11020	4.0
334.14972	1.5
365.12079	30.7
366.12057	1.0
376.07828	0.6
409.11047	100.0
410.11011	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81791	0.4
54.58065	0.4
56.96562	0.9
60.04514	0.6
62.46141	0.4
67.05521	0.4
69.03413	1.7
70.06595	3.1
71.11035	0.8
71.11388	0.6
72.08140	1.1
73.28355	0.3
74.06070	0.4
75.66051	0.3
75.80749	0.4
78.04691	0.8
79.05485	1.1
81.03407	1.0
81.07059	0.7
82.06577	0.4
83.04976	0.7
84.04491	0.8
84.08132	1.5
85.02908	4.7
86.09713	1.9
86.73643	0.4
91.05457	1.1
93.07053	0.7
95.04977	0.7
97.02882	1.3
98.97603	0.8
99.04485	0.5
103.05460	0.5
105.01859	0.4
105.07018	0.8
106.04169	0.5
106.61548	0.4
107.05000	0.9
109.02895	0.4
110.07153	0.6
111.04457	0.6
119.04942	0.8
120.08090	1.6
121.06499	1.2
123.04420	2.4
124.05183	0.9
127.03902	0.8
129.10199	0.6
133.06471	0.5
136.07568	0.7
137.05980	0.4
138.89938	0.4
141.06618	0.4
145.04956	0.4
149.05981	1.6
152.04727	0.5
158.99683	0.5
161.06003	0.8
163.03938	2.1
166.06178	0.5
167.07045	100.0
168.07385	1.4
179.07007	0.5
181.08583	1.5
193.08658	3.0
211.09648	13.8
214.15602	0.4
223.97697	0.7
229.10695	8.3
234.96886	0.8
234.98996	1.1
235.97701	0.8
237.02789	0.5
252.97971	2.3
275.97202	0.8
303.05289	0.5
317.09140	0.5
327.70798	0.4
330.98737	0.6
365.11990	0.7
409.10947	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.5
56.96562	8.5
57.07061	2.6
63.17929	0.8
67.05490	7.0
69.03410	1.4
69.07059	2.5
69.34291	9.8
70.06570	1.2
72.08154	1.5
74.02422	1.4
79.05485	11.4
81.03412	2.2
81.07057	6.7
82.06562	2.0
83.04951	1.2
84.08137	100.0
84.96030	4.2
85.02882	1.5
85.06540	1.2
86.09717	1.4
91.05486	7.0
93.07040	9.9
95.04974	4.4
95.08614	1.3
98.20704	1.9
98.97570	18.3
100.04028	0.9
100.07607	2.1
102.09197	1.6
105.07024	7.5
107.04960	3.1
107.08585	4.4
109.06519	3.1
110.97564	5.3
116.98614	12.3
117.07021	3.0
118.05024	1.8
119.04960	1.2
119.08584	2.2
121.06525	2.6
128.98611	7.6
130.07848	1.1
131.00177	1.2
134.99626	4.5
135.11681	3.0
143.00122	2.6
143.08580	1.3
144.98096	1.3
145.10103	7.5
146.04477	4.0
146.99651	4.1
158.99673	3.5
161.01207	5.1
162.99178	2.4
163.03906	2.3
163.11124	5.3
165.00723	1.2
170.99637	2.6
177.00713	5.5
179.03770	8.3
189.00633	2.4
195.01558	1.1
197.04886	6.6
219.01741	11.3
221.04800	10.2
230.10289	4.2
233.05008	1.1
237.02805	22.3
239.05884	5.5
244.40750	0.9
249.04442	1.0
255.03899	1.1
263.05930	2.4
295.67093	1.0
308.14923	1.0
323.07996	40.4
324.08353	1.4
341.09033	39.2
341.13257	2.1
342.09683	1.5
365.09094	14.7
383.09998	4.7
409.08963	21.2
409.18124	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	407.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.1
56.96563	0.7
67.05501	1.7
69.07066	0.6
70.06580	1.8
70.98425	0.6
70.98756	1.2
79.05489	1.2
81.07036	2.0
83.04964	0.5
88.07605	0.8
91.05477	1.7
93.07059	1.5
95.08610	1.4
105.07021	2.5
107.04950	1.3
107.08578	1.2
109.10152	1.5
119.04802	0.6
119.08586	1.3
121.06548	0.6
131.04897	0.6
131.08557	1.1
132.10208	1.1
133.10223	0.8
135.11671	0.5
143.08615	0.5
145.10083	0.6
145.16977	0.5
147.04401	0.8
159.11691	0.8
173.88951	0.6
174.38174	0.6
176.12717	0.7
215.79979	0.5
238.85826	0.5
287.12714	0.5
321.16809	1.5
389.27319	0.6
407.24014	100.0
407.35330	11.2
408.24399	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	407.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.6
55.57564	0.4
57.03432	5.5
57.07071	7.7
67.05495	2.6
69.07049	0.9
69.46809	2.1
69.47214	1.2
71.08623	5.4
80.40856	0.4
81.07047	3.6
83.08613	1.5
85.10180	2.7
93.07033	0.5
95.08608	4.4
97.10179	0.7
98.21456	0.6
108.33328	0.4
109.10165	2.1
111.11858	0.5
113.00008	100.0
123.11688	0.7
131.01045	1.6
139.01593	0.7
154.02675	0.6
155.00993	0.4
166.55367	0.4
169.02599	94.5
170.02959	0.5
213.95906	0.4
239.23660	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2791
Annotation	3-Oxocholic acid
Peak:m/z	Relative Intensity
55.05500	24.0
55.56255	6.5
62.39246	5.5
65.93232	5.6
67.05499	51.4
69.07051	25.8
71.04993	7.9
76.81884	5.5
79.05490	45.5
81.07057	47.2
83.04953	7.2
83.08593	14.2
83.86739	6.1
87.39493	5.5
91.05472	65.3
93.07034	43.2
95.04939	8.4
95.08598	40.6
98.21513	11.3
103.05442	7.1
105.07024	67.8
107.08577	25.6
109.06487	8.3
109.10116	12.4
117.07003	18.4
119.08576	51.7
121.06479	6.1
121.10137	19.6
129.06979	16.6
131.08559	48.6
133.06465	7.2
133.10127	21.0
136.53697	5.7
143.08592	15.1
145.10117	27.2
147.11752	8.3
151.07417	6.7
155.08623	11.3
157.10078	11.6
159.11731	9.8
169.10161	11.0
171.11694	8.7
187.11096	9.3
197.13315	15.3
209.13402	7.9
225.16296	6.1
247.16925	8.3
261.18411	7.0
325.25186	8.7
335.23572	8.5
343.26004	9.1
353.24820	34.4
371.25732	48.4
389.21924	8.6
389.26831	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58958	0.3
53.03950	1.4
54.03472	1.4
55.01874	0.6
55.05510	4.3
57.03428	0.8
57.07069	0.7
65.03940	2.8
67.04251	11.3
67.05508	8.0
67.05869	0.5
69.03435	0.6
69.07071	3.1
70.06587	0.4
71.04994	0.4
72.04519	1.1
74.02447	3.9
79.05497	18.2
80.05029	3.7
81.03421	1.3
81.05809	0.3
81.07059	9.5
82.02965	0.7
82.06583	100.0
83.04987	5.4
83.06920	1.3
85.06596	0.3
86.09744	0.4
91.05069	0.2
91.05483	11.2
93.05803	1.9
93.07048	15.5
95.04976	6.3
95.08619	0.9
99.05585	2.5
100.03967	1.7
100.07623	8.5
100.08270	0.6
103.05478	1.0
105.04527	0.5
105.07025	6.2
106.06551	0.3
107.04962	5.5
107.08595	7.4
107.09282	0.5
108.08116	0.5
109.06527	5.8
110.06058	0.6
115.05476	0.7
117.05772	0.5
117.07028	6.1
118.05033	2.9
118.06532	0.4
119.08588	3.5
120.08160	0.4
121.06509	4.6
121.10159	0.6
128.03453	0.3
128.06250	0.4
129.07033	0.5
130.07816	2.1
132.08093	0.4
133.10156	0.9
135.06883	0.4
135.08061	0.9
135.11696	5.9
136.07594	1.5
143.08597	1.1
145.06084	0.7
145.10129	11.2
146.04488	10.6
152.10748	0.4
163.07155	5.6
163.08362	0.4
163.11195	11.5
164.07100	0.6
167.07056	0.3
180.13933	0.3
181.09749	0.3
198.11246	0.5
210.07680	0.9
216.13939	0.3
226.10767	0.4
228.08658	0.7
243.13480	0.4
244.13319	0.3
280.15652	0.7
307.16605	0.4
308.15021	1.0
325.17590	6.6
326.17902	0.4
375.10672	0.5
389.20740	0.6
407.17038	0.6
407.21793	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92541	0.2
53.03940	1.1
54.03464	1.0
55.01859	0.8
55.05510	3.5
57.03417	0.5
57.07069	0.4
65.03929	2.2
67.04245	12.3
67.05166	0.5
67.05498	5.2
69.03416	0.8
69.07072	2.3
69.57623	0.7
69.58048	1.4
70.06602	1.5
71.04977	0.5
72.04520	1.3
72.08167	0.3
74.02438	3.7
75.64672	0.3
79.05486	9.1
80.05017	3.3
80.35781	0.3
81.03420	1.6
81.07050	4.9
82.06575	100.0
83.04971	0.9
83.06919	0.7
84.04501	1.0
84.08138	0.9
84.89310	0.3
85.02893	1.0
86.09702	2.0
88.03996	0.4
91.05477	6.0
92.04964	0.3
93.03377	0.6
93.05784	4.7
93.07042	6.8
94.06563	0.6
95.04952	3.5
95.08611	1.1
100.03979	2.3
100.07607	12.8
102.05538	0.4
103.05461	1.0
105.04530	0.3
105.07027	4.8
106.06560	0.6
106.07257	0.3
107.04951	4.4
107.08578	3.5
108.04507	0.3
108.08109	0.8
109.02838	0.4
109.06517	1.8
109.10165	0.4
110.06065	0.7
110.07209	0.4
115.05475	0.7
117.05769	0.3
117.07003	3.3
118.05000	2.3
118.06535	0.7
119.04932	0.5
119.08593	2.2
120.08094	1.6
121.06497	2.4
121.10155	1.0
122.06044	0.3
123.04406	0.4
127.03946	0.4
129.07007	0.6
129.10272	0.3
130.06596	0.3
130.07756	1.4
131.04898	0.4
131.08569	0.5
133.10132	0.7
135.06795	1.3
135.08058	0.3
135.11667	1.9
136.07570	2.2
137.05949	0.7
138.05505	0.4
138.09087	0.3
141.06989	0.7
143.08641	0.8
144.08089	0.4
145.10132	4.9
146.04483	7.0
146.05847	0.6
146.06035	0.5
148.07564	0.5
151.07562	0.4
152.10695	0.4
153.08043	0.3
154.08604	0.5
159.08093	0.3
161.06026	0.4
161.09656	0.4
163.11171	10.6
164.07077	0.7
166.08609	0.4
167.06973	0.5
169.06517	0.4
173.13185	0.3
177.05551	0.3
180.13840	0.3
181.04984	0.5
187.07674	0.3
190.12305	0.5
198.11256	0.5
210.07539	0.4
215.07022	4.9
216.07285	0.3
216.13918	0.6
228.08698	1.0
234.14943	0.4
244.13379	0.5
258.99774	0.3
262.14429	0.8
280.15424	3.7
308.14941	2.1
389.20801	0.6
407.13028	0.4
407.21622	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93358	0.3
51.02387	0.4
53.03935	1.4
54.03461	1.2
55.01887	0.3
55.05505	4.5
55.99909	0.3
57.03429	0.3
57.07061	0.7
64.56512	0.3
65.03934	2.7
67.04241	11.9
67.05499	6.7
69.03424	0.5
69.07066	2.7
69.31458	0.8
69.31878	2.8
70.06588	1.7
71.05000	0.7
72.04512	0.7
72.08151	1.5
74.02439	2.5
79.05487	16.5
80.05009	3.5
81.03404	1.9
81.07053	8.8
82.06575	100.0
83.04971	1.0
83.06123	0.4
83.06919	1.1
84.04511	1.0
84.08136	0.7
86.09692	1.8
91.04900	0.3
91.05474	9.9
93.05782	2.3
93.07041	14.0
95.04961	5.3
95.08607	1.0
98.20716	0.6
100.03982	1.0
100.07615	11.7
101.07977	0.3
103.05465	1.0
105.04543	0.4
105.07024	5.4
106.06569	0.5
107.04961	4.8
107.08595	5.4
108.08140	0.4
109.06513	5.3
110.06018	0.5
115.05486	0.8
115.48782	0.3
117.05722	0.3
117.07018	5.1
117.10258	0.5
118.05011	1.2
118.06485	0.3
119.08595	2.2
120.08101	1.1
121.06514	4.0
121.10126	0.6
128.03490	0.3
128.06242	0.5
129.06998	1.0
129.10239	0.5
130.07794	2.4
131.08522	0.5
133.10141	1.5
135.06841	0.4
135.08076	0.4
135.11694	5.2
136.07581	1.1
143.08571	0.8
145.02864	0.8
145.10114	8.8
145.11269	0.5
146.04488	4.9
148.07549	0.6
163.11191	8.6
163.12546	0.6
164.07111	0.7
182.08115	0.4
187.10764	0.4
196.14546	0.3
210.07703	0.5
226.10762	0.4
227.10277	0.5
228.08606	0.8
262.14453	0.4
280.15601	0.9
290.13828	0.6
308.14960	0.8
389.20947	0.7
389.79993	0.3
407.21710	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23200	1.4
53.03937	4.8
55.01857	3.4
55.05503	14.4
57.03427	2.7
57.07069	2.9
65.03922	2.9
67.05502	23.1
69.03411	1.7
69.07062	14.3
69.73367	1.5
70.06568	2.1
70.67700	1.4
71.04992	2.7
71.59378	2.2
72.04499	8.9
72.08167	1.9
73.02910	1.8
74.02436	30.3
76.00426	1.4
79.05486	54.2
80.32188	1.5
81.03415	10.9
81.07051	31.7
82.02936	7.6
82.06565	3.1
83.01304	2.3
83.04976	83.9
83.78294	1.3
84.04479	1.5
85.02908	2.3
86.09693	2.5
91.05479	33.1
91.06026	1.1
93.07037	51.2
95.04969	19.7
95.08588	4.2
97.06549	3.1
99.05572	35.6
100.03969	17.4
100.07622	1.8
103.05444	3.7
105.07032	19.0
107.04952	23.2
107.08585	30.8
109.06520	21.0
114.20954	1.4
115.05415	2.2
117.02792	1.7
117.07066	17.9
118.05034	19.1
119.08582	14.3
120.08071	3.1
121.06508	17.4
121.10153	3.2
128.06226	1.7
129.07013	1.8
130.07796	7.4
133.10098	6.3
135.08043	3.2
135.11682	26.6
143.08559	1.8
145.06079	15.4
145.10117	41.1
146.04474	94.5
152.10661	1.8
162.12700	2.9
163.07135	83.8
163.11166	39.9
180.13864	2.7
191.08180	1.8
198.11311	3.9
218.07602	1.9
226.10796	2.0
243.13461	9.5
261.16006	5.1
268.35855	1.6
285.67410	1.4
307.16440	8.6
308.14835	1.8
325.17569	100.0
326.17914	3.1
407.21176	1.8
407.33823	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51487	1.0
52.40684	0.9
53.03938	2.6
55.05507	2.5
56.05019	2.5
57.03432	1.2
57.07063	1.0
63.40033	0.9
65.78111	1.1
66.92573	1.0
67.05502	11.3
69.03426	34.6
69.07060	7.4
70.06582	3.9
71.04955	2.2
71.59648	1.7
72.08141	1.5
76.02225	1.4
79.05492	23.3
81.03416	23.2
81.03870	0.6
81.07056	13.6
83.04946	2.8
83.06093	4.9
84.04498	63.5
84.08132	3.3
85.02890	4.2
86.06023	1.4
86.09696	12.1
91.05476	13.8
93.07042	22.9
94.06624	1.2
95.04967	9.3
95.08611	1.4
97.06529	1.3
98.06000	1.6
99.04449	20.9
101.07129	8.0
102.05552	4.4
103.05432	2.2
105.07010	11.1
107.04950	10.6
107.08591	14.1
109.02889	1.5
109.06503	11.1
110.07142	1.6
114.05511	2.6
115.05460	1.1
116.07072	2.0
117.07008	9.3
118.06483	1.4
119.08556	5.7
120.08099	12.5
121.06504	10.2
121.10113	2.8
122.06004	2.3
129.06555	5.0
129.10199	1.2
130.04997	100.0
130.07750	2.9
131.08572	1.3
132.38008	0.9
133.10132	3.0
135.11696	10.5
136.07559	9.3
142.04977	2.0
143.08571	1.5
145.10112	16.5
147.04454	1.7
147.07634	52.8
155.52791	1.0
162.12772	3.4
163.11166	14.6
164.07086	11.2
166.08665	7.2
179.04861	1.7
180.13881	1.8
182.08130	3.1
183.75171	1.1
184.45769	1.0
196.14430	4.6
197.12859	2.4
203.35991	1.1
210.11336	1.2
211.13292	1.9
214.15479	2.6
224.13954	2.3
227.14005	5.0
242.15007	1.5
250.10646	5.7
263.17548	3.0
264.15936	1.2
268.11615	2.6
291.17001	4.5
292.15536	1.8
309.18073	75.7
310.18344	2.9
389.13440	1.1
389.21484	2.5
407.13556	1.3
407.21909	2.9
407.84647	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44932	4.6
50.88712	3.5
53.03939	5.2
55.93518	11.9
56.05026	5.8
56.96562	8.5
59.05004	12.7
60.04514	4.3
65.03974	4.2
67.05488	4.6
68.05013	13.8
69.03427	33.1
69.03739	5.8
70.06595	23.0
70.07366	16.4
70.07782	7.0
72.04488	5.7
72.08145	5.5
74.02429	13.2
77.36555	3.7
81.03411	18.6
82.02939	8.7
82.06579	42.9
82.83532	4.1
83.04957	12.2
84.04491	36.3
85.02895	7.8
86.09737	8.2
88.03992	58.2
90.94849	4.5
91.05469	5.4
96.04477	14.0
97.63778	4.4
98.06058	7.7
98.20833	8.0
99.04449	17.1
99.05575	10.0
100.03981	14.1
102.05543	13.9
107.04976	4.8
111.04443	7.7
111.05563	19.4
112.04005	5.9
116.07128	6.2
118.04990	13.0
121.02857	4.9
129.06657	6.2
130.04996	74.1
133.02798	5.4
135.04436	7.9
136.07542	4.8
139.62526	3.8
139.94556	4.0
143.00168	3.8
146.04477	100.0
146.15858	4.6
148.62387	4.1
157.06067	40.3
158.04501	14.2
158.97273	3.9
161.01277	6.0
163.03888	24.6
175.07147	95.9
182.08208	5.8
205.96652	13.0
207.98367	4.9
209.81596	4.7
210.07489	5.0
213.12314	10.1
216.95639	5.0
217.96680	5.9
223.97650	19.3
224.98483	6.0
225.00813	7.2
227.10260	21.5
228.08659	18.4
231.13445	7.9
232.97391	10.3
234.96873	33.3
235.97629	32.7
236.98187	5.0
242.10223	6.4
249.95456	7.1
250.98441	18.0
251.97044	26.5
252.97934	76.1
253.00346	8.2
253.98669	8.5
259.12885	39.7
265.94888	4.7
266.95978	4.7
267.96606	7.8
275.97141	77.1
277.13907	43.0
301.98511	9.0
302.99570	14.4
343.99783	8.9
357.16638	6.1
362.00705	17.3
380.01794	7.0
407.02444	7.2
407.15475	9.4
424.88727	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	6.3
56.05028	9.1
56.96554	4.4
59.05002	6.0
67.04247	8.0
67.05489	7.3
68.05009	6.3
69.03425	14.6
70.06577	11.4
70.31126	5.9
70.31530	9.0
72.04515	5.8
74.02416	10.6
80.04983	4.4
81.03420	21.6
82.02941	5.4
82.06117	6.0
82.06577	100.0
83.01321	3.1
83.04982	4.9
83.06095	6.2
84.04502	22.6
84.08131	4.1
85.02893	4.8
85.06513	4.3
86.09713	4.2
88.03989	53.2
91.05445	3.7
94.06581	14.6
96.04477	9.0
97.06541	4.0
98.06063	6.3
98.97577	5.6
99.04424	11.2
99.05538	4.1
100.03951	9.0
100.07620	10.5
102.05518	11.2
104.88339	3.1
109.02871	3.3
110.06075	3.7
111.05537	8.9
112.07603	9.5
114.05498	3.9
116.07092	8.1
116.98559	4.7
118.04993	7.3
120.08088	4.8
130.05005	60.5
134.99651	4.0
136.07558	4.7
137.05989	3.4
146.04465	45.9
157.06044	28.9
158.04507	19.4
160.85356	2.9
164.04515	3.4
166.08591	5.0
167.07039	4.0
171.56967	2.9
175.07141	63.8
175.65697	3.0
182.08188	4.2
213.12338	8.7
221.04907	4.0
227.10268	9.7
227.85324	3.0
228.08630	10.0
231.13554	4.3
234.98936	3.2
239.10255	34.2
245.20670	2.9
252.97874	4.6
255.09634	3.2
257.11258	3.9
259.12790	22.0
277.13947	12.0
321.06232	3.9
375.17334	5.1
406.51871	3.1
407.09396	4.1
425.44504	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	407.1487
Annotation	Asperlicin C
Peak:m/z	Relative Intensity
53.03940	0.9
55.01863	1.3
55.05524	0.6
56.96560	1.0
64.66014	0.7
65.03924	1.0
66.40186	0.6
67.05486	2.5
68.30807	0.6
68.99767	1.2
69.03416	1.0
69.07063	1.6
69.73373	3.7
71.04971	0.7
79.05475	2.4
81.03394	0.9
81.07064	3.5
83.08611	0.9
85.02883	1.1
91.05486	4.1
93.07041	1.8
94.04201	3.3
95.04987	2.9
95.08577	1.8
98.21540	0.6
98.97568	0.7
103.05468	1.1
105.07034	2.1
107.04276	1.1
107.04951	13.2
107.08611	1.4
109.06521	1.6
109.10149	1.3
111.04434	1.0
115.05443	2.2
116.98559	1.0
119.04926	1.7
119.08583	1.9
121.06508	1.7
121.10138	0.9
122.03657	7.7
123.04428	13.3
123.11650	0.7
129.07004	1.1
131.04913	3.2
135.04411	7.6
137.05971	100.0
138.06316	2.0
141.06976	1.1
143.04857	0.6
144.05754	1.2
145.06534	0.7
145.10031	0.8
146.03654	0.8
147.04410	3.2
149.05971	1.6
151.03868	0.7
151.07552	1.0
152.06180	0.7
153.06982	1.2
155.08466	0.9
157.06529	1.7
161.05988	3.4
162.06769	0.9
165.06982	1.7
167.07091	0.8
167.08553	1.6
169.06407	1.4
171.08051	2.1
173.06010	1.0
177.06956	1.4
178.07788	1.6
179.08551	1.8
181.06520	4.5
182.07304	1.3
183.08086	1.6
184.05200	0.8
185.06009	1.1
185.13155	0.6
189.06924	1.4
191.08542	1.2
193.06531	1.2
194.07263	1.6
195.08064	3.8
197.05983	1.6
198.06770	2.0
199.07523	2.5
202.07593	0.8
205.06491	2.1
206.07245	0.9
207.07993	4.0
210.06749	2.0
211.07550	2.2
213.05525	1.3
213.09061	1.1
218.07249	1.1
219.08037	2.2
221.05959	1.4
222.06929	0.8
223.07538	4.6
224.08331	0.7
225.09155	2.1
226.06264	2.3
227.07018	2.2
234.06714	1.2
235.07504	4.7
237.09149	1.7
238.06194	0.8
239.07001	5.7
241.08562	5.6
245.07965	3.4
247.07545	2.0
251.06976	0.8
253.08588	19.3
254.09335	8.5
265.08560	6.4
266.09329	0.8
267.10101	2.2
283.09430	1.0
303.10324	0.7
305.11755	0.8
329.11810	0.9
340.10645	0.7
357.11258	2.1
358.11655	0.8
374.11118	1.4
377.13794	35.9
378.14218	1.7
389.13705	7.2
407.14896	2.6
407.19870	0.8
407.25146	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01864	4.8
55.05502	5.4
56.05030	9.1
57.03441	8.2
57.07062	1.5
58.99584	14.0
61.02917	2.6
67.05493	9.1
68.05029	1.6
69.03416	7.5
69.07064	5.9
70.06593	10.9
71.04987	2.4
71.59998	2.7
72.08144	5.8
73.01116	2.1
73.03713	1.6
74.00674	2.7
76.02216	22.7
79.05491	14.1
79.52113	1.4
81.03412	25.4
81.07054	23.0
82.06595	2.4
83.04973	3.3
83.06090	2.2
83.08614	4.6
84.04495	28.1
84.08130	9.3
85.01145	3.2
85.02899	13.3
85.06538	26.7
85.07644	1.8
86.00645	4.3
86.06053	3.1
86.09694	15.5
86.99055	8.1
87.02677	6.3
87.04467	2.8
91.05477	10.3
93.07038	8.6
94.06587	3.0
95.04959	10.5
95.08609	5.5
97.02872	5.1
97.06528	4.9
98.06017	2.7
98.09702	9.5
99.08099	4.7
102.05535	7.4
102.73466	1.6
104.07117	2.0
105.07021	8.6
107.04955	13.0
107.08611	8.1
109.02840	2.1
110.07151	3.0
110.09669	1.9
111.04449	4.1
111.08094	2.7
112.03954	3.4
112.44920	1.6
113.04218	5.7
115.05809	1.6
116.01669	22.4
116.98608	1.7
117.07024	1.9
119.04953	1.6
119.05933	1.7
119.08555	7.8
120.08080	3.8
121.06497	2.6
121.10117	5.8
122.02728	3.6
122.09670	2.7
123.04410	4.0
123.08033	3.6
125.05973	1.9
127.03906	3.6
127.05761	1.8
128.87343	1.7
129.06889	2.0
129.10211	5.0
130.04987	9.0
130.06819	3.5
130.08594	1.7
131.08551	18.1
132.10184	3.5
133.10164	2.0
136.07576	5.6
137.09607	2.3
142.03203	2.0
144.01122	9.2
145.10052	8.8
147.08043	1.8
147.11639	2.5
149.09610	18.7
156.08380	19.2
156.10274	8.9
157.06802	11.1
162.02208	24.0
163.03943	2.5
163.11157	5.5
165.09117	3.1
167.06995	3.0
167.10709	8.1
173.09563	1.7
174.09489	14.2
175.11169	2.2
177.05377	2.1
179.04836	11.7
191.10657	19.8
193.12238	17.5
200.13646	2.4
209.11696	27.7
210.11298	2.9
215.07002	2.3
216.06918	7.2
227.12755	37.1
244.09451	2.2
247.10904	2.2
259.11105	100.0
260.11725	2.2
267.15915	10.3
285.16858	3.0
313.12085	3.9
331.13254	5.6
362.11850	4.3
388.23227	6.2
406.16016	3.6
406.28009	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.0
55.05500	1.6
56.05036	7.2
57.03433	4.8
58.99585	9.9
61.01152	0.7
67.05518	0.6
68.05020	1.4
69.07063	1.4
70.02959	0.7
70.06571	0.9
71.50951	0.9
73.01125	1.5
74.00653	1.6
76.02230	20.8
76.02668	1.0
76.03991	2.6
79.05486	3.7
80.05035	1.2
81.07054	15.8
82.53404	0.6
83.06118	2.2
84.04507	24.1
84.08139	1.1
85.01126	3.3
86.00634	4.5
86.99045	5.8
87.02692	5.7
88.02211	2.3
93.07039	1.0
94.06561	1.1
95.08606	2.9
96.08125	1.3
97.06512	1.6
98.09096	0.8
98.09697	10.9
99.05574	1.2
99.08103	4.1
101.00606	0.6
102.05544	4.2
105.07003	1.1
110.09680	2.0
111.08076	0.8
112.03973	3.3
113.04245	5.0
114.03712	0.9
115.05782	1.4
116.01681	21.9
122.09632	1.1
127.05775	1.8
129.06587	2.5
129.07419	1.1
130.05000	7.7
130.05989	0.9
130.06837	3.6
130.08633	1.8
139.05766	1.3
142.03215	2.3
142.04970	0.6
143.02721	1.1
144.01167	8.0
145.06007	1.6
156.08423	17.6
156.10197	11.4
157.06821	8.1
162.02211	18.6
174.09476	12.5
175.93756	0.6
179.04857	8.7
187.05263	0.8
189.03314	1.5
196.76003	0.6
210.11217	2.3
216.06882	5.7
223.86804	0.6
233.05946	2.0
242.08363	0.9
245.05966	1.1
259.11118	100.0
260.09091	1.0
260.11441	2.6
277.12198	1.0
285.12732	1.3
308.09067	1.1
313.12186	3.5
331.13217	5.0
388.15494	1.4
406.16702	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	405.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65556	3.0
53.03937	9.3
55.01867	7.1
55.05509	39.1
56.96548	3.7
57.03433	3.5
59.04962	3.0
65.03945	3.1
67.05168	5.3
67.05499	65.7
69.03452	3.2
69.07063	38.2
71.04984	9.8
71.59372	5.9
72.50339	2.8
79.05484	64.4
81.07050	70.0
83.04971	7.9
83.08613	37.0
85.06537	5.3
91.05469	99.6
93.07034	60.3
95.04967	12.0
95.08599	45.4
97.06535	6.4
97.10168	11.1
99.04368	3.2
103.05486	3.9
104.99261	4.1
105.07018	62.2
107.04931	15.3
107.08572	30.6
109.06503	8.0
109.10168	12.8
109.90624	3.0
111.08070	9.0
115.05460	10.1
116.06245	5.0
117.07003	58.8
119.04926	4.4
119.08572	31.9
121.06512	10.5
121.10133	26.5
123.08062	6.8
125.09572	3.9
128.06223	13.6
128.15826	3.4
129.06995	65.3
129.09113	4.3
131.04942	7.2
131.08556	100.0
133.06473	9.9
133.10104	21.8
135.08067	10.2
135.11702	8.6
137.09656	4.7
139.11166	9.4
141.06953	23.3
141.09123	3.1
142.07748	8.5
143.08545	53.8
145.06487	11.2
145.10120	27.0
147.08022	11.4
147.11703	7.3
149.09599	7.3
153.06903	6.3
155.08534	35.8
156.09286	4.2
157.06490	5.4
157.10097	24.2
159.08099	6.8
159.11665	20.4
159.12860	3.1
161.05988	6.9
163.11189	5.3
167.08575	13.4
169.10141	19.7
171.08119	3.7
171.11702	17.4
173.09573	3.9
175.09720	7.2
175.11111	6.5
177.12747	5.6
179.08539	8.9
181.10127	15.8
183.11732	11.1
185.09709	3.9
185.13200	11.2
187.11130	5.9
189.12770	3.4
193.10162	6.6
195.11774	15.3
195.13461	4.2
197.13268	10.2
199.14906	4.1
207.11742	6.9
209.13319	12.4
211.11372	4.0
211.14835	8.9
213.12743	5.1
213.16281	3.6
221.13222	15.2
223.14893	19.2
225.12668	4.5
226.32732	3.4
233.15372	14.1
235.14851	5.9
239.14288	9.7
241.15956	7.6
245.15352	5.3
247.17126	5.9
253.15800	5.5
257.15302	10.1
259.17075	5.3
271.16922	7.5
275.16483	4.4
285.18405	3.9
323.23749	5.2
333.21945	15.9
341.24866	15.4
351.23074	42.8
359.25311	3.8
369.24231	34.3
387.25269	51.6
405.26358	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	405.2632
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03940	11.5
55.01869	13.1
55.05510	39.7
57.03418	7.0
57.07061	5.2
65.03928	3.5
67.05503	84.5
69.03429	38.6
69.07063	33.1
70.91912	6.9
71.01337	2.6
71.04990	11.1
73.02887	3.5
75.35748	2.0
79.05492	73.5
81.03416	41.4
81.07056	100.0
82.07353	2.0
83.04983	19.9
83.08616	16.2
85.02911	12.3
85.06547	4.5
87.04482	3.7
91.05481	73.2
91.23070	2.3
93.07042	78.2
95.04964	18.8
95.08607	66.3
97.02888	14.3
97.06528	11.3
97.10162	7.2
99.04440	9.6
99.08067	3.4
103.03919	2.6
105.04505	2.6
105.07025	78.9
107.04943	11.4
107.08584	49.5
109.02846	10.3
109.06525	14.2
109.10151	26.2
111.04424	16.8
111.08061	5.7
115.03930	3.9
115.05450	6.5
117.07012	42.0
119.08576	60.9
119.25671	2.1
121.06487	9.8
121.09321	3.1
121.10146	42.1
123.04448	5.7
123.08067	12.9
123.11678	7.1
125.05939	2.4
125.09667	2.6
127.03928	15.8
128.06198	10.1
129.05464	6.2
129.06999	29.2
131.08565	55.0
133.06462	11.4
133.10138	37.9
135.04387	2.4
135.08072	12.1
135.11671	24.8
137.05913	2.9
137.09601	6.0
139.11153	4.5
141.06979	8.4
142.07767	6.1
143.08546	24.9
145.06483	9.5
145.10104	45.1
147.08037	13.5
147.11693	29.0
149.05937	2.6
149.09642	10.5
149.13237	12.6
151.07483	5.6
151.11176	4.2
154.07703	2.2
155.08539	9.2
157.06471	5.5
157.10138	20.2
159.08040	6.5
159.11697	32.6
161.05945	2.5
161.09625	11.8
161.13272	16.1
163.07567	4.4
163.11180	8.1
163.14847	4.9
167.08621	5.0
167.37952	2.8
169.10115	10.3
170.10927	2.6
171.08003	5.4
171.11693	16.9
173.09641	5.8
173.13255	20.8
175.07506	3.6
175.11150	9.0
175.14795	5.9
177.09094	3.3
177.12743	4.7
179.14307	4.5
181.10063	6.0
183.11705	11.4
185.09605	5.3
185.13263	15.8
187.11176	6.9
187.14798	9.6
189.09148	2.8
189.12711	6.5
191.10654	4.5
193.10129	2.4
195.11707	3.1
197.09581	3.5
197.13275	8.2
199.11119	5.1
199.14804	9.8
201.12732	3.9
201.16357	2.9
203.10677	3.7
205.12206	2.4
207.13638	2.7
209.13277	5.9
211.11273	3.2
211.14833	4.6
213.12825	4.9
213.16335	4.2
215.14330	3.6
219.13748	2.8
221.15372	2.5
223.14833	2.8
227.14305	4.0
241.19432	3.3
243.13875	2.6
243.21147	2.5
257.18872	3.0
259.20499	3.1
261.22211	2.9
271.20599	6.9
273.22040	4.6
277.21613	9.6
283.20602	3.3
285.18497	3.1
285.22086	5.2
287.23782	3.5
289.21585	9.7
291.23114	4.8
295.20679	2.6
299.20038	3.9
299.23315	3.1
301.21576	17.4
303.23090	6.6
313.21558	7.6
315.23087	7.4
317.24573	3.8
319.22696	10.3
321.60980	2.4
327.23163	6.2
331.22702	3.6
331.26266	2.9
337.34872	2.2
341.24765	12.4
345.24188	6.7
351.23236	10.8
357.24271	3.0
369.24228	39.8
387.25296	39.9
405.26276	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2245
Annotation	Met Arg Val
Peak:m/z	Relative Intensity
55.01855	1.0
55.05499	2.7
57.03422	1.8
57.07079	1.3
61.02904	1.0
67.05485	3.4
69.03419	1.0
69.07049	2.9
71.08643	1.1
79.05483	3.6
81.07053	5.8
83.08614	1.5
85.02886	1.4
91.05473	2.1
93.07033	3.7
95.04950	1.1
95.08611	4.3
104.99265	1.3
105.07018	3.6
107.08588	3.0
109.06520	2.8
109.10166	1.8
110.58542	0.7
111.08092	1.1
117.07062	1.7
119.08551	3.8
121.10127	2.1
123.08064	6.0
123.11726	0.8
131.08604	1.8
133.10086	1.7
135.08066	2.6
135.11664	0.9
137.09630	1.0
143.08586	0.9
145.10135	1.6
147.11655	1.7
149.13158	1.2
161.03015	0.7
165.20459	0.8
169.10191	0.8
175.14857	1.2
177.12852	1.3
179.14325	5.7
195.96706	0.8
245.61765	0.8
289.21759	1.2
319.22900	0.9
324.16431	1.0
331.26285	2.7
349.27429	1.4
377.13196	1.2
387.28928	2.1
405.22482	100.0
405.30078	12.2
406.22833	5.3
429.25198	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.0
55.05499	2.7
57.03422	1.8
57.07079	1.3
61.02904	1.0
67.05485	3.4
69.03419	1.0
69.07049	2.9
71.08643	1.1
79.05483	3.6
81.07053	5.8
83.08614	1.5
85.02886	1.4
91.05473	2.1
93.07033	3.7
95.04950	1.1
95.08611	4.3
104.99265	1.3
105.07018	3.6
107.08588	3.0
109.06520	2.8
109.10166	1.8
110.58542	0.7
111.08092	1.1
117.07062	1.7
119.08551	3.8
121.10127	2.1
123.08064	6.0
123.11726	0.8
131.08604	1.8
133.10086	1.7
135.08066	2.6
135.11664	0.9
137.09630	1.0
143.08586	0.9
145.10135	1.6
147.11655	1.7
149.13158	1.2
161.03015	0.7
165.20459	0.8
169.10191	0.8
175.14857	1.2
177.12852	1.3
179.14325	5.7
195.96706	0.8
245.61765	0.8
289.21759	1.2
319.22900	0.9
324.16431	1.0
331.26285	2.7
349.27429	1.4
377.13196	1.2
387.28928	2.1
405.22482	100.0
405.30078	12.2
406.22833	5.3
429.25198	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1329
Annotation	Saptomycin A
Peak:m/z	Relative Intensity
53.03939	4.4
54.39336	3.0
55.01873	14.6
55.05496	4.8
59.10404	2.9
65.03947	4.8
67.05489	6.3
68.99782	12.2
69.07044	3.2
70.08352	13.6
70.08707	4.9
81.03406	5.2
81.07048	12.2
91.05486	18.8
93.07027	8.1
95.04947	8.7
95.08601	7.4
98.20844	3.3
103.05491	4.8
105.03372	7.8
105.06996	7.3
107.04950	44.3
107.08591	8.4
109.10136	4.8
111.04452	6.6
115.05421	4.7
117.03357	4.2
117.07014	3.0
119.04946	10.2
119.08530	4.6
121.02876	30.1
121.06513	5.8
121.10159	3.4
123.04417	21.0
127.03904	5.5
128.06200	6.4
129.06985	4.2
131.04927	11.2
131.08530	3.6
133.02827	23.6
133.10101	3.3
137.02361	13.6
137.05963	13.1
138.20975	3.1
141.06976	5.3
143.08493	4.0
145.02754	4.8
145.06461	6.0
145.10147	6.7
147.04404	7.0
149.06004	5.8
149.30972	2.8
152.06206	7.5
153.07022	15.5
154.67917	3.2
157.06494	10.0
157.10210	5.8
161.05898	6.7
161.13318	3.7
165.06960	6.9
167.07053	7.1
167.08496	4.4
169.06479	7.7
171.07941	4.7
173.05959	3.9
175.07555	2.9
177.05450	19.3
177.06841	5.6
178.07707	5.2
179.07039	7.1
179.08546	5.0
181.04980	4.5
181.06477	27.2
190.07648	4.1
194.07219	4.5
195.08076	7.0
197.05952	8.0
199.07549	17.4
203.08432	3.4
205.06464	15.8
206.07341	4.6
207.08086	5.0
210.06636	3.6
213.05495	9.8
215.06885	5.8
218.07228	4.9
219.08063	7.3
221.05962	7.6
222.06725	7.8
223.07417	15.5
224.08337	3.8
225.05443	3.2
226.06085	4.0
227.07002	24.1
228.07567	6.2
233.05939	7.0
234.06750	15.7
235.07536	10.2
237.09180	4.2
239.06808	5.1
247.07536	7.7
249.05476	17.8
249.15948	3.2
250.06310	17.7
251.07025	11.7
252.07787	9.8
253.08403	4.5
255.08151	5.2
256.08887	6.3
257.09549	10.5
261.05286	3.4
262.06168	23.1
263.06989	9.5
264.07819	5.9
265.08578	11.2
267.10269	6.3
268.07260	11.5
269.09805	5.2
271.07541	6.1
271.11057	4.6
272.08243	3.3
277.08548	60.3
278.05872	17.8
278.09067	4.0
279.06375	5.3
281.09973	15.5
283.09695	4.5
284.08090	14.2
285.09067	21.3
293.08023	92.3
297.09100	7.3
298.09882	7.4
299.10727	17.7
300.07724	4.2
301.08548	4.4
302.09149	3.2
303.10043	7.0
308.08307	13.2
309.08966	30.4
310.09698	15.4
311.09354	17.3
312.07767	5.1
313.08533	11.4
315.10049	5.2
317.11679	4.4
323.10583	3.5
325.08630	6.6
326.09424	18.5
327.10123	44.0
329.08160	5.5
337.08588	27.2
338.09302	11.4
341.11774	17.0
343.09500	9.7
344.10477	3.3
345.11224	5.6
347.08850	3.1
353.07825	4.9
354.08954	16.0
355.09628	100.0
356.09937	5.8
359.12769	6.6
369.11234	34.3
371.09122	3.8
372.09937	9.2
387.12231	90.8
405.13321	57.6
405.19440	4.0
405.35175	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	405.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.9
56.96562	0.9
67.05479	0.8
69.03415	1.2
69.13721	0.8
70.06587	1.6
71.10355	1.4
72.08134	0.7
72.39565	0.7
75.65129	0.7
77.35944	0.8
81.07027	1.3
84.08138	0.8
85.06494	0.8
86.09673	1.3
95.04936	0.8
102.17172	0.8
107.04968	0.9
116.03452	0.8
118.94717	0.6
119.08495	0.7
122.26466	0.7
125.61723	0.8
146.05966	0.8
167.07072	2.7
171.14647	0.8
181.04970	1.0
183.09200	1.5
184.07599	1.0
185.07014	0.7
189.10219	1.9
197.07074	12.3
197.10751	1.3
198.07690	1.9
198.09309	1.8
199.08646	3.3
202.08623	1.6
210.07727	1.6
211.04935	0.9
211.08644	13.7
212.07179	1.0
212.09242	1.6
213.10268	2.0
223.08632	0.9
225.06581	19.3
225.10118	9.4
226.06996	1.6
227.08144	3.7
227.11743	2.0
229.09738	1.7
230.10703	0.8
235.08650	1.9
239.04474	3.1
239.08141	30.3
240.08810	2.7
241.09625	1.2
243.07536	3.5
245.12823	23.9
253.06097	1.7
253.09724	16.4
254.10411	2.1
255.07632	2.9
255.11212	3.2
257.05606	4.8
257.09180	9.1
258.09698	0.9
263.08157	0.9
267.07642	16.0
268.08340	1.4
269.09204	1.3
271.07397	1.6
271.10739	10.6
273.08798	1.7
275.10233	1.0
281.09192	16.5
283.10837	2.5
285.08731	7.0
286.09418	1.8
289.11862	5.9
293.09100	2.3
297.08630	1.8
299.06799	2.8
299.10223	32.8
299.74588	0.8
300.10602	1.5
301.11728	2.1
304.42764	0.9
309.05130	1.5
309.08673	25.4
310.09134	1.2
311.10266	5.7
317.07739	1.7
317.11282	3.7
327.09729	52.5
328.09946	1.0
329.11282	7.8
331.09119	1.1
337.08109	2.8
345.10785	83.1
346.11127	3.4
355.09131	6.7
373.10275	100.0
374.10596	2.5
377.13412	1.1
387.11731	4.7
405.12891	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	405.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01873	4.0
55.05514	1.0
56.96546	1.1
65.03951	0.8
67.05494	2.3
69.03419	2.1
69.07035	0.8
70.06586	2.0
70.32650	2.6
71.04967	1.6
72.08171	0.8
79.05487	1.5
81.03413	2.1
81.07045	2.4
84.08127	1.2
85.02901	2.7
86.09683	1.6
87.00845	0.8
91.05481	2.4
93.07035	2.1
94.06586	0.8
95.04978	1.4
95.08586	1.9
97.02895	1.3
97.06519	1.4
98.21407	0.9
103.05456	1.6
105.07017	3.0
107.04965	2.4
107.08606	1.1
108.08121	1.9
109.02866	1.4
111.04417	0.9
116.01679	1.0
117.06971	1.6
119.05002	1.0
119.08573	2.8
120.08125	1.3
121.10083	0.9
123.04417	2.4
127.03905	0.9
129.06985	1.4
131.04889	1.2
131.08545	2.4
133.06462	1.6
133.10121	1.4
135.06461	0.8
137.05962	2.9
145.06508	0.9
146.99715	0.9
147.04419	1.8
149.06026	0.9
156.07973	0.8
157.10089	0.8
158.30243	0.8
161.06015	1.8
161.10745	0.8
163.03946	1.2
163.07515	1.3
167.07039	11.3
173.13275	1.0
175.07443	1.0
175.14935	1.2
181.04994	2.2
181.08606	0.8
182.08247	0.8
183.09151	1.9
189.10219	2.7
193.08607	1.2
197.07080	7.3
197.10712	1.6
198.07677	1.1
198.09251	1.6
199.08675	2.7
200.10840	1.2
202.08565	1.4
203.07043	0.9
210.07660	1.7
211.08641	13.1
212.09399	1.6
213.10201	2.9
216.10373	0.9
220.05994	1.0
225.06577	13.0
225.10129	10.1
226.07062	1.8
227.08171	2.2
227.11760	2.7
228.10191	1.8
229.09729	2.2
230.93002	0.9
233.08121	1.2
235.08701	0.9
239.08125	27.5
240.08838	3.0
241.09813	1.1
243.07704	3.6
245.12837	33.5
253.05934	1.8
253.09706	19.1
254.08131	0.9
254.10495	1.1
255.07588	2.5
255.11301	3.7
257.05597	3.2
257.09229	12.9
259.10724	1.4
267.07605	13.0
268.08371	1.4
269.09134	1.0
271.10727	11.6
273.08655	2.0
273.12128	0.9
275.09927	0.8
281.05872	1.3
281.09143	15.9
283.10825	2.4
285.08694	6.6
286.09509	0.9
289.11758	8.6
293.09158	1.7
299.06912	1.7
299.10223	39.4
300.10529	1.2
301.11816	1.7
309.08673	27.5
311.10150	3.2
317.11264	3.5
327.09723	52.3
328.10101	1.3
329.11160	6.5
331.08975	1.2
337.08224	2.7
345.10782	100.0
346.11157	2.1
355.09155	6.8
373.10242	72.5
374.10654	2.8
377.13321	1.4
387.11560	5.3
399.42450	0.8
405.12775	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	403.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01857	0.5
55.05508	8.1
56.96574	1.0
57.05810	0.5
63.40399	0.4
65.83144	0.4
67.05490	0.6
67.15605	0.4
69.03426	1.6
69.07067	1.0
69.95514	2.0
70.06583	4.8
71.04976	0.8
72.08149	100.0
73.02895	0.5
73.08499	0.5
74.06059	0.6
79.05476	0.6
80.48044	0.4
81.03418	2.0
81.07058	0.7
83.06087	0.6
84.04517	1.5
84.08147	2.6
84.39265	0.4
85.02897	3.7
86.09699	39.8
87.00821	0.4
87.10053	0.7
88.03975	0.9
91.05484	1.8
93.07035	0.5
95.04986	0.6
97.02882	1.2
97.73212	0.4
98.97584	1.3
99.04423	0.7
102.05515	0.5
103.05439	0.7
105.01843	1.0
105.02489	0.4
105.06999	0.5
107.04917	0.4
107.08553	0.4
109.02888	0.9
109.06476	0.4
110.06044	0.4
110.07154	0.9
112.08608	0.3
116.07082	1.2
116.98644	0.9
118.77970	0.4
119.04915	2.0
120.09417	0.4
121.06517	1.4
127.03931	1.2
129.01840	0.4
129.10254	2.1
133.06485	0.5
134.04474	0.9
134.99684	0.7
137.05960	0.7
143.11786	27.4
145.04965	0.6
147.04413	2.1
151.80087	0.4
167.07108	0.5
171.11278	16.6
171.12698	0.9
175.03932	2.8
175.07359	0.5
175.10735	0.8
177.00726	0.5
181.05017	0.6
185.16476	0.9
192.04189	0.6
197.16545	0.6
201.12352	1.6
207.06506	7.8
215.10338	0.5
220.99725	0.5
225.07599	2.0
225.15936	4.5
228.06485	1.2
229.11705	0.9
233.11308	21.8
237.02901	0.7
241.07278	0.5
270.18097	4.8
370.34390	0.4
385.20749	0.9
403.15210	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1704
Annotation	Oxostephamiersine
Peak:m/z	Relative Intensity
53.03939	0.4
55.01846	0.3
55.05503	0.4
65.03935	0.3
65.80418	0.3
69.03436	0.4
70.72139	1.0
70.72488	0.3
79.05495	0.9
80.05019	1.1
81.03387	0.3
81.07036	0.5
82.06581	1.2
84.04505	0.4
85.02879	0.5
91.05451	1.8
93.07048	1.2
94.06564	1.3
95.04986	0.5
95.08633	0.8
105.07026	1.3
106.05805	0.3
106.06545	1.0
107.04955	0.6
107.07333	0.4
107.08567	0.6
108.04512	0.4
108.08124	0.5
108.08875	0.3
109.06530	0.3
110.06051	1.3
114.76309	0.3
115.05427	0.4
117.05746	0.6
117.07001	0.9
118.06523	1.9
119.04961	0.6
119.08570	1.2
120.08121	0.8
121.02876	0.8
122.06062	0.4
128.06216	0.9
129.07001	0.9
130.06506	0.6
131.07307	0.8
131.08568	0.5
132.08087	4.4
133.08862	1.1
134.09668	1.8
136.07629	0.4
137.05998	0.4
141.06973	0.6
143.08563	0.5
144.08099	1.2
145.06525	0.5
145.08867	0.6
145.10089	0.5
146.05945	0.4
146.09642	2.4
147.10432	2.7
148.07542	0.5
155.08574	0.9
156.08099	0.4
157.10146	0.4
158.09660	1.2
159.06775	0.3
159.10382	0.3
160.07616	1.0
160.11220	0.4
162.09102	2.5
164.10707	3.9
170.09662	0.7
171.10428	0.6
172.07585	1.4
172.11226	2.8
173.08279	0.4
173.09709	0.3
174.09149	7.1
176.10791	0.3
182.09793	0.5
184.11139	0.6
185.12000	0.3
186.09123	2.6
186.12755	3.8
187.09990	0.9
188.10675	1.6
196.11182	0.4
198.09203	0.9
199.09877	0.9
200.10706	6.3
200.14388	0.9
201.11409	0.4
212.10736	1.4
213.11470	0.4
214.09013	0.4
214.12256	8.9
215.13034	11.5
216.10233	0.9
216.13687	0.8
226.12239	0.6
228.13843	10.3
229.14503	2.2
254.47922	0.3
262.10718	0.8
270.14932	0.5
298.14377	3.0
316.15454	5.7
317.15833	0.5
322.12860	7.1
342.13388	0.4
342.17078	1.9
344.14899	14.6
345.15311	0.6
373.13971	0.5
376.17303	0.4
402.15759	0.4
404.17041	100.0
405.12534	0.6
405.17484	5.3
405.22415	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1703
Annotation	glandicoline A
Peak:m/z	Relative Intensity
53.62261	0.7
57.07115	0.9
67.04230	0.7
69.07069	1.0
70.81406	1.8
79.05487	1.8
80.05004	1.6
81.07063	1.2
82.06576	2.3
83.15020	0.7
91.05473	3.0
93.07038	2.1
94.06537	1.0
95.04942	0.8
95.08611	1.4
104.99250	0.8
105.07029	1.5
106.06561	1.2
107.04950	1.5
108.08090	1.7
110.06043	2.7
117.07034	0.9
118.06539	1.6
119.08589	2.3
119.11680	0.8
121.29053	0.8
122.06034	0.8
128.06195	0.9
129.06987	2.2
131.07314	1.1
132.08095	7.0
132.43369	0.6
133.08839	1.7
134.09660	2.3
137.05989	1.0
143.08566	0.8
144.08099	1.7
146.09634	5.8
147.04390	1.3
147.08084	0.7
147.10448	4.7
148.11194	1.0
155.08530	1.4
158.09659	1.4
160.06116	0.8
160.07538	0.6
160.11162	0.7
162.09119	1.9
164.10678	4.4
171.10385	0.8
171.95807	0.7
172.07607	2.0
172.11194	3.9
174.09190	6.0
186.09184	2.2
186.12820	4.1
187.09674	0.9
188.10727	3.0
198.09212	1.2
198.12869	0.8
199.09923	0.9
200.10718	6.6
200.14339	1.7
201.11378	0.9
212.10713	1.7
213.11534	0.8
214.12271	8.4
215.13062	10.8
216.10228	1.3
216.13428	1.0
228.13831	9.9
229.14485	2.0
234.11314	0.9
262.10721	1.6
271.64911	0.7
298.14346	1.7
316.15399	7.5
322.12845	27.7
344.14868	11.2
345.15097	1.5
404.17038	100.0
405.12769	1.1
405.17355	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	404.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	15.4
57.54106	0.5
70.23040	2.1
71.95265	1.4
72.32726	0.5
93.38284	0.5
94.04195	1.6
98.97578	46.6
116.98617	60.7
122.03644	4.5
134.99655	56.3
136.00067	0.5
137.05971	44.7
138.06276	0.6
140.00163	3.0
145.97086	0.5
153.00711	12.0
158.01270	4.9
169.16093	0.5
176.02365	0.8
176.07112	0.6
179.00186	0.7
197.01152	2.9
198.01959	1.4
208.10152	0.6
211.02737	1.3
215.02235	1.0
220.00461	1.5
224.09615	1.6
226.01544	0.6
226.11130	15.0
227.09398	0.6
229.07352	0.5
230.40555	0.5
235.02769	43.2
236.03094	1.0
238.01416	3.3
241.03856	0.7
242.10703	1.4
244.12180	12.4
249.12837	0.6
252.05504	0.6
253.03831	100.0
254.04105	1.7
267.13806	1.2
268.12213	3.6
271.04886	7.4
276.05429	13.5
280.12210	1.3
286.13205	1.2
329.12967	1.0
344.15308	5.6
362.16364	2.9
404.17419	64.6
405.17776	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.5
55.01875	5.0
55.05504	1.9
56.05026	0.9
56.23483	0.8
60.04530	1.0
63.17159	0.8
65.03924	1.1
67.05501	2.2
69.03420	2.7
70.02763	3.6
70.06595	6.0
72.08155	5.3
73.02924	1.5
78.04710	3.5
79.05495	5.7
81.03413	2.6
81.07058	2.3
82.06584	1.0
83.04977	1.8
84.04507	2.0
84.08141	4.1
85.02916	4.1
85.07664	2.8
86.09715	5.8
87.67232	0.9
91.05485	4.3
91.09532	0.9
93.07041	2.1
95.04967	3.3
95.08621	1.3
97.02885	2.2
97.06551	1.4
98.97579	1.6
103.05441	6.8
105.07017	8.2
106.04169	1.8
107.04955	7.8
107.08616	1.5
108.08124	1.6
109.02872	1.2
109.06490	1.1
109.10173	1.1
110.05979	1.1
110.07130	1.3
110.51610	0.9
115.05453	2.8
116.98562	1.4
117.07028	1.4
119.04926	1.4
119.08559	1.7
120.08121	1.6
121.02825	0.9
121.06522	5.0
121.10122	1.2
122.06837	1.4
123.04429	6.5
124.05194	3.5
125.05984	1.4
127.03911	1.8
129.07027	1.5
129.10249	2.5
130.06493	1.0
131.04897	6.6
131.08603	1.5
133.06522	6.3
135.08032	1.8
136.07588	1.7
137.06023	4.7
137.09528	0.9
139.11130	1.6
141.06900	1.0
143.08556	1.5
145.06483	3.4
145.10146	1.1
145.17763	0.9
147.04414	2.0
147.08000	1.4
149.05980	1.1
151.03883	2.3
151.07541	3.9
152.04706	2.8
153.05562	1.1
157.06479	1.3
157.09987	1.1
159.08012	1.3
161.05997	8.1
163.07530	12.1
164.07043	0.9
165.05473	1.8
167.07042	89.8
171.11748	1.1
173.05991	1.4
174.09129	1.4
175.07545	3.0
177.00739	1.2
177.05566	1.5
177.09143	2.4
179.07043	3.7
180.07903	1.2
181.04959	3.3
181.08615	3.4
181.12321	1.0
182.08156	1.0
183.09164	1.1
184.07596	1.5
184.09731	0.9
187.07478	2.5
189.10324	2.2
193.08652	17.0
196.06238	1.2
197.07106	15.1
197.10861	0.9
198.07736	1.8
198.09273	1.4
199.08704	3.8
201.12346	3.4
203.06944	1.5
204.02977	4.6
205.08644	1.5
209.07024	1.0
211.05280	1.0
211.08690	15.8
212.09346	2.2
213.10246	2.1
215.11792	1.0
216.10254	1.0
219.10103	1.7
222.03975	8.6
223.08551	1.0
225.06612	17.6
225.10194	10.1
226.07063	1.5
226.08905	1.5
227.08197	3.3
227.11859	2.6
229.09732	2.0
233.08141	1.3
237.02698	1.2
238.07249	2.3
239.04500	2.2
239.08153	31.3
240.08940	3.0
241.09758	1.7
243.07677	5.2
245.12851	28.7
253.06299	1.2
253.06877	1.6
253.09718	20.9
255.07620	3.1
255.11275	3.9
257.05539	4.9
257.09198	9.1
259.10733	1.8
267.07669	15.4
269.09164	1.5
271.10831	10.2
273.08685	2.1
273.12387	1.7
281.05994	1.1
281.09192	18.7
283.10840	3.9
285.08694	8.0
286.09290	1.2
289.11838	6.3
293.09076	3.0
297.08701	1.9
299.06894	1.6
299.10251	35.1
301.11945	1.4
309.08679	27.1
311.10370	5.3
313.08298	1.9
317.11270	3.1
323.12726	1.3
327.09750	55.3
329.11292	8.3
331.09137	3.0
337.08124	3.1
345.10797	86.7
346.11023	2.1
355.09143	8.5
355.15381	2.4
369.10947	1.1
373.10306	100.0
374.10538	2.0
377.13293	1.1
387.11322	4.9
405.12640	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	403.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51291	4.9
56.73078	4.5
59.89815	4.7
62.06099	6.4
64.96438	4.0
70.06590	12.3
71.45001	5.5
71.45336	4.7
72.08145	18.6
84.08122	4.6
85.02929	5.1
86.09701	10.1
88.58238	4.0
112.08688	6.3
116.98653	4.8
163.03847	5.7
294.62912	4.7
359.06952	7.4
359.10901	8.0
387.02771	4.8
403.06125	28.3
403.10449	100.0
403.15195	9.4
403.23090	13.3
404.15158	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	403.1387
Annotation	Nobiletin
Peak:m/z	Relative Intensity
55.05510	1.0
67.05486	2.1
71.59945	0.9
71.60342	1.3
77.10496	0.9
79.05495	1.6
81.07054	2.0
84.08121	1.7
91.05509	1.1
93.07056	0.9
95.04951	1.0
99.04454	1.1
105.07016	3.0
107.04962	1.3
117.07018	0.9
127.03931	2.5
131.08560	1.0
133.06454	1.8
133.22580	1.1
145.10147	1.2
159.07826	1.1
162.06723	1.4
163.07571	3.1
165.05501	2.4
167.07042	2.1
183.02913	12.8
185.08134	1.3
186.01636	1.9
193.08656	1.3
211.02428	5.7
229.03415	3.4
231.06841	1.5
232.73718	0.9
244.07353	1.1
258.05316	1.8
259.05951	2.4
269.07962	0.9
299.09122	1.5
301.07123	6.5
309.02914	0.9
312.06253	2.3
313.07053	3.9
315.04965	1.7
327.08612	8.3
329.06604	4.8
329.10172	1.5
330.07312	6.1
343.04562	2.3
345.09659	2.6
355.08087	3.3
357.06027	2.2
357.10144	1.5
358.06668	5.9
373.09186	92.2
374.09561	3.4
387.10516	1.0
388.11484	12.7
392.63397	1.0
403.13892	100.0
404.14285	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	403.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.4
55.01855	2.4
55.05501	3.3
56.96551	1.2
57.07048	1.1
60.42495	1.1
61.38880	1.0
65.03914	1.6
67.05493	2.9
69.03424	4.7
69.07055	3.4
71.59494	1.1
71.59876	1.6
76.51637	1.1
79.05502	6.9
81.03395	3.0
81.07053	100.0
84.04486	1.6
84.08166	1.2
85.02899	10.8
87.00839	2.2
91.05459	4.1
93.07061	6.1
95.04967	1.7
95.08600	10.7
97.02866	2.8
98.97572	3.8
100.11261	2.0
103.05493	1.1
104.99236	1.4
105.01869	7.4
105.07036	3.9
107.04951	4.5
107.08570	2.5
109.02868	3.4
109.10136	1.8
111.04372	1.9
115.73746	1.2
116.98609	3.2
119.08588	3.1
119.86721	1.0
121.02814	1.3
121.06494	1.8
121.10146	1.8
123.04381	2.2
123.11635	1.9
127.03905	6.9
129.01863	1.6
129.06978	1.3
131.04883	1.1
131.08583	2.1
134.99611	1.7
135.11658	2.3
137.05966	1.5
137.13246	31.9
138.13704	1.1
145.04958	1.2
147.11668	2.6
149.05934	1.1
150.69127	1.0
151.03874	1.2
153.05487	1.2
157.10063	1.6
158.99641	1.5
159.11688	1.2
161.13367	1.5
163.07526	2.3
167.07043	6.0
173.01183	1.6
177.00714	2.0
181.04980	3.8
185.09575	1.5
187.07536	1.3
191.02246	2.8
200.14389	1.3
203.06866	1.2
219.01735	1.5
227.14172	1.5
231.05005	2.0
235.85234	0.9
244.99681	2.1
245.15384	2.6
263.16284	1.8
279.13541	4.1
304.96051	1.1
341.60123	1.2
349.16507	2.0
367.17435	2.9
372.11786	2.0
403.13620	2.4
403.27460	4.4
403.32199	1.3
404.16971	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1961
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
53.03931	9.8
54.74236	3.9
55.01859	10.0
55.05494	10.1
56.96558	7.4
59.04999	9.1
67.05505	25.8
69.03412	18.6
69.07071	24.3
70.06573	12.6
71.04997	23.6
71.59088	4.9
72.08135	3.8
74.06081	5.8
79.05492	24.3
81.03396	16.7
81.07052	61.3
83.04980	25.2
83.08578	5.6
84.04504	7.1
84.08129	7.7
85.02899	14.2
85.06521	8.3
86.09690	32.5
87.04463	44.3
91.05488	27.6
93.07037	69.4
94.66906	4.5
95.04961	26.2
95.08623	31.0
97.02896	19.6
97.06551	20.3
99.04422	15.5
99.06437	3.7
105.07011	43.2
107.04958	4.5
107.08582	29.7
109.02815	5.9
109.06508	18.2
109.10141	17.4
110.07212	4.8
111.04483	5.9
111.07345	6.8
111.08073	59.8
113.06022	4.9
115.03885	7.8
116.98647	3.9
117.07027	4.0
119.08592	16.5
120.08052	7.8
121.06516	18.3
121.10116	6.8
123.04400	11.5
123.08073	6.4
123.11704	24.4
125.05972	11.2
127.03852	5.0
129.05492	36.7
129.06970	9.0
129.10246	7.2
133.04938	27.2
133.10126	32.0
134.99590	4.5
135.08057	7.2
135.11644	5.2
137.05992	7.5
139.07520	6.2
142.07660	5.0
143.07039	6.3
143.08519	5.0
143.11850	5.4
145.10097	9.5
147.06508	10.3
147.11678	33.4
151.11182	15.4
155.10680	5.4
157.05006	34.7
157.10179	9.6
165.12743	12.8
167.07027	11.3
167.08458	5.9
169.12234	82.3
171.11630	7.6
173.12932	4.4
175.06017	100.0
175.07460	3.6
175.11131	22.0
181.04922	10.3
189.12741	13.3
191.07031	5.5
191.08563	4.6
193.12263	38.5
199.11229	7.8
207.13591	4.7
211.13277	67.3
217.12294	25.2
229.14377	26.7
235.07379	4.7
235.13274	14.6
245.81631	4.5
253.14337	4.8
297.81961	4.3
320.53964	4.4
327.12341	5.7
357.13113	4.9
367.17651	5.8
375.14426	11.1
385.12531	8.0
393.22433	4.7
403.14276	16.7
403.18967	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	402.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23132	0.3
53.39737	0.2
55.01869	0.4
58.27623	0.2
65.03928	0.3
67.05496	0.3
69.03439	1.2
69.07052	0.4
70.06602	0.4
70.13071	0.5
70.13465	0.7
72.08132	0.2
72.95609	0.2
79.05495	0.9
81.03419	0.5
81.07037	0.5
85.02913	2.2
86.09737	0.5
86.16712	0.2
87.00826	0.7
91.05485	4.4
93.07063	0.6
95.04951	0.2
95.08585	0.3
97.02908	0.6
99.04448	0.4
102.05523	0.3
103.05469	0.4
104.06237	0.7
105.01876	0.6
105.07017	0.4
107.04967	0.6
109.02888	0.8
115.05485	0.4
117.07014	1.5
117.07738	0.2
119.08580	100.0
120.08919	3.1
121.06526	0.2
127.03917	1.2
131.08577	0.2
133.10130	0.6
136.11206	0.4
143.03438	0.3
145.04959	0.5
161.06033	0.4
161.09595	0.4
167.05820	0.2
167.07048	1.4
168.07494	0.3
181.04930	0.4
183.70123	0.2
193.08510	0.3
203.10625	0.3
209.09552	0.4
227.10646	0.4
235.22435	0.3
249.09055	0.3
265.08377	0.3
331.11636	0.3
384.15298	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.05510	8.2
56.05027	1.0
56.56135	0.6
56.96562	1.9
57.05812	1.1
59.89128	0.5
60.04520	1.1
65.03936	0.5
67.05512	0.5
69.03418	1.4
69.07064	4.2
70.02941	1.2
70.06593	4.1
70.42008	1.8
71.05000	0.8
72.08150	100.0
73.08448	0.7
74.06080	0.7
76.04009	0.7
79.05517	0.5
81.03419	2.9
82.06575	0.9
83.04995	1.0
83.06090	0.8
84.04499	1.8
84.08145	3.6
85.02898	2.4
85.04026	1.0
86.09702	41.1
87.05582	6.2
88.04005	0.9
93.07066	0.6
94.06590	0.6
95.04995	0.8
95.06136	0.8
96.08128	1.8
97.02898	1.7
98.02417	1.6
98.97581	2.6
99.09218	1.4
102.05589	0.8
106.02930	2.0
107.04957	0.9
108.08091	0.8
109.02885	1.0
110.02404	0.9
110.06059	2.5
110.07166	6.2
113.10809	0.5
116.07099	1.3
116.98573	2.4
117.05534	0.6
117.10272	0.7
120.08098	0.6
121.06491	0.5
123.04391	0.8
124.03939	3.5
124.07571	4.0
127.03909	0.5
127.08663	4.9
128.98645	1.5
129.10237	2.3
132.10168	0.6
132.75107	0.5
134.99670	1.2
136.07585	2.1
138.06548	0.6
138.09152	1.4
141.10199	5.7
143.04512	0.5
145.02841	0.6
146.99611	0.9
147.04451	1.3
152.06990	0.6
154.08583	0.8
155.08223	0.5
155.11794	4.5
158.99683	1.3
161.09193	0.7
163.03909	2.7
164.11847	1.0
166.08656	1.9
167.07030	3.1
168.07373	1.2
169.09732	10.4
174.39153	0.5
175.07269	0.7
176.01694	0.5
177.00731	1.8
180.06578	1.2
181.04970	0.7
183.11261	3.4
186.12358	5.0
189.12326	9.6
189.13892	0.6
197.09219	8.0
199.10771	1.2
200.13953	7.6
209.13979	1.8
214.11853	45.1
215.05766	0.6
219.01823	1.6
228.13449	5.4
237.02838	3.0
237.13489	1.4
240.08554	0.9
240.12422	1.6
242.01978	0.5
265.15500	0.6
268.08127	1.8
269.11288	1.3
282.18103	6.5
286.14050	0.9
299.08252	0.5
299.20917	0.9
303.16647	2.0
310.17487	0.7
316.08981	0.9
317.09030	4.6
327.20377	3.6
331.11435	1.1
335.10080	3.1
352.12280	0.7
359.10190	1.4
384.15500	1.0
385.20569	0.7
402.13528	0.9
403.10052	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74371	0.2
53.03926	0.4
55.01869	0.2
55.05486	0.3
57.03419	0.2
61.02912	0.2
65.03925	0.4
67.05502	0.4
69.03429	1.2
69.07069	0.4
70.06584	0.5
70.53047	0.6
73.02885	0.2
76.50877	0.2
79.05487	0.7
81.03400	0.7
81.07054	0.5
83.04984	0.2
84.04518	0.3
84.08108	0.4
85.02899	1.9
87.00828	0.7
91.05479	4.3
93.07035	0.6
95.04961	0.5
97.02900	0.9
97.06551	0.2
102.05573	0.3
103.05476	0.7
104.06248	0.5
105.01865	0.8
105.07041	0.2
107.04948	0.4
107.08582	0.3
108.04494	0.4
109.02875	0.9
115.05461	0.5
116.98605	0.4
117.07030	1.3
117.77110	0.2
119.08575	100.0
120.08888	2.4
121.06540	0.2
123.04429	0.2
126.05505	0.3
127.03922	1.3
129.01791	0.2
133.10136	0.5
136.11163	0.2
145.04945	0.7
158.99586	0.3
159.02885	0.4
161.05925	0.3
161.09636	0.9
161.38921	0.2
167.07048	0.9
168.07442	0.3
183.36272	0.2
199.11148	0.2
218.09071	0.2
231.04834	0.3
245.11751	0.3
248.07751	0.3
266.08929	0.2
310.13159	0.3
313.05594	0.2
313.09540	0.2
316.09036	0.2
331.11340	0.6
352.12650	0.3
356.55649	0.2
384.15286	0.7
402.16513	0.3
403.14243	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	17.3
55.01856	20.6
55.05491	24.5
55.05904	9.9
57.03413	10.3
63.80819	8.8
67.05501	30.1
67.25753	10.8
67.26125	9.4
69.03425	20.5
69.07069	28.5
70.06592	14.2
70.72355	31.6
71.04990	21.4
72.08134	13.7
79.05502	51.3
81.03407	25.0
81.07059	53.5
83.04985	45.9
83.08636	9.3
84.08112	8.9
85.02883	37.8
87.00819	9.6
91.05485	45.4
93.07051	69.0
95.04948	34.9
95.08580	33.8
97.02909	13.4
97.06528	67.4
97.08958	10.0
99.04440	21.5
105.07005	72.1
107.04950	55.5
107.08592	42.1
109.02818	11.2
109.06511	68.6
117.06991	20.7
119.04945	36.2
119.08564	20.0
121.06481	39.9
121.10130	15.7
123.04478	10.7
125.05989	73.1
127.03925	15.9
129.06970	12.9
131.08562	29.5
133.06470	13.6
135.11650	10.9
137.05974	16.2
139.07475	12.8
143.06998	34.5
145.04889	11.5
145.06465	18.6
145.10118	95.2
147.07986	11.1
147.11688	19.5
157.08649	16.0
159.08035	25.7
159.11687	43.9
163.11159	91.8
165.12782	14.4
167.07031	80.1
173.09657	53.1
177.12682	19.9
182.07324	10.7
186.06697	10.3
187.11159	78.1
191.10677	33.2
197.09625	12.6
205.12228	75.1
207.06425	15.2
215.10652	100.0
217.08646	31.1
219.07993	32.8
219.10042	19.9
231.10242	10.2
233.11700	74.2
247.07478	13.9
247.09772	17.8
251.12805	21.0
260.19556	14.2
264.07813	22.2
269.07904	12.4
275.07108	12.0
276.07822	10.5
277.08444	12.9
279.09894	14.8
290.09332	14.8
307.09442	16.5
315.08539	44.3
323.12708	15.4
330.11026	38.1
331.11612	15.4
339.12402	13.3
351.12320	29.7
353.10287	16.2
368.12259	14.7
383.14706	83.8
401.15994	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	401.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	11.1
55.01865	10.0
55.05506	16.3
57.03014	4.0
57.03437	12.9
57.07068	8.5
57.68495	3.9
61.02920	13.4
67.05499	27.9
68.77620	4.0
68.99796	14.4
69.03423	45.9
69.07060	52.2
70.06596	15.4
71.05003	28.9
71.10137	12.1
72.08150	11.4
79.05501	30.9
81.03407	38.3
81.07050	48.8
83.04998	10.7
83.08601	12.5
85.02905	49.6
87.00824	28.2
91.05479	31.7
93.07039	43.0
95.04966	22.6
95.08617	30.5
97.02902	35.4
97.06538	8.1
97.10196	5.4
98.97598	7.8
99.04460	10.5
99.08092	14.6
103.03938	13.4
103.05456	6.5
105.01833	12.1
105.07024	36.0
107.04951	36.6
107.08604	29.1
108.52051	4.4
109.02873	20.2
109.06525	36.3
109.10160	31.6
111.04453	9.1
111.08056	6.5
115.03923	14.0
115.05484	9.3
117.07026	11.1
119.08587	45.1
121.06490	27.9
121.10143	18.2
123.04456	11.7
123.08084	13.6
123.11711	19.7
124.05215	5.4
127.03921	18.2
127.11184	5.1
128.06201	6.7
129.01869	9.4
129.06978	13.1
130.07764	4.5
131.04926	8.4
131.08545	27.2
133.06483	20.4
133.10126	10.6
133.69699	4.2
135.04413	6.6
135.08051	10.4
135.11674	17.3
137.05965	10.8
137.09656	21.6
137.13287	5.8
139.11153	6.0
141.06992	8.6
143.08566	15.3
144.05693	8.2
145.04959	6.6
145.06483	8.5
145.10139	24.2
147.02946	6.7
147.08043	17.7
147.11682	10.9
149.13298	6.8
151.07501	6.7
151.11189	16.7
153.12720	14.4
155.08591	9.7
156.05717	10.9
157.10150	10.1
158.07275	5.5
159.08054	21.6
159.11716	9.1
161.05986	8.4
161.13210	6.5
163.03946	6.8
163.11203	7.9
165.12764	18.3
167.07033	100.0
169.06425	5.4
171.08090	5.1
173.09653	21.1
173.13254	7.6
175.07544	5.4
177.05446	6.4
177.12752	16.1
181.04977	8.0
187.07585	10.4
187.14804	5.2
189.12793	7.6
191.07010	9.9
191.10701	13.1
193.08626	6.6
195.13858	15.5
201.03885	7.2
201.12743	5.5
202.06143	8.0
205.06575	7.3
205.08603	18.8
207.06439	10.0
207.13731	5.7
208.05196	11.0
209.07977	6.8
209.11719	8.2
210.06705	5.4
217.08614	22.2
218.07130	4.9
219.08009	19.9
219.10011	10.0
219.13904	7.8
220.08772	10.0
221.06013	8.0
229.08582	7.6
231.05000	8.4
231.08046	10.0
231.10239	5.4
233.09755	8.2
233.15341	5.9
234.06709	5.3
236.04523	5.4
236.08383	9.1
243.13808	17.2
247.07474	17.2
247.09695	16.6
248.08376	17.5
250.06439	4.8
251.10646	5.9
257.02606	8.8
261.09097	9.2
261.14890	16.7
263.07050	6.0
263.10623	10.3
264.07742	14.8
265.08652	14.1
267.06650	10.9
267.11444	5.8
269.08060	9.5
271.09674	10.4
275.07034	14.1
275.10406	4.2
276.07724	12.3
277.05374	5.8
277.08606	13.3
279.06958	4.0
279.10291	15.1
279.15457	4.7
282.08911	12.7
285.10205	5.6
290.09415	11.2
291.10202	16.2
292.07288	7.5
293.08112	14.5
299.08817	5.5
305.08151	5.1
307.09552	17.5
312.28976	6.7
315.08466	49.1
315.11197	5.0
319.09671	8.0
323.12808	19.7
330.10953	53.6
331.11612	11.6
336.09805	8.4
337.10568	10.1
339.12482	10.5
341.11282	16.4
343.11838	15.5
351.12347	30.1
353.10361	8.5
368.12592	12.2
369.10818	15.2
371.15051	6.0
383.14853	95.4
400.39011	5.6
401.12308	10.4
401.17340	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	14.1
55.01865	18.6
55.05510	24.5
57.03421	12.6
57.07064	4.2
59.20337	2.6
61.02912	17.5
67.05509	24.8
68.99789	22.4
69.03424	70.8
69.07068	41.3
69.30584	18.6
69.31011	10.2
70.06584	6.1
71.01328	2.7
71.04985	18.1
72.08150	13.5
73.02911	12.8
73.06509	2.9
79.05488	31.2
81.03412	62.8
81.07050	63.5
83.04960	10.4
83.08604	20.2
85.02898	100.0
85.06545	5.4
86.09703	9.6
87.00824	55.8
91.03900	4.3
91.05474	26.2
93.07043	50.4
95.04967	25.3
95.08601	34.2
97.02892	49.3
97.06522	43.8
99.04451	25.1
103.03910	6.2
103.15553	2.8
105.01862	37.7
105.07034	39.6
107.04292	2.7
107.04954	14.0
107.08582	67.2
109.02876	45.2
109.06525	20.6
109.10143	21.1
111.04431	9.5
111.08090	8.0
113.05991	3.7
115.03899	6.4
117.01844	4.3
117.07004	11.1
119.08566	25.8
121.06476	9.9
121.07273	2.8
121.10135	15.5
123.04428	29.5
123.08040	9.7
123.11698	6.8
125.05962	10.5
127.03910	81.7
128.06232	3.8
129.01837	20.9
129.06978	5.0
131.04903	3.6
131.08600	15.6
133.06493	15.4
133.10129	14.1
135.08037	6.6
135.11678	45.0
137.05974	9.4
137.09598	4.4
137.13263	6.8
139.07513	4.4
141.07021	4.6
143.06975	3.0
143.08525	9.5
145.04942	22.1
145.06445	4.3
145.10114	27.6
147.02879	13.0
147.08067	6.5
147.11700	9.7
149.09601	5.7
149.13261	6.6
151.07515	8.1
151.11171	10.4
153.10199	2.9
153.12732	37.3
155.08432	4.2
157.10056	8.6
157.72205	2.7
159.02910	20.9
159.07950	6.3
159.11691	12.0
161.09583	4.6
163.07535	6.4
163.11179	16.0
165.12700	12.1
167.07065	23.9
169.10110	5.0
171.11406	3.4
173.09593	13.7
173.13220	4.1
175.07521	3.6
175.11194	9.4
177.12761	7.7
179.07018	4.8
181.08582	3.4
187.11183	9.3
189.12781	5.5
191.10539	5.8
192.07967	2.7
193.12318	6.3
197.01212	4.1
197.13268	3.3
199.10991	2.8
201.09113	3.4
201.12743	4.3
205.12256	12.2
207.06429	4.1
208.05307	3.4
211.07545	3.3
213.03885	3.3
215.10611	6.7
215.14276	4.6
217.08566	6.3
219.08067	3.3
219.10269	4.4
219.13846	6.7
225.12770	4.3
231.05020	7.6
231.17004	5.3
233.11609	7.1
235.07690	3.0
243.13832	12.2
245.65201	3.4
247.07520	6.6
248.08208	3.5
251.12843	11.8
261.14804	21.1
263.10590	4.2
267.14557	3.3
269.08044	3.5
271.09708	2.9
275.07019	3.8
279.10114	3.1
279.15906	5.6
290.09427	3.0
291.10144	5.2
293.07983	3.7
297.16833	3.0
307.09525	4.1
308.10269	4.0
315.08505	7.7
316.09354	3.1
321.16785	3.3
323.12793	6.3
330.10812	14.5
331.11688	5.7
337.05142	3.3
339.12234	6.5
347.14822	10.8
351.12332	7.7
365.15805	7.2
368.12762	5.0
383.14648	26.1
401.16653	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	401.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45678	7.3
53.03940	12.4
55.01872	19.5
55.05510	18.4
57.03439	17.1
59.56536	5.7
61.02922	13.1
64.05260	5.5
67.05505	21.2
68.99785	12.7
69.03422	65.6
69.07056	24.1
71.04989	13.4
71.20572	14.9
76.15976	6.4
76.58298	6.8
79.05489	38.8
81.03413	63.3
81.07053	66.1
83.04962	27.0
83.08617	6.3
85.02898	79.0
87.00832	39.6
91.05470	36.5
93.07042	83.2
95.04955	32.0
95.08594	54.3
97.02897	29.7
97.06498	33.5
99.04457	19.4
105.01879	24.0
105.07007	43.1
107.04969	22.3
107.08577	100.0
108.08974	5.5
108.84281	6.3
109.02875	26.9
109.06525	17.7
109.10148	23.3
111.04446	16.0
115.03926	8.3
117.07001	11.1
119.08571	22.9
121.06514	9.9
121.10139	21.4
121.72172	6.1
123.04446	22.5
123.08080	11.9
123.11693	7.5
127.03900	49.7
129.01833	17.2
129.06975	10.9
131.08563	22.1
133.10103	14.1
135.04497	7.0
135.11674	62.5
137.05971	12.6
137.09647	10.8
143.08572	7.8
144.05646	6.1
145.04916	12.7
145.06482	6.5
145.10109	21.9
147.02869	11.3
147.08089	10.7
147.11702	28.3
151.11177	14.0
153.12735	31.5
156.05611	8.5
159.02921	13.4
159.08058	18.2
159.11679	17.7
161.09605	8.2
161.13277	6.9
163.11130	29.7
165.12750	27.0
165.55519	5.9
167.07027	69.9
173.09576	7.7
177.12784	11.7
181.12286	9.1
185.09613	11.6
187.11159	8.5
189.12737	10.4
193.08627	11.5
193.12209	24.7
197.13107	7.4
201.12769	8.0
205.08641	9.6
208.05197	8.7
215.14340	7.9
217.08524	18.1
219.08083	17.0
219.10184	14.6
219.13751	13.4
225.12811	11.0
231.04971	6.1
243.13737	32.5
247.07521	12.5
248.08247	14.3
249.08946	6.8
261.09012	7.8
261.14880	72.9
262.15289	7.0
263.10672	10.1
269.08167	16.6
279.10266	12.1
279.15878	11.1
291.10211	14.0
307.09521	8.5
315.08496	32.2
315.18173	9.1
323.12576	9.8
330.11032	41.0
331.11758	8.8
343.11929	9.1
347.14890	21.4
351.12277	17.8
353.10620	9.3
365.15747	21.1
368.12442	10.0
383.14673	65.3
401.15906	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	401.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.4
55.05508	3.9
56.05022	3.9
56.96577	6.1
57.02964	2.5
60.46077	2.5
61.02913	2.8
68.21336	2.8
69.03434	9.4
69.07080	2.6
70.06248	4.5
70.06590	56.0
71.58643	4.2
72.08150	28.2
79.05495	13.7
80.11949	2.3
81.03410	7.7
81.07063	4.3
84.04487	9.1
84.08132	7.7
85.02922	6.7
86.09703	38.0
88.03965	3.4
91.05472	3.3
95.04967	6.6
95.06087	2.7
97.02842	3.1
98.97578	3.0
105.07030	4.4
107.04956	26.1
111.04442	4.6
115.05435	3.4
116.07100	21.5
117.07002	3.8
121.06482	2.9
123.04379	4.3
124.05199	7.6
125.07151	2.7
129.07005	3.3
131.08571	5.2
135.04332	4.8
137.05923	2.7
141.06770	3.0
144.05713	5.0
145.06467	8.3
147.04396	3.7
156.05684	10.2
159.08002	6.6
161.06041	4.7
163.03876	23.0
165.06940	3.3
167.03423	3.1
167.07028	87.7
167.08406	5.1
173.06064	7.5
175.07455	3.8
175.11945	6.4
178.07762	3.3
181.04977	4.1
184.74969	2.5
185.09227	7.6
187.07295	10.7
190.07790	5.8
191.06932	4.1
191.08530	5.6
193.04970	3.8
195.02821	2.7
202.07803	3.8
203.08632	3.9
205.06706	3.4
205.08546	10.6
207.06416	3.6
208.05121	16.4
213.08728	4.9
217.08537	17.3
218.07268	7.5
219.08064	17.8
219.10114	5.5
220.08705	4.6
221.05963	14.8
221.09631	3.3
224.03107	3.5
225.09021	3.2
229.08633	9.4
231.08105	8.7
232.08888	3.6
233.09648	8.6
234.06729	4.4
235.07564	6.5
236.04631	6.1
236.08354	5.8
237.02774	3.3
239.05321	21.8
245.09677	3.0
247.07513	14.7
247.09734	5.6
248.08354	10.9
249.05453	5.7
249.09308	4.2
250.06094	4.8
251.07071	5.2
251.10651	4.7
254.05692	8.8
257.04343	3.1
259.07495	7.7
261.05521	3.3
261.08975	3.0
262.09885	6.6
263.07047	5.7
263.10663	12.2
264.07727	11.8
265.08594	8.1
267.06592	14.4
269.08044	16.6
271.09711	7.9
272.06693	5.5
275.06955	10.1
276.07861	11.3
277.08597	7.4
279.06799	2.9
279.10181	14.5
281.08011	4.0
282.08820	21.1
290.09409	8.2
291.07120	4.1
291.10095	18.2
292.07220	9.1
293.08032	8.2
294.08731	2.8
307.09601	13.3
308.10437	8.1
309.07477	2.8
309.11142	3.1
310.08218	9.2
311.09174	3.3
311.12735	5.5
313.10751	3.3
315.08597	53.5
319.09607	10.4
321.07571	6.7
323.12842	15.1
325.10718	3.2
328.09445	3.0
330.10947	73.1
331.11664	9.2
336.10083	5.1
337.10736	8.6
339.12515	14.0
343.11734	25.3
350.11426	4.1
351.12283	32.9
352.12817	7.0
353.10297	6.7
356.12695	4.4
368.12607	14.0
369.13287	5.0
371.14816	6.0
383.14865	100.0
387.28967	3.1
401.10236	5.1
401.14578	22.8
401.24738	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	401.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
53.59319	1.7
57.03431	2.3
57.16264	1.9
65.49938	2.0
70.05704	9.5
70.06574	7.6
70.96286	1.6
71.04958	2.3
71.06947	1.8
71.21656	2.0
72.08142	5.1
73.95895	1.9
78.04688	2.9
79.05493	16.4
84.04504	2.0
84.08126	7.3
86.09707	6.1
91.05463	9.5
95.04961	7.3
107.04949	32.7
115.05447	5.2
116.06194	3.2
117.07027	1.9
123.04400	4.1
124.05190	6.9
125.05971	4.5
128.06200	3.3
129.06998	10.5
129.10233	3.5
131.04974	4.1
131.08574	5.4
132.05705	2.1
137.06062	3.1
141.06999	7.4
144.05713	7.6
145.06470	5.5
145.32578	1.9
147.04425	2.4
152.04646	4.7
152.84837	1.9
153.05429	2.5
156.05687	12.6
157.06418	3.8
159.08052	12.6
161.05984	2.9
163.03918	4.2
167.07033	96.9
168.07368	2.2
169.06424	2.6
173.05986	7.6
174.06776	3.2
175.07471	2.7
179.06956	2.9
186.06671	3.9
187.07516	10.2
189.07001	2.1
190.07719	3.1
191.06952	3.4
191.08530	4.5
193.06580	2.2
193.08542	2.6
194.47464	1.9
201.09081	2.5
202.06157	4.3
202.07837	2.7
203.08582	4.3
204.07738	2.2
205.06631	3.4
205.08589	15.8
206.07187	3.5
207.06525	5.5
208.05168	26.6
208.08818	3.9
209.09718	2.1
210.06723	2.4
211.07523	2.8
215.08620	3.9
217.08537	23.7
218.07237	7.2
219.08139	17.3
219.10101	3.8
220.08827	7.0
221.05963	12.2
221.09528	2.4
224.03154	2.6
229.08607	8.8
230.07326	5.2
231.08063	11.1
231.10069	3.0
232.08900	2.6
233.05887	4.4
233.09589	7.2
234.06668	4.7
235.07518	6.3
236.04626	3.7
236.08278	4.8
237.09233	2.4
240.04149	4.1
245.09532	4.8
246.06703	3.5
247.07481	19.0
247.09644	15.3
248.08299	18.2
249.05458	6.2
249.09106	5.9
250.06206	3.6
251.07428	2.3
251.10739	6.3
254.05717	10.1
256.07144	2.6
259.07468	4.6
261.09058	7.4
262.09894	5.1
263.07040	6.0
263.10699	13.5
264.07877	14.5
265.08533	9.7
266.05753	3.2
267.06528	13.6
268.03632	3.4
269.08029	22.2
271.09665	5.2
272.06750	6.3
275.06937	8.4
276.07730	12.5
277.05057	2.0
277.08499	4.0
278.05661	4.3
279.10068	13.0
281.08118	4.4
282.05493	4.3
282.08844	17.7
285.07507	4.2
287.09344	4.2
289.08566	4.0
290.09354	6.1
291.10135	23.8
292.07309	7.6
292.10602	3.7
293.08139	12.1
296.10483	2.8
297.07516	2.3
299.08936	7.0
300.06348	3.0
301.07123	6.1
304.07202	3.3
305.08197	3.8
307.09589	18.9
308.07166	2.2
308.10156	9.4
309.11005	3.6
310.08258	13.1
311.12787	3.5
315.08575	85.4
316.09189	4.4
319.09650	13.8
321.07532	6.0
321.11090	4.8
322.08243	3.6
323.09210	4.2
323.12732	21.5
328.09378	7.5
330.10959	80.6
330.14859	4.5
331.11725	15.5
335.09143	2.1
336.09930	9.6
337.10617	13.8
339.12283	14.4
343.11774	31.6
350.11533	4.2
351.12265	33.7
352.12909	4.8
353.10193	11.5
356.12415	6.4
357.15063	4.0
368.12604	13.8
369.13251	4.5
371.14819	8.0
383.14871	100.0
384.15204	3.4
401.15833	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	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42790	3.7
55.01871	17.1
56.96557	3.6
67.64577	3.3
69.07061	6.2
70.06588	3.3
70.87717	3.0
71.38584	3.9
71.38918	3.6
79.05492	11.9
81.03412	5.1
81.07051	5.0
91.05483	15.4
93.07056	6.6
95.04971	9.7
95.08611	4.9
98.97598	3.5
103.05472	21.2
105.07047	19.4
107.04954	73.1
107.08590	5.0
115.05499	6.2
117.03385	4.4
117.07056	4.4
118.04111	4.7
119.08586	4.7
121.06517	14.3
123.04411	7.2
128.06181	4.8
129.07002	3.6
131.04932	29.2
133.06494	65.4
134.99742	4.9
137.05980	4.6
145.02832	10.1
145.06474	7.2
145.10092	3.8
147.04369	7.6
147.08069	11.3
149.05995	23.9
153.05551	3.1
153.52834	3.5
154.06195	4.5
161.05991	11.7
163.07542	5.9
165.06985	4.5
167.07028	35.1
173.05948	3.6
175.07507	5.6
176.04698	10.4
177.05463	42.1
179.08516	3.8
181.10152	3.9
183.08098	4.1
187.07516	4.4
191.07048	37.0
191.08594	6.5
194.07356	7.5
195.76013	3.9
199.07549	5.1
203.08592	5.9
205.06508	4.1
206.07343	4.4
208.08868	11.8
209.08040	64.6
209.09547	5.4
217.08563	5.1
218.07233	4.4
219.08113	5.4
220.08994	4.7
221.05939	4.9
222.06735	7.7
231.08171	6.0
233.06001	9.5
233.09677	6.3
234.06779	6.5
235.07481	5.1
235.11292	6.5
236.08347	13.5
237.09120	41.1
245.09621	3.6
247.07513	8.6
248.08372	9.3
249.09016	3.5
250.06288	5.0
253.08644	4.0
254.09453	14.0
259.07489	9.1
261.08798	4.2
262.09839	6.1
263.10617	25.0
265.08682	33.2
269.08054	4.5
276.07843	3.5
279.10083	4.8
281.11694	3.9
282.08865	24.1
283.09320	3.6
284.10641	4.2
290.09409	5.1
291.10193	22.7
297.11215	100.0
308.10455	12.7
309.11148	6.6
315.08588	7.0
323.12827	56.6
330.10892	8.7
337.10724	5.9
351.12222	15.6
365.13922	11.3
369.13260	14.0
383.14987	26.1
401.15961	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19977	1.2
53.03935	1.3
55.01854	1.1
55.05513	1.6
57.03429	1.3
57.39237	1.0
69.03419	4.9
69.07066	1.4
70.06570	3.4
70.25285	1.1
72.08139	3.8
78.04690	1.2
79.05500	9.0
81.03400	2.1
81.07041	2.8
84.04537	1.3
84.08136	2.0
85.02895	4.7
86.09700	3.4
91.05460	5.3
93.07039	1.5
95.04976	3.1
97.02902	1.1
103.05478	1.5
105.07001	3.3
107.04286	1.4
107.04953	17.2
115.05456	2.8
116.06201	1.7
117.07015	1.4
121.06458	2.0
123.04422	2.6
124.05193	3.0
124.22112	1.1
125.05978	1.9
127.03877	1.9
129.06985	4.4
131.08574	5.8
133.06464	1.9
137.05980	1.3
139.05475	1.4
141.06929	3.4
144.05684	4.9
145.06477	2.5
152.04686	1.4
155.05914	1.2
156.05751	6.6
157.06424	2.6
158.07240	2.9
159.08066	10.7
161.05945	1.4
163.03909	1.7
165.06935	1.8
167.07040	39.6
169.06412	1.5
170.07338	1.8
173.05916	1.5
174.06755	1.8
179.07056	2.3
181.08586	2.1
182.07257	1.4
186.06798	3.0
187.07509	5.5
189.07036	1.4
190.06293	1.6
190.07838	1.4
191.08643	1.8
195.06516	2.4
202.06108	1.7
202.07797	3.1
203.08589	2.4
205.06552	2.6
205.08603	9.3
207.06534	3.9
208.05200	9.4
208.08719	1.9
210.06804	2.0
211.07545	1.8
214.06148	1.5
215.06895	1.8
217.08559	11.9
218.07262	4.3
219.08116	12.1
219.10089	2.7
220.08791	4.0
221.05936	4.0
221.09587	2.1
222.06754	1.3
224.03134	57.1
225.03403	2.9
227.06714	1.4
229.06575	1.7
229.08600	7.6
230.07274	1.8
231.08014	5.1
231.10074	1.7
233.09557	5.5
234.06779	1.3
234.10332	2.0
235.07558	3.0
236.04642	1.9
236.08296	4.8
237.09120	1.9
238.06248	2.2
239.05476	100.0
240.06021	2.9
245.09589	2.0
246.06744	2.6
247.07487	12.2
247.09694	10.2
248.08327	9.1
249.05447	2.4
249.09100	2.9
250.06236	2.4
251.10641	1.8
254.05757	3.8
255.06543	1.7
256.07397	2.0
259.07510	2.1
260.08594	1.8
261.09042	3.3
262.06265	1.9
262.09854	4.0
263.07098	3.2
263.10626	7.5
264.07831	8.7
265.08627	5.7
266.05652	1.4
267.06537	3.5
269.08136	7.0
271.09650	5.4
272.06732	1.9
273.09271	1.8
275.06891	6.3
276.07794	7.6
277.05222	1.6
277.08606	4.8
279.06952	1.8
279.09937	6.7
281.08084	2.0
281.11670	1.8
282.08792	6.1
284.06909	1.3
289.08817	1.9
290.09335	4.2
290.25378	1.2
291.10107	12.1
292.07425	5.4
292.10394	1.7
293.08017	10.5
294.08694	1.4
295.09964	1.3
299.09073	4.9
304.07306	1.9
305.08118	3.0
306.08548	1.3
307.06088	2.0
307.09567	10.7
308.10486	4.7
309.07681	1.5
309.11008	1.4
310.08295	4.3
311.12720	3.2
315.08652	24.5
316.09253	1.7
318.09116	1.3
319.09680	6.4
321.07526	3.9
321.11142	2.1
322.11963	1.4
323.12817	8.8
325.10730	1.7
328.09436	2.7
330.10965	29.2
331.11676	9.3
336.09824	3.3
337.10602	5.7
338.07568	1.8
339.12241	7.3
343.11743	7.3
351.12238	15.4
352.12952	3.1
353.10281	5.9
355.11838	1.4
356.12369	1.9
357.15460	2.0
368.12625	9.9
369.13083	2.0
371.14935	3.2
383.14868	61.0
384.14969	1.8
401.10562	1.8
401.15884	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	401.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.0
55.01869	4.2
55.05511	4.7
57.03435	2.3
61.02920	3.2
65.03947	2.4
67.05502	3.3
68.99809	3.0
69.03429	10.6
69.07066	4.8
70.06593	3.9
71.04993	5.8
71.31548	5.2
72.08154	3.0
78.04710	4.1
79.05495	23.8
81.03419	8.5
81.07076	12.5
83.04966	2.5
85.02900	11.4
87.00835	3.1
91.05490	17.2
93.07050	10.3
95.04983	10.8
95.08608	6.3
97.02901	3.7
97.06532	3.4
99.04451	4.2
103.05479	4.3
105.07034	12.7
107.04960	43.6
107.08585	13.3
109.02870	4.9
109.06537	6.0
109.10165	3.3
111.08089	2.7
115.05442	6.7
116.98635	2.1
117.07001	6.8
119.08581	20.5
121.06499	4.1
121.10170	4.9
123.04440	13.4
123.08053	2.8
124.05225	6.0
125.06015	4.1
127.03937	3.7
128.06221	6.0
129.06998	7.7
130.07813	2.4
131.04930	2.9
131.08592	13.6
132.05692	2.3
133.06479	4.5
133.10107	11.9
135.08070	4.0
135.11711	10.6
141.06970	6.8
142.07823	2.9
144.05708	8.7
145.06458	6.9
145.10088	4.5
147.11690	2.8
149.05971	2.6
151.11171	3.4
152.04680	4.9
153.05487	2.5
153.12762	5.3
155.08595	2.5
156.05708	16.0
157.06546	4.0
157.10136	4.7
158.07259	2.8
159.08049	23.2
159.11707	8.2
161.05963	4.8
161.09636	10.4
163.03957	5.3
163.07526	4.1
165.05472	2.3
165.07074	3.9
167.07048	100.0
169.06445	5.7
170.07120	2.4
172.05185	3.4
173.06012	7.1
175.11186	6.3
179.07094	4.8
179.10677	2.5
181.04947	4.5
181.08618	3.1
186.06711	4.6
187.07581	13.0
190.06303	2.6
191.07036	4.7
191.08591	4.2
192.09412	2.6
193.06551	3.0
193.12248	8.9
195.06537	4.9
201.09079	2.4
202.06180	5.3
202.07880	4.7
203.08710	4.9
203.10719	12.4
205.06651	4.2
205.08601	18.6
207.06528	7.6
207.10040	2.8
208.05191	22.0
208.08731	3.1
209.08084	3.1
210.06807	4.0
211.07565	5.4
217.08611	39.2
218.07243	5.7
219.08090	17.8
219.10207	7.3
220.08826	7.8
221.06091	11.5
221.11707	16.0
222.06847	2.4
225.12802	2.6
229.08717	6.4
230.07240	3.3
231.08041	11.9
231.10182	3.7
232.08841	3.7
233.06004	3.9
233.09575	6.3
234.06863	2.7
235.07608	6.7
235.11104	3.1
236.04733	9.2
236.08368	6.9
239.12790	5.1
241.08528	2.7
243.13689	3.1
245.09651	4.1
247.07495	14.0
247.09711	24.2
248.08295	15.8
249.05437	4.7
249.09137	6.4
254.05850	11.2
255.06482	4.5
259.07480	6.0
261.09070	7.9
261.14987	2.8
262.09976	5.4
263.07077	5.9
263.10718	15.4
264.07770	9.9
265.08615	8.2
266.05637	3.2
266.38135	2.5
267.06528	10.3
267.10062	2.8
269.08142	24.6
271.09601	11.3
272.06827	4.5
275.07062	9.8
276.07877	13.5
277.08636	9.1
278.09299	3.8
279.10098	14.2
282.05789	3.8
282.08829	18.1
287.09271	2.9
289.08737	2.9
290.09430	6.9
291.10120	26.3
292.07214	7.0
292.10938	3.0
293.08286	11.9
293.11304	3.2
299.05521	2.7
299.09076	7.1
300.06232	3.2
301.06927	4.5
304.07349	3.3
305.08322	4.3
307.09509	18.2
308.10388	9.6
310.08481	12.1
311.12714	6.3
315.08609	81.3
316.09198	4.6
318.08853	2.9
319.09671	10.6
321.07553	6.8
321.11218	5.3
322.08032	3.8
322.11490	3.4
323.12759	21.7
324.10080	3.0
325.10504	3.2
328.09290	6.7
330.10974	86.7
331.11630	14.1
335.09171	3.4
336.09857	6.5
337.10721	8.3
339.12378	12.9
340.13135	2.9
343.11780	29.1
351.12253	34.9
352.13153	3.9
353.10339	7.3
356.12436	6.9
368.12564	13.4
369.13303	4.9
371.14926	6.9
383.14896	82.4
384.15204	2.7
401.16019	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18974	0.3
53.03931	0.4
55.01857	0.5
56.05031	0.5
57.03426	0.7
60.04525	0.4
61.02896	0.8
63.57792	0.3
68.04983	0.3
69.03429	2.6
69.07055	0.4
70.06588	17.7
70.74839	0.9
71.04979	0.4
72.08151	2.3
73.02909	0.4
73.06557	0.3
74.06065	1.2
79.05471	1.4
81.03416	2.3
81.07037	0.4
82.67281	0.3
83.04967	0.4
83.06072	0.4
84.04481	0.9
84.08142	2.1
85.02904	4.5
86.09714	3.5
87.04478	0.3
88.03986	0.6
89.03934	0.3
91.05446	1.0
95.04967	0.9
97.02874	1.5
99.04414	0.6
100.07609	0.9
101.02337	0.5
102.05503	0.8
103.03938	0.4
105.06931	0.4
106.02920	0.8
107.03290	0.4
107.04961	2.9
109.02872	0.9
110.06004	0.3
110.07150	1.2
111.04441	0.6
116.07071	1.6
117.07018	0.4
123.04417	0.8
123.64405	0.4
124.03949	0.6
125.05982	0.5
127.03888	1.2
129.07016	0.5
129.10201	1.0
131.08559	0.7
135.10124	0.5
137.05977	0.5
144.05711	0.5
145.02765	0.5
145.06482	0.6
145.09689	0.4
146.04454	0.8
149.02232	0.4
151.03873	0.5
153.01826	1.1
153.05437	0.4
156.04352	0.4
156.05704	1.0
159.07999	0.9
161.05988	0.7
163.03923	0.8
163.07207	0.4
165.05489	0.5
167.07033	8.9
173.05902	0.7
173.09195	0.5
177.05412	0.5
178.02597	3.7
179.03375	1.0
181.04936	1.0
187.07521	0.6
191.08632	0.3
193.04956	13.1
193.06718	0.7
195.02888	7.5
195.04695	0.3
204.07634	0.3
205.06621	0.6
205.08582	1.5
207.06383	0.6
208.05145	1.7
210.06636	0.4
211.07542	0.6
217.08563	1.9
218.07281	0.4
219.07957	1.3
219.10059	0.5
220.08592	0.5
221.04454	1.1
222.05157	3.1
224.03137	46.2
225.03447	0.6
225.08778	0.5
229.08656	0.6
229.15450	8.4
229.39072	0.4
231.08069	0.9
233.09613	0.7
236.04565	0.5
236.08369	0.5
239.05482	100.0
240.05817	1.2
247.07507	1.9
247.09692	0.6
248.08304	1.5
251.07289	0.6
251.10474	0.5
254.05766	0.7
255.06468	0.5
256.99542	1.3
259.07629	0.4
261.09134	0.6
263.10751	1.2
264.07901	0.9
265.08548	1.0
267.06516	1.1
269.08038	2.0
271.09552	0.6
272.06747	0.4
275.06967	0.7
276.07870	0.8
277.08463	0.5
278.05841	0.6
279.06995	0.4
279.10135	1.2
281.07938	0.4
282.08771	1.7
291.10077	2.2
293.08084	1.0
301.07007	0.6
305.08096	0.6
307.09592	1.5
308.10208	0.7
309.07437	0.4
310.08304	0.9
315.08612	5.4
319.09592	0.9
321.07944	0.8
321.11160	0.5
323.12796	1.2
328.09500	0.4
330.10956	5.7
331.11716	1.1
336.09875	0.6
337.10760	1.0
339.12189	1.3
343.11746	2.0
350.59512	0.4
351.12180	2.9
353.10077	1.1
368.12347	0.9
371.14932	0.5
383.10153	0.6
383.14862	7.7
401.05637	0.8
401.10483	8.4
401.15698	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25224	0.3
56.05033	0.9
57.03424	0.4
60.01333	0.3
61.02918	0.5
65.03921	1.3
69.03423	1.7
69.99718	1.6
70.06584	1.2
78.03397	0.3
81.03408	1.1
83.04959	0.5
84.04501	24.5
85.02898	4.2
86.39143	0.3
92.04987	3.8
97.02912	2.0
98.06027	0.9
102.05512	0.4
108.04475	0.5
109.02890	0.8
110.06036	100.0
111.04447	0.9
111.06371	0.9
126.05500	0.8
127.03919	0.8
130.05003	12.4
145.04939	0.8
152.07372	0.4
158.06079	1.0
162.58595	0.3
163.03903	1.3
164.04279	0.3
175.08658	0.9
176.07050	3.3
191.68787	0.3
195.86768	0.3
208.06000	0.5
220.06023	0.5
221.09201	1.7
222.07620	3.5
239.10255	21.9
240.10602	0.5
256.08325	0.6
263.67722	0.3
281.11319	0.4
310.80756	0.4
353.04446	0.4
383.15012	0.6
398.60953	0.3
402.12247	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89263	2.9
53.03938	3.7
55.05503	3.6
56.05026	4.6
56.96573	5.8
64.00498	3.1
65.03925	5.8
67.05496	6.9
69.03426	4.7
69.84200	3.4
70.06584	40.8
72.08147	12.2
74.06058	5.7
79.05500	17.9
81.03411	12.9
81.07039	2.8
83.04980	8.7
84.04498	9.0
84.08134	16.5
85.02893	8.0
86.09700	38.3
88.03983	4.7
89.03917	10.9
91.05468	9.3
93.03373	4.1
95.04941	7.5
97.02853	4.2
97.27404	2.7
98.97566	5.4
102.05571	4.6
107.04942	32.4
110.07177	4.4
111.04433	10.1
115.05428	3.3
116.07076	32.3
116.98650	4.6
117.03371	11.0
117.07001	8.8
119.04954	3.3
120.08118	4.3
123.04407	10.9
124.05192	4.6
125.05972	5.6
129.06982	3.9
129.10231	5.4
131.08583	5.3
134.99591	4.7
135.04393	24.0
137.05991	6.1
139.03899	7.4
141.01888	6.6
144.05663	7.0
145.02820	9.7
145.06465	12.3
146.04565	4.3
146.06796	9.0
147.04419	9.0
149.05986	4.6
152.04694	4.9
153.01819	5.5
156.05710	6.2
157.06487	4.3
159.08035	9.7
163.03906	100.0
163.07480	8.6
164.04286	26.4
164.07927	6.1
167.03560	3.0
167.07030	88.8
168.07408	4.4
173.05984	8.7
173.09190	27.9
181.04907	32.9
185.12857	7.3
187.07468	8.3
191.07031	9.1
192.07391	8.9
195.06529	3.6
201.12454	16.4
201.14001	2.9
202.07806	5.2
205.06606	4.4
205.08569	12.5
206.32352	3.2
207.06480	9.8
207.08217	3.9
208.05098	19.7
209.06331	5.4
209.08083	9.8
210.04405	4.0
210.08443	14.9
217.08530	26.5
217.11842	4.0
218.07294	5.3
219.01765	4.7
219.08066	8.1
219.10089	6.2
220.08948	3.2
221.05920	7.6
224.03201	5.9
229.08577	8.6
231.08037	8.6
237.02823	3.9
238.06221	4.9
239.05493	11.7
239.09033	5.2
241.04996	3.9
246.06804	3.3
247.07500	11.2
247.09714	7.3
248.08304	14.7
251.10617	5.3
254.05823	6.5
257.04337	4.0
261.09097	9.0
262.09903	5.3
263.07043	5.2
263.10696	10.6
264.07770	6.9
265.08612	5.9
267.06561	9.8
268.17468	3.4
269.08051	17.3
271.09729	10.4
275.07037	6.4
276.07709	7.3
277.08481	4.4
279.09930	5.9
281.08194	3.5
282.05759	4.2
282.08893	17.1
289.08493	3.6
290.09390	3.8
291.10214	13.6
292.07346	6.1
293.08051	9.7
299.09106	7.7
301.07135	4.8
305.07904	4.9
307.09552	15.4
308.10226	5.0
310.08115	8.8
315.08551	64.0
316.09201	5.5
317.05347	7.2
319.09402	6.5
321.96613	3.7
323.12869	18.1
328.09418	6.1
330.10947	76.5
331.11728	11.8
336.09982	5.3
337.10678	9.6
339.12479	8.8
343.11618	25.4
351.12250	30.0
353.10089	6.7
356.12619	4.6
357.11740	5.3
368.12546	9.8
371.14868	7.3
383.14923	70.1
401.10391	16.0
401.15726	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01863	0.9
55.05504	0.9
56.96552	0.5
57.03431	2.0
59.04992	0.5
61.02925	3.7
65.03936	0.5
67.05505	0.6
68.99756	0.6
69.03075	0.7
69.03430	9.3
69.07047	0.6
69.51319	3.8
70.06593	4.3
71.01329	0.8
71.04970	1.8
72.08142	2.0
73.02915	2.6
79.05470	2.3
81.03414	3.7
81.07056	0.9
83.05012	0.6
84.04479	0.7
84.08137	2.1
85.02901	19.3
86.09705	3.2
87.04443	1.4
88.03985	0.5
91.03925	0.7
91.05479	2.7
93.05771	0.6
93.07032	1.4
95.04980	1.5
97.02888	4.9
99.04453	1.5
101.02348	0.5
102.05487	0.4
103.03926	1.0
105.07011	0.8
107.04940	2.9
107.08607	0.7
109.02861	2.0
109.06493	1.7
111.04427	0.6
115.03939	0.9
116.07078	0.6
119.08535	0.8
120.08047	0.6
123.04325	0.6
124.05199	0.6
126.03738	3.4
127.03226	0.4
127.03927	4.7
127.75573	0.4
128.06219	0.4
129.06978	1.0
129.10228	1.0
131.08577	0.6
133.06490	0.6
135.09161	0.4
137.05972	1.0
141.06937	0.7
145.04959	1.5
145.10092	0.8
147.04405	1.1
147.08087	0.5
151.07573	0.5
153.01822	1.6
153.10196	0.9
156.05656	0.8
158.07388	0.5
159.08020	1.7
163.03873	0.4
167.07037	7.0
169.82913	0.5
175.03922	1.0
178.02599	21.4
179.03387	4.4
181.04979	2.0
189.52802	0.4
193.04964	28.0
195.02895	3.4
201.09018	0.6
203.08600	0.6
205.08595	1.2
207.02907	2.1
207.06548	1.0
208.05293	1.0
217.08551	2.1
218.07265	0.7
219.07982	1.9
219.09909	0.7
220.08852	0.6
221.04358	1.3
221.06177	1.0
222.05196	9.3
224.03143	30.3
229.08545	1.0
231.08012	1.0
233.09625	0.7
235.05879	0.8
236.08308	0.9
237.03882	0.6
238.06351	0.6
239.05493	100.0
240.05847	1.3
245.09694	0.4
247.07494	1.9
247.09738	1.1
248.08316	1.8
251.12866	0.7
259.07489	0.7
261.09103	1.3
262.10040	0.5
263.10657	1.0
264.07819	1.3
265.08572	1.2
266.05933	0.5
267.06662	0.7
269.08139	1.3
271.09634	1.1
275.06992	1.0
276.07678	1.1
277.08609	0.6
279.10178	1.7
281.06409	1.2
282.08847	1.5
290.09122	0.9
291.10056	2.3
292.07501	0.7
293.08017	1.0
299.09421	0.6
300.11121	0.8
305.08270	0.7
307.09647	1.8
310.08356	0.5
311.12997	0.6
315.08621	5.0
319.09613	1.6
320.06747	0.5
321.07483	0.5
323.12836	1.3
330.10944	4.2
331.11731	1.2
336.09985	1.0
337.10767	1.6
339.12329	1.2
343.11771	1.2
351.12354	2.8
353.10031	0.7
357.15070	0.9
368.12552	1.8
383.14838	11.7
401.10297	8.9
401.14801	1.5
401.17471	1.3
401.28879	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.4
55.01860	11.6
55.05509	4.1
56.05023	1.7
57.03424	6.0
61.02915	5.0
67.05488	2.1
68.99796	2.5
69.03422	32.2
69.07025	1.8
70.06593	10.4
71.04991	10.6
71.60023	1.9
72.08154	2.4
73.02901	12.6
74.60233	1.6
76.97296	1.8
77.56408	1.6
79.05482	5.5
81.03410	33.9
81.07037	4.9
83.01343	2.0
83.04984	5.0
83.08623	1.9
84.04482	2.9
84.08147	5.9
84.31250	1.7
85.02900	100.0
86.09707	11.6
87.00827	35.0
87.04459	2.8
91.03958	3.6
91.05466	4.3
93.07046	4.9
95.04970	1.7
95.08582	3.2
97.02882	58.5
99.04436	20.5
100.11245	3.9
102.05553	2.2
105.01861	41.3
105.07018	6.0
107.04939	4.8
107.08643	2.2
109.02875	35.5
109.06533	3.4
109.10136	2.0
111.04467	3.8
116.04971	24.2
117.01861	4.1
117.07003	1.9
119.08572	2.3
120.08089	2.0
121.06540	1.8
121.10136	5.0
123.11674	1.8
127.03908	99.1
128.04292	2.5
128.06178	1.8
129.01854	3.2
131.04941	3.0
133.10213	1.8
136.06186	3.9
137.05928	3.3
141.22153	1.5
145.04958	60.7
145.06261	2.4
145.06438	3.3
147.02888	3.5
151.11201	2.4
155.07025	5.5
158.05994	2.1
159.02879	32.9
159.04239	1.7
159.11794	2.2
161.06075	2.3
163.07477	1.8
167.07088	3.8
173.13031	1.9
175.07495	1.7
177.03964	3.2
181.04973	2.3
182.15431	2.9
210.14957	5.3
213.03996	3.8
217.08655	2.3
229.15482	2.3
231.04994	22.8
243.48515	1.7
249.06067	4.0
250.09364	3.3
279.06989	1.7
307.09747	2.8
323.09183	1.6
367.11566	2.1
369.13275	2.9
381.23538	3.6
393.99527	2.0
399.14795	5.5
399.19852	11.1
399.25018	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	401.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	12.2
61.50619	1.7
68.82761	1.6
71.58820	2.3
71.95250	2.3
98.97577	59.4
116.98610	75.3
134.99644	77.8
140.00206	1.7
153.00716	18.4
158.01204	2.4
174.97601	2.5
177.00978	4.3
179.00763	2.8
190.95389	3.4
192.98763	2.5
208.96466	2.8
216.98792	3.0
219.02031	8.5
220.02139	2.6
221.01865	2.4
232.96542	4.4
234.99860	8.2
236.00087	2.4
236.99741	7.0
240.98810	5.6
250.97575	5.4
252.97581	2.4
253.01091	2.4
255.00911	2.0
256.96558	5.7
258.96902	1.6
258.99774	44.0
260.00150	3.0
260.99817	8.3
261.03052	9.8
262.03070	1.8
263.02829	6.1
274.97473	47.3
275.97870	5.7
276.97543	16.5
277.00784	100.0
277.98193	2.0
278.01080	7.8
279.00851	17.6
280.00952	3.1
282.99908	23.4
284.00204	3.0
284.99765	14.2
288.99066	2.6
292.98532	40.1
293.99084	4.1
294.98599	7.9
298.97675	2.3
300.02499	4.1
300.97577	11.1
301.00931	53.5
302.00998	11.8
302.66000	1.9
303.00854	35.3
304.01019	7.9
305.00726	4.0
316.00137	2.0
316.98914	4.9
317.99069	3.2
318.98602	28.5
319.02054	3.2
342.00363	2.3
359.01678	9.8
376.98746	15.1
377.02884	4.4
383.00070	3.6
401.01114	27.1
402.01657	2.4
418.97827	3.5
419.02332	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	398.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	5.5
55.05507	6.9
56.05043	5.1
56.96552	5.4
57.03441	24.9
59.04991	3.7
60.04525	5.9
61.02919	9.1
63.40697	2.7
67.05514	3.7
69.03427	82.6
69.06770	2.7
69.07071	32.4
69.28587	31.4
70.06583	29.0
71.04987	6.2
72.08152	6.8
73.02911	20.2
75.04500	3.4
79.05471	4.7
81.03418	16.6
81.07049	7.9
83.04984	6.0
83.08659	3.1
84.04503	7.5
84.08124	11.3
85.02901	100.0
86.09702	23.1
87.00839	4.7
87.04462	40.0
91.03934	4.7
91.05497	7.4
93.07053	9.0
95.04955	5.8
95.08627	3.5
97.02891	73.9
98.06069	3.1
98.09710	5.7
99.04445	6.0
99.09976	2.6
103.05480	4.5
105.07039	5.3
107.04959	13.8
107.08593	3.3
108.09116	2.4
109.02876	8.8
109.06581	3.0
110.07149	7.8
111.04446	9.2
111.08093	11.4
112.41173	2.5
115.03931	75.6
115.07557	5.5
116.98602	3.1
117.07037	3.8
119.04910	3.9
119.08545	3.5
120.08086	6.3
121.06467	4.0
123.04417	5.1
123.08047	3.2
124.07615	5.4
127.03915	28.2
129.05450	3.5
129.10216	3.8
131.04939	5.8
132.08092	3.9
133.04967	92.1
133.06487	4.5
135.04416	10.2
136.07593	3.4
137.05992	4.2
139.03964	3.5
141.09100	3.4
145.02879	5.9
145.04961	44.1
145.06435	12.5
146.06009	4.3
147.04402	7.6
147.07997	4.6
150.05406	4.2
150.07599	7.8
153.09099	3.0
157.04968	4.5
160.07590	8.8
161.02338	6.1
161.04634	3.0
161.05969	6.8
162.05472	3.0
163.03914	42.8
163.06024	16.6
163.07512	7.2
164.07076	3.5
165.05457	3.6
165.09201	3.1
177.05455	3.3
178.08676	3.9
179.03366	3.4
182.08200	4.5
183.10138	5.0
188.07063	11.1
189.05469	7.3
193.04991	10.9
201.11179	3.8
206.04495	3.3
206.08157	25.6
207.02916	7.3
209.05702	2.8
209.07896	2.7
224.09129	4.5
236.09843	6.3
237.07562	11.0
241.07045	5.6
259.08163	6.7
380.13403	7.4
398.14468	16.0
399.15546	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	399.1287
Annotation	Cnidioside B
Peak:m/z	Relative Intensity
56.05029	0.5
57.03441	0.4
67.01860	0.7
67.05499	0.3
68.99798	0.7
69.03407	1.2
69.07065	0.5
70.06593	3.1
70.65029	0.3
71.04974	0.3
71.08614	0.3
71.12656	0.5
71.13006	0.6
72.08151	0.6
72.71042	0.3
76.99396	0.2
79.05487	0.4
81.03405	0.6
81.07096	0.3
83.04980	0.4
83.10124	0.3
84.04499	0.4
84.08135	0.8
85.02907	1.6
86.09705	2.8
91.05469	1.3
95.04962	0.5
97.02906	1.6
98.97560	0.4
101.51867	0.3
102.05505	0.4
107.04918	0.4
109.02837	0.5
110.07170	0.7
111.04427	0.5
116.98602	0.3
125.06013	0.9
127.03921	0.8
129.05438	0.3
133.08647	0.3
136.06183	1.0
137.05980	3.2
147.04404	1.2
151.03896	0.7
153.01831	1.6
165.05421	0.8
169.04971	0.7
171.02904	0.6
175.03922	0.5
178.73164	0.3
182.08144	0.5
193.04961	64.1
194.05232	0.6
198.09207	0.4
219.06511	4.7
237.07568	100.0
238.07924	0.9
250.09320	0.8
278.75201	0.3
399.15927	0.6
399.19803	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50241	0.6
55.01851	1.0
55.78712	0.7
56.05019	0.7
56.96560	0.8
57.03418	2.7
59.04992	1.0
60.04519	1.0
61.02916	1.6
65.38827	0.7
68.70752	0.7
69.03107	0.9
69.03426	7.5
70.06586	2.1
71.04975	1.2
71.52663	1.3
72.08130	0.9
73.02912	0.8
74.06052	0.8
81.03407	4.4
83.04988	0.9
83.80322	0.7
84.04507	1.3
84.08120	1.5
85.02902	16.1
87.04452	1.8
97.02892	6.3
99.04468	1.3
107.04985	0.9
108.68279	0.7
109.02885	1.8
110.07178	0.9
117.05719	0.8
119.04908	1.1
127.03917	5.0
130.06563	1.0
131.07228	1.0
132.08089	2.1
136.06123	1.0
143.05014	0.7
144.08076	1.7
145.04956	2.0
146.04497	1.1
156.22404	0.7
159.06801	14.4
160.07603	4.9
163.03893	3.2
170.06013	3.0
172.07571	34.1
173.08002	1.1
178.08655	0.8
188.07066	72.6
189.07375	2.4
200.07048	11.6
206.08066	1.7
218.08122	21.9
224.09096	1.1
236.09169	100.0
237.09395	2.4
398.14365	11.1
398.18494	0.9
399.13272	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47544	21.2
55.05507	62.7
67.05503	27.2
69.03423	49.6
69.07056	23.8
70.06576	78.6
70.71630	60.6
72.08131	22.6
79.05475	25.6
81.03411	45.5
81.07053	50.2
83.04948	29.2
83.08609	29.2
84.08123	34.3
85.02893	49.5
86.09708	73.0
86.29223	19.3
91.05455	40.9
91.99785	21.1
96.71259	21.8
97.02868	36.9
100.11256	75.2
105.07031	23.6
109.02874	22.4
111.04432	31.3
120.08120	40.5
126.05611	19.4
137.05998	30.2
140.17450	23.1
167.07034	33.5
178.72534	20.9
181.04970	57.4
221.63864	21.5
237.05240	23.8
245.04483	28.0
276.07547	22.2
314.25739	26.2
334.20572	29.2
343.73346	24.5
352.73996	100.0
354.10648	22.8
355.08051	50.5
367.08041	43.0
398.23840	28.8
409.02756	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	398.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05006	0.6
56.96560	0.6
57.03431	0.6
63.38313	0.6
65.43659	0.6
69.03422	1.2
70.00044	2.6
70.06597	2.7
72.08144	0.9
81.03418	1.5
84.04504	1.2
84.08138	1.4
85.02884	2.5
86.09690	1.4
89.03913	0.6
93.03412	0.7
97.02888	1.3
98.20790	0.8
110.07148	1.1
117.07047	0.7
124.07606	1.0
130.06514	0.7
131.07277	2.2
132.08099	2.8
135.04504	0.7
144.08101	1.6
145.02901	0.7
145.06479	1.6
146.06088	0.6
146.77132	0.6
147.04480	0.9
154.06491	1.0
159.06804	15.1
160.07567	5.3
161.06007	1.3
162.05478	0.9
163.03896	4.7
163.07597	1.0
170.06064	3.0
172.07576	40.0
173.07968	0.7
174.05472	0.7
188.07063	80.3
189.05647	1.4
189.07423	2.3
190.05865	1.1
200.07080	13.4
201.07477	0.7
206.08096	3.2
218.08131	23.4
224.09061	0.8
236.09171	100.0
237.09505	2.0
250.09427	0.6
289.78793	0.6
358.87213	0.6
398.14365	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	398.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05006	0.6
56.96560	0.6
57.03431	0.6
63.38313	0.6
65.43659	0.6
69.03422	1.2
70.00044	2.6
70.06597	2.7
72.08144	0.9
81.03418	1.5
84.04504	1.2
84.08138	1.4
85.02884	2.5
86.09690	1.4
89.03913	0.6
93.03412	0.7
97.02888	1.3
98.20790	0.8
110.07148	1.1
117.07047	0.7
124.07606	1.0
130.06514	0.7
131.07277	2.2
132.08099	2.8
135.04504	0.7
144.08101	1.6
145.02901	0.7
145.06479	1.6
146.06088	0.6
146.77132	0.6
147.04480	0.9
154.06491	1.0
159.06804	15.1
160.07567	5.3
161.06007	1.3
162.05478	0.9
163.03896	4.7
163.07597	1.0
170.06064	3.0
172.07576	40.0
173.07968	0.7
174.05472	0.7
188.07063	80.3
189.05647	1.4
189.07423	2.3
190.05865	1.1
200.07080	13.4
201.07477	0.7
206.08096	3.2
218.08131	23.4
224.09061	0.8
236.09171	100.0
237.09505	2.0
250.09427	0.6
289.78793	0.6
358.87213	0.6
398.14365	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	397.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57031	0.2
55.01860	0.2
56.96551	0.4
57.03434	0.2
61.17402	0.2
63.28641	0.2
64.83016	0.2
67.01862	2.2
67.05481	0.3
68.99785	0.2
69.03426	1.1
70.06583	2.7
70.74990	0.2
70.75345	0.6
71.04992	0.2
72.08138	0.4
72.93791	0.4
79.05475	0.4
81.03402	0.9
81.07053	0.3
84.04490	0.4
84.08134	0.6
85.02909	1.1
86.09688	1.2
90.94809	0.2
91.05465	0.8
93.07045	0.5
95.04945	0.4
95.08570	0.2
96.04469	0.3
97.02892	0.5
98.97545	0.2
103.05448	0.2
105.07016	0.5
107.04944	0.5
107.08604	0.5
109.02853	0.4
110.07136	0.2
115.03902	0.5
116.07076	0.4
116.98634	0.3
117.06985	0.5
119.04913	0.4
119.08546	0.2
120.08125	0.4
120.47235	0.2
121.06498	1.6
123.08078	0.5
124.07449	0.2
125.05985	0.9
127.03913	0.4
129.10219	0.2
130.04955	0.2
130.06490	0.2
132.95821	0.7
133.04967	0.3
134.99629	0.2
135.08057	2.6
139.03813	0.2
141.10236	0.4
144.95816	0.3
145.02800	0.2
145.06482	0.5
147.04434	0.6
149.05931	0.2
150.96884	0.9
151.03879	2.9
153.01894	0.2
158.97404	1.5
162.09155	0.2
162.96899	0.5
163.03891	0.9
163.07506	1.4
169.09703	0.6
176.04680	1.0
176.98415	0.8
188.07033	0.2
191.07019	61.9
192.07381	1.7
193.04938	0.2
200.98369	0.6
201.00212	0.2
206.08112	0.4
217.08582	5.2
218.99544	0.3
235.00545	0.9
235.09636	100.0
236.09933	3.3
237.02850	0.3
252.97964	0.2
253.01622	0.8
258.99005	0.3
277.00174	0.8
282.18155	0.2
372.52203	0.2
383.81949	0.2
397.05655	0.6
397.10959	1.1
397.15656	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3101
Annotation	delta-Tocotrienol
Peak:m/z	Relative Intensity
53.03936	3.4
55.01861	3.4
55.05515	20.9
56.96553	4.2
57.07054	3.6
59.04980	2.2
65.03925	2.3
67.05499	30.5
69.07065	18.2
69.47105	16.8
71.04990	2.7
79.05489	25.6
81.07053	55.0
83.04961	6.9
83.08602	6.3
85.06528	5.8
91.04946	3.0
91.05467	26.7
91.37821	1.7
93.07037	47.1
95.04964	4.3
95.08597	67.5
97.06509	4.4
97.10144	4.5
98.20775	4.0
99.04440	8.0
99.05037	1.8
101.06001	6.9
103.05468	2.7
103.62650	2.0
105.07025	50.2
107.08591	59.4
109.06508	4.1
109.10154	30.2
115.05447	2.0
117.06999	10.4
119.04942	2.4
119.08573	47.2
121.06580	2.4
121.10135	47.3
123.11713	9.2
126.64722	1.8
129.07001	4.3
130.07794	1.9
131.04860	2.1
131.08563	22.5
133.06499	3.0
133.10115	48.0
135.08026	4.4
135.11687	52.4
136.11992	2.2
137.05925	3.3
137.09503	2.2
143.08560	9.8
144.09303	3.7
145.06433	2.2
145.10112	31.3
147.11681	38.0
149.09656	2.9
149.13248	13.0
153.09062	4.8
155.08540	3.2
157.10062	8.8
159.11676	29.6
161.09567	3.2
161.13242	18.6
163.11214	4.6
163.14810	7.1
165.09370	1.9
167.03523	2.1
171.11661	7.5
173.05943	4.1
173.13237	20.1
174.81851	1.9
175.11200	3.7
175.14877	12.0
177.12773	16.3
177.16351	8.4
181.12169	9.2
183.11652	2.7
185.13283	6.3
187.14789	20.9
189.12749	2.2
189.16356	21.1
191.14409	2.0
191.17970	2.3
193.04930	4.4
193.12238	4.9
194.37758	2.1
195.13806	19.9
197.13300	2.1
199.14803	6.0
201.16350	33.7
203.14334	4.2
203.16196	3.2
203.17955	24.2
205.05000	2.4
207.13844	9.6
209.13362	2.7
209.15334	3.2
211.14795	3.3
213.16287	5.2
215.14424	2.4
215.17920	19.1
217.19566	3.4
221.15381	7.9
227.17984	4.6
229.19542	3.1
233.15363	2.7
235.16783	3.7
239.17766	2.3
241.19582	5.1
247.17099	2.3
255.21027	5.4
261.18484	3.6
264.79590	1.9
265.19382	1.9
269.22595	2.0
273.18515	3.1
281.10602	4.3
283.24243	3.1
287.20041	2.0
289.21515	3.0
296.25073	2.7
297.25497	1.9
299.11853	2.7
305.07889	2.3
337.10648	2.2
337.51685	2.2
341.24936	4.7
353.10150	2.9
365.10104	6.1
379.11591	2.4
379.29877	3.9
397.12845	10.7
397.17731	3.2
397.30991	100.0
398.31299	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	396.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
53.28031	2.4
55.01860	8.4
55.05499	7.0
55.22333	2.7
56.96576	4.3
57.03434	5.0
57.07067	7.7
61.02921	6.7
61.82666	2.5
67.05505	5.8
68.99780	3.2
69.03130	3.3
69.03432	39.7
69.07054	11.6
70.06580	4.0
71.04986	2.8
71.08618	2.8
71.59146	4.3
73.02905	5.9
81.03418	26.2
81.07031	7.0
83.08621	5.3
84.08145	3.2
85.02901	100.0
85.06513	4.3
86.09713	6.7
87.00826	43.0
88.34880	2.7
93.07026	4.2
95.08598	4.7
97.02882	28.8
98.97571	4.1
99.04444	11.7
100.11268	23.5
105.01862	75.4
105.07035	3.6
107.08553	2.7
109.02225	2.8
109.02885	30.8
112.07586	3.0
117.01809	3.5
119.08604	2.9
127.03915	69.9
128.07109	2.9
134.99675	6.4
144.80086	3.0
145.04977	25.2
159.02869	10.4
168.13806	19.4
169.10735	2.5
172.71925	3.3
182.15408	3.0
184.16934	10.9
189.03909	3.3
196.13342	15.9
201.19632	4.9
210.14851	4.7
211.38832	2.8
223.40106	2.8
228.15973	5.8
231.05005	21.1
289.99097	3.1
311.23386	9.1
337.10672	3.3
355.14182	3.1
396.32159	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1492
Annotation	Spicatolide A
Peak:m/z	Relative Intensity
56.96554	1.8
57.03438	1.7
58.46790	0.8
65.03907	1.0
65.89344	0.8
67.01857	3.0
67.05493	1.5
69.03425	4.2
69.51648	5.3
69.52048	1.8
70.06593	9.9
71.04982	1.9
72.08155	4.4
73.02943	1.0
79.05489	0.9
81.03394	2.9
81.07055	2.1
83.04968	1.8
84.04482	2.8
84.08135	3.7
85.02895	6.8
86.09696	3.5
89.03902	1.6
91.05460	8.4
92.19557	0.7
93.07038	1.1
95.04905	0.8
95.08549	0.8
96.53789	0.9
97.02892	3.2
98.20778	1.7
98.97568	2.2
105.07004	2.0
107.08569	1.3
109.02886	1.5
110.07169	2.0
115.05497	1.1
116.07046	1.6
116.98610	2.2
117.03378	1.6
119.04929	0.8
119.08581	1.1
120.08077	1.3
121.06499	1.9
127.03867	1.0
129.07065	0.9
129.10257	2.3
131.08603	1.3
134.99606	0.9
135.04504	1.1
135.08015	1.0
145.02849	3.5
145.62375	0.8
147.04362	1.9
147.07936	0.8
149.05978	1.3
151.03935	1.0
153.05389	0.9
158.97501	0.9
158.99600	1.3
159.08029	2.5
161.05962	4.0
163.03899	6.0
166.08710	0.8
175.03865	1.0
175.07516	7.5
176.08324	12.9
177.00574	1.0
177.05457	6.3
181.04958	1.4
185.06122	1.0
187.07503	2.0
189.05435	1.6
190.06184	1.1
191.07039	3.0
193.04971	1.9
199.16960	1.7
201.09076	1.2
203.07021	65.2
204.07805	34.5
204.09781	0.9
205.08545	2.0
213.05499	1.6
213.12402	1.9
215.07024	21.8
217.08600	22.5
219.01704	1.8
227.07083	3.0
228.07794	2.5
229.08594	6.7
231.06697	5.0
233.08069	75.8
234.08380	2.2
234.98982	1.1
235.09627	1.4
237.02850	2.7
241.08630	2.5
243.06534	1.6
243.10159	23.2
245.08116	5.1
247.09711	5.2
253.08589	1.6
257.08069	14.6
259.09619	4.7
263.09186	4.6
269.08124	1.8
271.09644	10.6
275.09164	2.0
277.00180	1.5
277.10687	27.2
279.03802	1.3
287.09158	14.6
288.09454	1.0
299.09100	13.0
300.09521	0.8
301.10657	4.8
303.05014	3.0
305.00806	0.9
307.11957	1.1
313.10745	1.0
317.10168	16.8
331.11975	4.4
335.11169	14.2
343.11798	3.3
353.12408	5.2
361.04047	0.8
361.12817	13.1
362.13171	1.3
377.01733	1.0
379.13849	22.5
380.14200	1.7
397.14926	100.0
398.15283	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2789
Annotation	2-14,15-EG
Peak:m/z	Relative Intensity
55.05493	5.0
57.03439	2.0
57.07067	7.0
67.05502	9.4
69.07054	3.2
71.04990	2.1
71.08626	6.4
71.59483	1.7
71.59924	2.2
72.95972	1.5
79.05500	5.2
81.07049	10.3
83.08611	4.1
85.06518	3.0
91.05473	6.7
93.07053	11.5
95.04968	5.4
95.08611	13.1
97.06516	2.2
99.08088	2.8
105.07021	6.1
107.08597	9.2
109.06503	18.2
109.10149	6.6
109.33784	1.5
111.08033	2.1
111.21111	1.6
117.15096	1.8
119.08558	8.3
121.10152	4.7
122.07296	2.7
123.08070	27.7
123.11734	2.1
125.71062	1.8
130.90236	1.9
134.12732	1.7
135.08070	7.9
135.11723	1.9
137.09634	2.7
145.10025	2.6
147.11725	2.2
149.09641	2.2
149.13263	3.0
151.07489	1.8
156.39880	1.6
157.10078	2.2
159.11775	2.1
167.14305	2.3
179.14301	100.0
183.11784	1.8
193.15851	3.0
205.15878	12.0
275.23834	3.9
275.84836	2.1
285.22141	2.1
303.23193	49.2
395.27930	96.1
396.28339	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	396.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01867	1.5
55.05497	2.7
56.05020	3.6
57.03426	1.4
57.08450	1.1
60.04501	1.9
65.03927	2.3
67.05489	3.8
68.99784	1.9
69.03422	5.6
69.07035	1.7
70.06589	10.9
70.84479	2.1
70.84830	2.5
72.08139	4.6
74.06076	6.0
79.05473	4.6
81.03392	4.8
83.04989	8.2
84.04519	5.9
84.08146	8.7
85.02898	6.6
86.09702	13.4
87.00798	1.7
88.03977	1.8
89.03909	2.9
91.05481	4.0
93.03410	2.1
95.04966	6.1
96.04459	1.6
97.02867	3.0
101.07143	2.5
102.05537	3.4
103.05477	3.4
103.40279	1.1
105.03419	1.5
105.07024	3.6
107.04954	9.1
109.02880	2.8
110.07185	2.4
111.04446	8.9
112.72445	1.1
115.05462	5.3
116.07076	1.7
117.03367	2.8
120.08089	10.1
123.04436	3.5
124.07707	1.2
127.03930	2.7
129.05482	3.8
129.10251	3.4
130.06519	3.0
131.04916	9.9
132.04485	1.5
132.08041	2.6
133.02835	6.6
133.05249	1.5
133.06462	6.0
134.06059	2.1
135.04417	14.0
136.03918	1.6
136.07599	4.6
139.03891	5.1
142.12317	3.1
143.04955	7.2
145.02859	5.0
145.05025	1.4
147.06619	1.6
148.03928	1.9
148.07574	19.6
150.09122	3.3
151.03868	1.7
152.07051	3.5
154.16949	1.2
156.07585	1.4
158.06033	5.2
159.04414	10.5
160.03894	2.2
160.07555	2.7
161.02382	2.7
161.04758	2.7
161.05969	13.5
162.05489	19.9
163.03899	46.2
163.06001	2.3
166.08626	2.1
176.07063	86.1
177.05482	3.8
177.07561	2.0
178.05006	6.6
178.08630	14.6
179.03326	8.1
186.05519	3.4
187.03917	27.9
187.14420	14.9
194.08099	3.4
204.06551	100.0
205.05075	3.1
215.14011	3.6
222.04027	3.8
222.07611	46.3
234.09695	2.8
251.10107	1.6
309.19705	1.4
312.16727	1.6
350.12390	2.3
360.18033	1.6
378.11664	3.3
396.12891	91.6
397.13486	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.9
65.03926	3.8
67.05499	6.6
69.03423	2.7
70.33940	4.9
71.01362	1.3
74.55937	1.2
77.49243	1.1
79.05463	4.1
83.04965	11.3
84.04503	2.7
85.02878	4.1
89.03899	4.5
91.05450	2.6
93.03390	2.6
95.04962	18.1
103.05465	4.0
104.75186	1.1
105.03377	1.2
105.07016	3.0
106.06542	1.2
107.04955	8.1
111.04435	13.1
115.05433	6.9
117.03372	4.9
119.04939	2.1
120.08107	6.3
121.02846	3.0
123.04414	5.5
129.05466	2.6
130.06512	4.9
130.07448	1.4
131.04893	9.2
132.04460	2.8
132.08066	3.4
133.02831	5.6
133.05190	2.1
133.06465	6.8
134.06009	2.4
135.04405	13.5
136.03912	4.0
139.03877	5.7
143.04912	11.3
145.02850	4.7
148.07552	16.4
149.06021	2.1
150.09132	2.9
151.03865	5.7
152.07098	1.7
155.48224	1.4
157.04921	2.5
158.06030	5.3
159.04405	9.4
160.03873	2.1
160.07527	2.9
161.02357	3.3
161.05972	18.9
162.05502	20.4
163.03900	50.1
176.07054	79.5
177.05475	2.4
177.07506	3.5
178.05000	9.0
178.08630	23.6
179.03337	7.3
181.05011	1.4
183.29460	1.3
186.05493	4.3
187.03888	29.8
194.08116	2.3
204.06534	100.0
205.04948	4.8
208.26503	1.2
222.07588	66.7
223.08044	1.8
234.09795	3.8
315.84286	1.2
325.09143	2.0
350.12314	1.6
378.11703	6.2
396.12854	77.6
397.12894	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
55.01867	2.6
55.05509	7.7
56.96563	2.5
57.03431	1.5
57.07068	2.7
65.03929	2.5
65.83100	1.0
67.05167	1.8
67.05503	25.4
68.05839	1.1
69.03423	3.3
69.07064	11.2
70.06588	2.9
71.04980	2.3
71.08627	17.7
71.59934	1.5
72.04511	2.7
73.02913	3.8
74.02421	7.3
79.05489	51.3
81.03412	7.0
81.07050	31.7
82.02934	13.5
83.01327	5.4
83.04975	2.4
83.48042	0.9
84.04510	1.2
85.02889	3.5
86.09692	3.6
88.11263	53.9
91.05481	31.5
91.06065	1.2
93.07040	47.8
95.04968	20.1
95.08605	7.6
96.04473	2.6
98.97579	1.3
99.05556	1.5
100.03975	10.2
101.02366	2.8
102.05525	2.2
103.05453	2.5
105.07019	19.1
107.04937	13.0
107.08590	22.9
109.06519	17.1
109.10156	1.8
115.05433	2.8
116.06238	1.3
116.98592	2.9
117.07015	13.7
118.05009	4.9
119.03376	2.0
119.08560	11.3
121.06499	14.0
121.10125	4.1
127.03886	1.8
128.06180	1.5
129.06981	1.3
130.07756	7.3
131.08591	1.7
133.10118	3.3
135.08118	1.7
135.11694	14.4
136.75156	1.1
141.13864	2.8
143.08562	3.5
145.10110	25.7
146.04471	53.2
147.11603	2.4
152.10652	1.3
159.11607	1.2
162.09186	1.3
162.12755	2.0
163.11176	15.8
169.13351	53.6
172.13307	3.6
173.13364	1.3
177.00797	1.5
187.14439	2.9
198.11247	4.5
203.05231	1.7
215.13901	22.5
216.12291	100.0
217.12610	2.6
219.01552	1.1
226.10706	1.5
227.89761	1.1
231.10181	1.9
233.14944	56.5
234.15234	1.8
234.50758	1.0
244.18614	1.0
290.13785	1.7
295.20212	2.3
313.21161	6.8
331.23627	7.8
377.24185	4.3
395.20313	54.3
395.25333	95.5
396.20609	4.0
396.25595	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	395.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	3.1
55.01845	2.3
55.05509	7.2
56.96558	1.8
57.03413	2.0
57.07041	1.5
59.04999	0.8
65.03929	1.7
67.05505	25.2
69.03398	3.0
69.07066	10.1
70.06557	1.0
71.04964	2.1
71.06483	0.7
71.08630	18.1
72.04494	1.2
73.02916	4.5
74.02444	4.7
77.03869	0.9
79.05492	46.3
81.03421	7.7
81.07057	30.3
82.02942	11.5
83.01339	5.7
83.04958	2.1
83.08588	1.3
84.04489	1.8
84.08169	0.8
85.02906	4.7
85.06522	1.5
86.09681	3.0
88.11269	54.5
91.05486	28.5
92.05711	0.7
93.07043	41.2
94.07332	1.1
95.04964	15.0
95.08620	5.4
96.04472	1.2
97.02875	2.3
97.06503	1.6
98.20712	2.1
98.97569	1.2
99.05556	1.5
100.03976	10.7
101.02380	3.9
102.05531	2.0
103.05464	2.8
105.04499	1.1
105.06376	1.3
105.07029	16.7
107.04960	13.3
107.08597	19.3
109.02860	1.6
109.06521	16.6
109.10145	2.1
115.05425	2.7
116.98598	1.7
117.07023	12.4
118.05013	5.0
119.03384	2.1
119.07799	0.8
119.08591	10.7
121.06496	13.0
121.10117	3.4
123.11642	1.4
127.03821	1.1
128.06113	1.1
129.06967	2.1
130.07793	5.8
131.08549	1.3
132.25668	0.9
133.10086	4.3
134.09653	1.0
134.99593	1.2
135.08002	1.5
135.11687	11.7
141.13847	2.3
143.08563	3.4
145.10123	26.0
145.11270	1.4
146.04482	53.5
147.04613	1.0
147.08063	2.1
147.11642	0.8
152.10728	1.1
158.99699	0.8
160.11209	1.3
161.09671	1.0
162.12718	1.0
163.11176	15.6
168.17484	1.1
169.13365	49.6
170.11784	0.9
172.13300	2.0
177.00702	0.9
187.14491	3.2
198.11214	3.3
205.08600	1.0
215.13911	22.7
216.12306	100.0
217.12643	2.3
219.01712	1.4
226.10716	1.9
233.14964	52.1
237.02756	1.8
275.06131	1.2
295.20132	1.4
308.14883	1.1
313.21155	3.9
331.23822	8.3
349.24982	0.9
369.45914	1.2
377.24393	6.1
380.22092	0.9
395.21381	2.9
395.25403	76.0
396.25769	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63326	2.7
53.03950	2.9
54.83111	3.2
56.96558	17.9
57.25140	2.9
63.23225	3.2
67.05489	3.5
70.06583	6.2
70.93777	6.5
70.94116	4.8
75.07871	3.2
77.30838	2.9
79.05500	5.4
79.45503	3.1
81.03422	6.2
81.07038	6.4
84.04547	3.2
84.08127	4.8
84.96030	3.2
85.02880	6.2
86.09692	8.7
91.05482	10.8
93.07027	7.7
95.04959	4.5
95.08611	4.8
97.02873	3.9
97.96815	6.7
98.97578	34.8
105.07030	4.5
107.04974	3.5
107.08585	8.7
109.02872	4.9
110.97588	6.3
116.98605	22.5
117.07063	4.2
121.10127	4.8
124.43702	3.2
127.03943	6.8
128.98578	14.3
131.00107	3.3
134.99686	8.7
141.92569	3.1
146.99663	14.4
147.04420	6.2
149.01196	5.0
150.26643	3.4
158.99635	8.1
161.01311	4.9
162.99113	3.7
170.99649	5.1
177.00703	10.4
187.11137	3.0
203.06953	5.5
207.03328	8.7
219.01747	14.0
225.04384	7.3
229.15549	3.9
237.02734	37.0
255.03958	5.8
309.06412	21.7
327.07480	100.0
327.11356	5.0
351.07175	3.9
369.08636	8.7
395.07330	13.4
395.16620	12.7
395.21527	14.5
417.37582	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	394.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
55.01865	7.4
55.05507	8.3
56.96556	3.1
57.03431	8.6
57.07072	3.1
61.02928	4.7
67.05501	6.9
69.03431	42.8
69.07070	74.9
70.06620	2.1
70.07004	10.7
71.04990	6.8
72.73385	1.8
73.02912	6.3
79.05495	3.5
81.03416	29.8
81.07056	9.2
82.99642	1.8
83.04978	1.9
83.08607	3.6
85.02905	100.0
85.06551	5.5
86.09702	3.1
87.00832	38.3
87.04515	1.9
91.05473	5.5
92.14811	2.4
93.07039	8.8
95.08604	6.4
96.69238	1.9
97.02893	31.9
99.04455	12.1
99.08112	2.4
105.01862	39.5
105.07027	6.9
107.08603	6.5
108.04493	3.6
109.02888	23.1
109.10149	6.9
111.04436	3.7
111.08076	20.9
111.11720	20.6
115.03942	4.5
117.07038	2.2
119.08598	6.8
121.06522	5.6
121.10123	3.4
123.11716	5.8
126.05497	2.9
127.03923	64.3
127.11199	9.1
129.01842	4.3
129.05452	2.0
129.12764	12.3
131.08572	5.0
133.10158	6.1
135.08105	1.9
135.11667	3.1
137.05898	2.5
139.07541	8.0
139.11140	4.6
141.12755	8.5
142.21774	1.8
145.04958	21.0
145.10159	3.3
147.11703	2.5
151.11168	3.6
155.54140	1.9
159.02933	13.7
159.11740	3.9
161.09676	4.0
161.13312	4.7
161.82359	1.8
165.12764	2.7
169.12251	5.3
177.12733	3.4
179.10670	6.3
179.14296	4.7
189.03790	2.0
195.13788	3.1
201.12730	3.9
213.03883	2.1
219.13780	11.7
231.05084	14.8
237.14877	10.6
323.14886	19.0
341.15945	6.4
394.24161	2.6
394.31036	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3361
Annotation	Phaffiaol
Peak:m/z	Relative Intensity
55.05508	6.8
57.07082	10.0
66.28041	1.8
67.05499	4.5
69.07051	4.7
71.08630	6.6
71.60748	2.6
71.61122	2.0
81.03461	1.9
81.07051	2.9
83.08609	5.0
83.80633	1.9
85.10163	3.4
91.00573	1.8
95.04971	3.8
95.08591	3.4
98.98465	8.9
109.10162	1.9
123.04421	100.0
137.05969	3.4
155.01018	11.1
172.82643	1.9
198.76726	2.0
302.26044	1.8
362.15488	2.0
371.18753	2.5
375.32571	24.9
396.83551	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01866	6.5
55.05502	3.3
56.05032	3.0
56.96555	3.8
58.99575	10.6
60.04530	1.6
60.47250	1.3
61.01137	2.8
62.99067	5.2
65.03934	1.6
67.05486	4.1
69.03427	3.6
69.07065	55.5
69.82873	7.5
70.06580	5.1
72.08125	2.7
74.00662	4.1
74.06122	1.4
76.03996	4.1
79.05489	1.4
81.03399	2.1
81.07055	2.2
83.04975	5.7
83.06087	2.7
84.04502	35.9
84.08134	3.1
85.02900	5.1
86.09699	2.6
86.99044	9.0
87.08092	1.4
88.02200	3.9
89.03898	2.8
91.05476	3.2
93.07036	9.0
95.04972	2.6
97.02902	1.6
99.05585	1.9
101.04227	2.5
102.05492	1.6
102.26441	1.3
105.00078	1.4
105.16764	1.3
107.04923	3.3
110.08982	1.3
111.04457	3.8
112.03957	7.5
115.19917	1.2
116.01671	47.8
116.07078	1.5
116.98606	1.7
119.05279	12.1
120.08130	3.3
121.02830	1.9
127.03902	1.7
127.05789	9.7
129.05635	2.2
129.06609	8.6
129.10272	1.8
130.05002	30.8
134.03590	3.2
135.04399	4.2
139.03902	3.2
144.01135	19.2
145.02812	1.9
145.05057	1.4
145.06856	26.3
146.04387	1.4
146.06001	2.6
147.04420	3.9
161.01181	2.3
162.02182	42.2
162.03401	2.6
162.09473	8.1
163.03912	11.3
173.06305	2.5
173.25975	1.2
174.05431	1.5
175.03923	2.0
176.07051	2.7
191.07372	3.8
202.05022	9.2
220.06053	4.7
230.08502	7.5
237.00586	1.4
247.09314	4.5
248.09505	100.0
249.09755	1.3
255.01845	1.6
265.12164	20.2
274.54425	1.3
301.12048	1.4
307.05087	1.3
319.13184	21.4
355.25107	1.1
376.15002	1.5
394.16287	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	393.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.1
57.07069	2.5
71.59090	1.1
71.59489	1.2
81.07063	1.5
91.05469	1.4
95.08604	1.0
159.11671	1.2
309.20108	1.2
312.28006	0.9
375.24887	2.3
383.12988	1.0
393.26099	100.0
394.26401	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
56.96550	1.6
57.07080	1.3
67.05489	1.8
69.07081	1.0
70.38874	2.0
79.05482	1.2
81.07029	4.2
91.05491	1.1
93.07033	1.9
95.04958	0.8
95.08598	2.3
109.10163	1.5
133.10091	1.1
145.10150	1.1
145.15456	0.8
145.62473	0.9
147.11641	1.2
149.05977	1.4
150.68927	0.8
155.01030	1.3
157.10092	1.0
159.11667	0.9
185.46364	1.0
208.01682	0.8
241.11115	0.9
253.11203	2.8
259.12183	2.3
271.12115	6.4
294.13739	1.1
393.26077	100.0
394.25928	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	393.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
55.01860	7.1
55.05501	1.3
57.03439	3.3
57.07071	14.8
69.07063	4.2
69.25858	1.3
71.04755	3.9
71.08624	13.5
81.03424	7.8
83.08614	3.2
85.10167	9.2
95.08590	1.8
97.10159	2.1
101.68184	1.3
109.02854	9.1
115.03905	6.5
123.04418	1.4
127.03907	100.0
128.04274	1.4
141.04297	1.2
141.05457	4.1
153.77737	1.7
155.07057	2.1
169.08604	5.4
183.10205	5.4
191.46761	1.4
197.11713	5.7
211.13240	3.6
212.77130	1.6
225.14836	3.3
235.38808	1.4
239.16455	5.7
253.18030	4.0
267.19565	5.2
281.20999	2.4
288.88467	1.7
295.22580	2.3
309.24136	1.8
323.25751	3.6
337.27203	1.8
393.33578	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	393.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13157	0.5
53.95452	0.6
55.05309	0.5
55.05508	5.5
57.03437	4.7
57.07072	34.9
67.05168	0.8
67.05503	13.1
69.06786	0.7
69.07069	7.1
71.08629	24.9
79.05458	1.4
81.07047	17.1
82.07379	0.6
83.08611	11.9
85.10174	13.5
90.28732	0.6
93.07043	1.2
95.08601	22.6
96.87702	0.6
97.10168	4.6
98.21460	1.2
98.98459	65.6
99.11710	0.8
109.10151	11.4
111.11707	1.4
113.09639	0.6
116.99500	2.5
119.08583	0.9
123.11684	4.5
124.99966	0.7
125.13274	1.1
137.13240	1.9
143.08553	0.6
150.04610	0.6
151.14813	0.7
155.01030	100.0
156.01411	0.9
165.16412	0.6
173.02150	1.0
190.49304	0.6
221.22711	0.8
230.16623	0.6
239.23709	7.6
393.23672	0.8
394.29504	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	393.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82842	0.7
54.06169	0.6
54.97592	0.6
55.05305	0.6
55.05508	7.2
57.03428	4.5
57.07072	36.2
58.06588	0.7
67.05497	14.9
69.07062	8.9
69.43909	5.3
71.08626	24.0
79.05475	1.5
81.03410	0.9
81.07056	17.0
83.08618	12.7
85.10183	14.0
91.05502	0.8
93.07027	1.9
94.06575	1.0
95.08598	26.7
97.10172	5.4
98.98460	66.8
99.11741	0.9
109.10146	11.7
111.11697	2.2
113.00036	0.7
116.99483	2.6
119.08617	0.8
121.10143	0.8
123.11692	4.8
125.13213	1.2
137.13271	3.4
140.01038	1.0
151.14854	1.2
155.01030	100.0
156.01344	1.1
165.16376	0.7
173.02075	0.9
190.73573	0.7
218.21776	0.6
221.22630	1.0
239.23717	8.7
270.43427	0.6
317.91782	0.7
394.29462	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	393.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72979	14.4
66.20210	13.2
71.13653	26.2
76.16345	13.3
78.95058	13.5
93.61371	12.7
247.14738	13.9
360.89651	15.8
393.05835	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30289	4.7
72.08154	0.5
81.03403	0.8
86.09707	1.1
90.23232	0.5
98.20779	0.8
105.07022	2.4
109.03947	0.4
115.05473	0.4
119.01878	0.8
120.08103	2.8
126.67680	0.4
129.10172	0.5
145.03455	0.6
145.06328	0.6
145.12248	0.6
147.15581	0.5
161.02966	0.5
201.12448	0.5
221.04942	0.8
223.10890	0.6
237.00609	0.8
247.08206	0.5
271.04166	1.6
306.30710	0.4
307.11478	4.4
331.11514	0.8
349.12549	33.6
350.12930	1.7
393.11526	100.0
394.11896	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56171	2.4
52.00407	2.8
53.03938	6.0
55.01852	2.9
55.05499	8.4
56.96560	8.3
66.65543	2.5
67.05502	28.7
69.03411	10.6
69.07063	21.7
69.49898	2.6
70.06580	5.1
70.75677	5.1
70.76011	4.2
74.02445	7.0
79.05053	4.7
79.05490	56.8
81.03406	11.0
81.07052	35.1
82.02950	3.3
83.04985	3.8
84.08134	8.5
85.02901	9.6
85.08913	3.2
86.09702	100.0
87.00830	5.1
91.05479	32.5
93.07041	44.0
95.04971	17.7
95.08582	10.4
96.08154	5.2
97.02893	7.4
97.06534	3.3
98.97590	3.8
100.03937	2.7
103.05488	3.4
105.07038	24.9
107.04951	25.2
107.08598	24.1
109.02883	7.8
109.06503	17.3
115.05441	2.8
117.07010	12.2
118.05036	3.2
119.08566	12.4
121.06491	19.1
121.10146	8.5
122.09645	9.8
123.04392	3.5
125.75066	2.5
127.03912	6.1
129.06996	3.3
130.07790	5.0
133.10089	6.3
135.11734	12.5
137.05931	3.3
139.12292	4.4
143.08563	7.8
145.10103	24.4
146.04454	8.6
147.07983	3.4
147.11626	3.1
149.13120	2.8
150.09161	9.0
154.15265	2.9
157.10011	3.7
163.11180	15.8
167.07062	2.7
167.11812	12.9
185.12944	3.3
196.09720	6.5
213.12387	15.9
214.10725	66.0
231.13414	47.5
237.00632	5.9
239.07050	4.2
266.74344	2.8
299.09134	3.2
301.22729	5.0
303.61646	3.4
311.19647	4.1
375.18167	5.6
375.22720	5.5
393.14658	3.5
393.23825	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39742	0.8
53.03928	2.9
55.01857	1.1
55.05508	6.8
56.96544	2.2
57.03428	1.4
57.07065	2.1
65.03935	2.1
67.05168	1.5
67.05504	22.8
69.03406	2.6
69.07064	23.8
70.06577	3.3
70.13228	0.9
71.04991	1.2
71.59776	1.2
72.04514	1.8
73.02905	1.4
74.02443	8.1
79.05491	42.6
81.03409	6.3
81.07055	28.9
82.02930	2.6
82.06586	1.3
83.04975	2.4
84.04491	1.6
84.08134	9.1
85.02895	3.5
85.08921	3.1
86.09701	100.0
91.05476	26.2
92.70020	0.9
93.07043	38.6
94.06539	1.1
95.04959	17.0
95.08620	6.0
96.08131	5.1
97.02892	1.3
97.06539	1.6
98.97573	1.4
99.05573	2.6
100.03982	4.4
102.05538	1.1
103.05486	1.7
103.72827	0.8
105.07025	17.0
107.04957	12.9
107.08585	21.3
108.08144	1.1
109.06506	14.8
109.10127	2.3
110.06033	1.0
112.54328	1.0
115.05446	2.6
116.98665	1.1
117.07022	12.0
118.05004	4.3
119.08584	8.2
121.06503	11.9
121.10127	2.9
122.09666	11.3
123.11709	1.3
124.07571	4.5
127.03883	1.8
128.03424	1.2
128.06186	1.4
128.98550	1.0
129.06941	1.7
130.07811	4.5
131.08583	1.0
132.08060	1.1
133.06496	1.3
133.10115	4.9
135.08057	2.4
135.11682	13.4
137.06001	1.6
139.12303	2.2
140.10712	1.8
142.08676	0.9
143.08568	2.1
145.06073	1.4
145.10110	26.7
145.11266	1.5
146.04491	8.8
150.09137	11.4
156.98637	1.0
162.12788	1.4
162.35384	0.8
163.11171	18.7
164.11636	1.0
167.11797	13.9
168.10226	1.1
168.32813	0.9
170.11746	2.5
183.11748	0.9
185.12924	2.7
196.09705	5.5
198.11198	1.8
213.12334	18.0
213.14229	1.5
214.10727	80.0
215.11111	1.4
216.13812	1.3
226.10762	2.3
231.13377	37.9
232.13683	1.0
244.13342	1.9
280.15482	1.3
293.18549	1.3
301.22498	0.9
308.14902	2.8
311.13739	0.9
311.19638	5.0
329.22134	4.5
375.22803	5.4
393.23810	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01868	3.6
55.05509	8.5
56.05022	2.2
56.96560	2.9
57.07078	1.1
58.99575	5.0
61.01147	3.2
65.03913	1.1
67.05506	2.3
68.05045	1.3
69.03427	2.6
69.07065	1.5
70.06590	6.8
71.04990	1.5
71.57572	1.7
72.08150	0.9
73.01125	5.3
74.00665	1.1
74.02456	0.9
76.02226	11.2
76.03992	1.3
79.05480	1.3
80.05033	1.0
81.03418	2.4
81.07050	2.2
82.06579	1.0
83.04990	9.7
83.06087	1.8
84.04501	26.4
84.08143	14.2
85.01134	1.5
85.02901	2.8
85.06532	3.6
86.09710	2.7
86.99037	2.0
87.02695	4.6
88.02206	7.8
88.03953	1.0
91.05485	2.0
94.06582	1.3
96.08127	9.4
97.02920	1.1
98.97558	1.3
99.02670	1.7
99.04439	1.4
100.02195	2.6
102.05529	1.6
107.04962	0.9
108.08105	7.0
109.02884	1.0
109.08852	1.0
110.07150	1.0
112.03961	2.8
113.04259	1.7
115.05807	5.9
116.01674	14.9
116.02493	1.3
116.05318	6.0
116.07069	1.0
116.98560	1.8
117.03716	22.0
119.04980	1.5
120.08112	2.3
125.04239	1.4
126.03765	2.6
129.06592	4.5
129.10237	2.2
130.05000	14.2
130.08629	3.9
134.99658	1.1
135.04376	1.2
142.03296	1.5
142.06862	35.7
142.08530	5.1
143.05266	13.1
143.06995	1.1
144.01138	5.5
144.04774	5.6
145.02878	1.5
147.04448	3.8
149.02373	3.1
153.05458	1.2
160.07918	17.2
161.01250	1.6
162.02193	16.3
163.03896	6.8
170.06503	1.0
174.02299	1.0
179.04852	3.0
199.08963	1.3
200.09256	1.0
217.11781	1.4
217.13847	1.5
218.12225	1.9
218.97397	1.7
221.39786	1.2
230.04955	1.2
236.98442	1.2
237.00600	1.5
237.02803	1.0
245.09550	100.0
246.07843	1.8
246.10199	1.6
254.00853	1.9
255.01770	2.4
273.02844	1.4
287.00085	2.3
299.10547	3.1
317.11615	8.6
374.14050	1.1
375.12259	1.1
392.14743	2.4
393.05920	1.0
411.06027	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
55.01854	2.4
55.05513	11.0
57.07077	5.7
59.04986	2.8
65.03928	3.3
67.05510	14.9
69.03431	5.6
69.07077	6.0
69.80010	1.8
70.77524	3.5
70.77870	3.3
73.46341	2.2
79.05484	20.6
80.09728	1.8
81.07052	29.6
81.07447	2.6
83.05002	2.5
83.08628	4.0
91.05473	27.7
93.07040	24.9
95.04964	31.9
95.08601	18.4
96.51000	1.7
97.06555	5.8
102.10034	2.2
103.05506	3.8
105.07028	49.7
107.05022	2.1
107.08595	19.0
107.09190	2.0
109.06550	7.9
109.10172	5.7
115.05466	4.7
116.06281	2.2
117.06362	2.6
117.06994	12.7
119.08575	40.1
121.06484	9.7
121.10149	14.2
123.08095	4.4
123.86715	2.0
128.06264	8.0
129.07019	10.5
130.07819	6.8
131.08563	20.8
131.09335	2.2
133.10123	15.1
135.08081	4.1
135.11662	2.5
138.93884	2.0
141.07056	8.2
142.07773	12.6
143.08551	26.8
144.09399	6.5
145.10130	33.9
147.08141	5.9
147.11711	6.2
149.02422	6.6
149.09656	4.0
153.07100	2.3
155.08554	14.0
156.09384	8.3
157.10121	28.7
158.10861	4.3
159.08093	5.3
159.11671	11.1
161.09702	6.1
163.07574	3.5
163.11165	3.3
165.07066	5.0
167.08675	6.1
168.09386	3.5
169.10121	15.4
170.10895	3.4
171.11699	14.9
173.09738	6.0
173.13264	12.9
175.11211	3.4
175.14816	3.3
178.07834	3.3
179.08525	11.5
180.09390	5.4
181.10104	12.2
182.10992	7.7
183.11662	15.4
184.12611	3.1
185.09674	3.8
185.13286	5.1
187.11235	4.3
189.12799	2.6
191.08537	3.0
191.14403	2.5
192.09404	6.0
193.10110	11.6
194.10976	7.6
195.11662	13.8
196.08914	2.2
196.12613	3.8
197.13242	12.2
199.11281	8.8
205.10243	5.7
206.10988	6.3
207.11740	16.9
208.12604	4.8
209.13217	11.6
211.11176	3.5
211.14801	9.9
213.12712	3.4
216.09541	2.4
217.10187	3.5
218.10954	2.6
219.11804	5.2
220.12576	4.0
221.13286	11.8
222.14146	3.1
223.11293	3.4
223.14848	10.3
225.12804	3.1
227.14481	4.0
227.45496	2.1
229.10274	2.8
231.11763	4.5
232.12613	6.1
233.13333	7.2
233.15433	4.8
234.14073	5.4
235.14890	9.3
237.12868	4.0
237.16454	3.1
241.12161	2.2
243.11728	5.1
245.13319	4.4
247.14941	4.9
249.12988	2.6
249.16489	7.5
251.14485	5.9
251.18002	4.6
257.13358	2.7
259.14999	5.0
260.15802	3.3
261.16434	3.9
263.18082	5.0
264.18701	2.6
267.17328	3.0
269.19101	3.2
273.16589	3.7
275.17950	4.1
277.19452	2.4
279.17682	3.9
281.19077	2.3
282.19824	5.5
289.19778	3.0
291.17542	4.0
295.20718	4.1
297.18661	4.2
317.19147	3.8
335.20334	6.2
355.24466	2.9
373.25247	16.4
391.26013	100.0
391.36545	7.0
392.25165	3.3
401.73602	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50433	1.1
53.07537	0.9
56.48724	1.0
57.07050	2.2
60.92258	1.0
63.59525	1.0
65.05039	0.9
67.05500	2.0
71.59658	1.1
79.05508	1.0
81.07053	2.6
86.09729	1.2
95.08619	1.8
105.06990	1.5
121.10083	1.3
135.11684	1.1
143.08388	1.1
145.02898	1.2
149.02339	10.8
149.46632	1.2
157.10178	1.1
163.00383	1.2
167.03413	1.9
174.07101	1.0
175.79553	1.0
177.05458	3.2
178.96175	1.5
194.72696	1.0
212.93559	1.3
282.42767	1.4
285.29718	1.9
329.32468	3.8
335.18820	1.1
391.24524	100.0
391.35751	13.8
392.25009	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	0.4
55.05499	0.8
55.29118	0.4
57.07064	0.9
67.05501	0.5
69.07055	1.1
69.44728	1.1
69.45150	2.2
70.06580	0.7
71.08624	0.8
79.05527	0.5
81.07056	1.1
81.94470	0.3
83.08604	0.4
93.07023	0.6
95.08570	0.4
95.53568	0.3
97.10172	0.4
102.10606	0.4
105.06964	0.5
123.04401	1.0
149.02328	3.6
150.39485	0.4
151.47636	0.4
165.74348	0.4
167.12912	0.4
224.83278	0.4
226.30042	0.4
233.38695	0.4
237.22047	0.4
329.32379	1.0
376.26721	0.4
391.24548	100.0
392.24771	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	391.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25313	1.0
52.71215	0.9
56.96560	2.0
61.02913	1.0
67.05482	1.7
69.03444	0.9
71.60331	1.4
79.05489	1.3
81.07059	1.4
82.06567	1.4
84.08070	1.0
85.02880	1.8
91.05447	2.1
93.07034	1.2
95.08628	1.7
149.02319	9.6
225.12717	0.9
238.17020	1.1
344.14737	1.0
351.18417	2.4
364.70602	1.0
369.19556	2.0
391.24524	100.0
392.25015	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	391.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	3.0
57.07067	2.7
61.02911	1.0
67.05504	1.9
69.03397	1.2
70.06593	2.2
71.08630	1.5
71.60296	1.6
81.07043	2.1
82.06564	0.9
85.02891	1.0
88.07632	2.2
91.03996	1.0
91.05446	1.3
93.07054	1.5
95.08595	1.5
97.02895	1.0
102.09184	0.9
105.07006	0.9
107.08619	1.3
116.98598	0.9
149.02324	9.9
167.03394	1.1
169.09958	0.9
173.11899	0.9
177.00648	0.8
177.90718	0.8
199.06467	1.0
199.17957	0.8
253.59386	0.8
267.08987	1.1
269.10654	1.4
271.12057	0.9
273.09985	0.9
276.13031	0.8
280.12527	0.8
284.29599	0.9
285.10013	1.4
285.29825	2.4
287.11609	0.9
321.16925	1.5
338.17136	0.8
349.16840	1.9
351.18567	1.1
368.18021	1.1
369.19455	3.5
391.24533	100.0
391.35489	9.0
392.24976	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	391.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01870	7.9
55.05506	26.8
57.03434	7.1
57.07074	13.0
65.03928	1.7
67.05499	23.5
69.07063	34.2
71.08618	7.8
71.51236	2.0
79.05489	13.5
81.07050	29.2
83.04987	1.6
83.08615	32.1
85.06512	1.3
85.10159	2.0
87.36496	1.3
89.25482	1.1
91.05467	4.5
93.07029	16.3
95.04978	2.6
95.08026	2.4
95.08589	16.3
95.89040	1.3
97.06535	7.9
97.10165	18.6
98.98457	88.6
99.08076	1.7
101.06995	1.4
101.17794	1.2
105.07011	2.4
107.08587	10.5
109.10152	7.7
111.08073	5.5
111.11709	3.9
116.99501	3.8
119.08578	2.7
121.10135	17.7
123.11714	5.0
125.09628	2.6
131.08582	1.5
133.10120	1.6
135.11688	14.9
137.13248	5.4
140.01064	1.4
145.10092	2.1
149.02327	9.1
149.13249	6.5
155.01030	100.0
160.26566	1.1
163.14874	1.7
172.95215	2.2
175.18581	1.5
177.16655	1.6
190.96312	2.1
195.12071	1.3
196.03654	1.8
219.21054	9.6
237.22113	24.9
285.10126	2.1
356.35922	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	0.6
57.07053	0.5
58.22800	0.3
59.19676	0.3
63.08971	0.3
67.05496	0.6
67.14228	0.3
70.22118	0.9
70.22514	0.8
71.08636	0.4
72.26268	0.3
79.05496	0.4
81.07035	0.4
88.88927	0.3
91.05447	0.4
95.08582	0.3
100.30456	0.3
105.07014	0.6
107.08590	0.3
119.08566	0.4
149.02347	3.6
167.03389	2.1
182.72890	0.4
269.08118	0.8
321.16608	1.8
350.17184	0.5
351.18607	0.6
368.18210	0.7
369.19598	0.9
391.24521	100.0
392.24817	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	391.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	1.8
63.36662	1.1
68.05025	8.4
69.03423	12.2
70.06593	1.6
70.56371	3.9
70.56721	1.1
72.04522	4.8
72.08140	1.4
73.02912	1.1
74.02431	8.7
74.06087	1.3
78.83904	1.0
80.05031	1.3
80.65886	0.9
81.03413	30.0
81.19242	1.0
82.02937	2.8
82.06583	2.6
82.61015	1.0
83.04961	5.0
83.06128	1.2
84.04508	16.9
86.02440	2.6
86.06079	1.9
88.03986	40.8
96.04501	6.9
98.06046	3.6
99.04460	12.1
99.05572	3.6
100.03968	8.6
101.02385	1.5
102.05545	5.8
110.37757	1.0
111.05571	11.8
112.04005	1.6
113.07265	1.1
114.05554	2.2
116.03453	1.2
116.07125	2.5
118.05014	9.0
124.03925	1.6
125.49938	1.0
126.05505	1.1
128.03398	1.2
129.06607	5.1
130.04997	51.8
140.03400	2.0
141.06615	1.9
142.04997	4.4
145.06047	1.6
146.04477	57.4
146.23518	1.1
148.39577	1.0
149.02393	1.2
152.07137	1.2
157.06081	30.1
158.04478	14.6
163.07130	4.8
175.07140	100.0
180.06523	1.3
187.07205	1.1
188.05560	1.6
205.08237	4.3
226.07085	10.2
243.09747	7.9
244.08218	1.1
275.12469	1.1
293.13446	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.05510	1.7
56.05032	16.7
56.31438	1.1
56.96553	3.8
57.03428	1.6
57.07064	1.3
58.06594	9.3
60.04546	1.2
62.54208	0.9
65.03943	1.8
67.05477	3.4
68.05005	1.6
69.03416	2.9
69.07071	1.2
69.54838	1.0
70.06580	2.9
70.12984	1.8
70.13388	3.2
71.08617	1.7
72.04526	1.4
72.08139	2.5
74.06075	75.3
76.02183	0.8
79.05490	2.1
81.03397	3.6
81.07041	2.3
82.06578	3.0
83.04981	2.1
83.06078	1.6
84.04501	19.2
84.08117	3.4
85.01065	0.9
85.04833	1.4
86.06055	4.3
86.09699	60.3
87.05577	2.7
87.10070	1.1
88.03980	2.3
89.03922	1.1
91.05459	1.6
93.05756	1.4
94.06554	4.5
96.04409	1.2
98.06033	1.4
98.09689	2.9
98.97533	1.8
99.02654	1.9
99.05568	1.2
100.07612	2.1
101.07136	27.6
102.05532	2.7
106.06539	1.8
107.04944	1.3
110.06030	1.3
111.04408	1.2
113.04224	2.2
113.07131	1.0
114.05470	1.1
115.02132	11.1
115.03796	1.1
116.01700	2.4
116.02502	4.1
116.98591	1.7
117.01695	1.9
124.03951	1.8
124.11201	1.8
126.09138	1.9
126.12772	3.9
129.06558	1.3
130.04979	4.1
135.04349	1.6
140.05286	6.5
141.05579	4.5
141.06525	1.2
142.04926	2.3
142.06834	2.4
142.12271	12.7
143.11757	7.5
145.06038	1.3
146.04466	3.4
149.02319	15.8
152.10722	1.3
158.06331	1.6
159.06609	1.5
159.07675	12.6
162.02126	1.6
163.03841	4.6
167.03337	1.1
169.06079	1.9
169.13318	2.0
172.09671	1.3
175.07158	1.1
177.00717	1.6
177.08696	46.1
187.07152	3.6
187.14403	100.0
188.14731	2.4
193.82338	1.0
198.07648	1.5
205.08170	1.4
215.13881	30.7
216.14250	1.2
219.01730	1.2
223.07697	1.1
236.05807	0.9
237.00531	1.3
237.02809	2.6
243.07965	11.6
244.08241	20.5
245.07498	3.6
245.09731	2.0
246.08092	1.4
255.21260	1.0
272.16080	5.3
288.11801	1.9
312.15619	1.7
316.10458	2.2
316.18655	4.0
338.56992	1.2
373.20868	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43303	1.6
53.03945	1.6
54.03461	5.5
55.01851	2.8
55.05505	2.3
56.05022	3.4
58.99580	2.1
59.07135	2.0
59.11927	1.6
69.03407	3.4
69.07060	2.0
70.06574	4.3
71.04298	2.2
71.04646	4.1
71.06107	1.8
72.04507	19.1
72.08144	2.8
73.02903	2.4
74.02031	2.3
74.02438	47.6
76.02203	5.4
79.05463	2.5
80.04990	3.1
81.03405	11.7
82.02938	25.9
82.06566	3.4
83.01324	3.5
83.04976	20.0
83.06107	4.1
84.04037	2.6
84.04504	37.8
84.08117	6.2
85.01133	3.3
85.02906	3.5
86.09698	25.8
87.02672	1.7
93.05756	4.1
94.06567	12.1
96.04458	2.7
98.06034	6.7
99.04524	3.3
99.05569	63.7
99.06220	3.4
100.03970	23.7
102.05519	7.9
108.04424	2.5
110.07151	5.7
113.04206	6.9
115.02142	29.2
116.01662	1.8
117.06592	10.0
118.05006	35.6
126.05472	2.8
128.03441	3.5
129.06583	4.9
129.10234	4.7
130.04974	7.5
132.10153	4.7
136.03918	6.5
136.07547	1.9
140.05266	20.1
141.06529	1.7
142.04973	2.3
142.12242	5.6
145.06075	22.7
146.04474	100.0
148.05997	4.2
154.04927	4.7
155.41873	1.8
157.06236	2.1
158.06325	7.7
162.02232	2.6
163.07130	97.4
172.05980	3.0
175.07181	3.9
179.04785	2.9
181.06093	4.9
182.04521	2.4
197.07477	2.9
197.12852	2.1
197.31108	1.9
199.07108	7.5
200.05505	3.1
209.05554	11.0
211.43495	2.0
215.13937	4.4
227.06601	23.9
243.07948	54.8
243.10327	3.0
243.13330	5.1
244.06348	2.1
245.07687	14.5
246.05948	2.3
259.09216	3.2
272.08817	3.4
273.07071	6.6
290.09772	7.6
291.08099	4.0
297.09042	1.9
308.10806	26.2
315.10062	4.7
390.13361	2.0
390.18195	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	390.195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96290	3.1
56.96564	59.2
62.80477	1.9
66.60401	1.9
67.05470	2.2
67.55309	2.0
70.77854	2.1
71.60064	4.5
71.95262	4.6
72.96033	3.2
73.76176	1.7
91.05505	2.2
105.28143	1.9
128.98586	4.2
134.99582	2.3
139.00615	2.4
145.01724	2.1
146.99632	7.0
149.87358	2.1
155.03807	2.6
159.03264	3.3
165.00731	2.2
169.01772	2.2
171.03261	6.6
173.04857	4.3
185.04851	7.7
189.04344	9.6
191.05907	2.3
199.06459	7.6
203.05905	11.7
211.06407	3.9
211.09891	2.2
213.07939	15.2
217.07423	19.0
225.07913	8.3
227.09381	3.2
229.07391	4.6
231.09024	22.6
233.64851	2.2
234.19945	2.2
239.09573	7.9
243.09093	7.2
245.10687	2.9
247.08398	2.4
249.07956	6.1
251.09627	11.9
255.09045	24.6
257.10623	4.0
267.09055	27.8
269.10593	100.0
273.10126	20.8
278.10800	2.9
285.10101	50.7
287.11627	48.5
290.10580	4.1
292.12067	11.3
303.11130	6.1
308.11609	6.1
310.13159	2.9
331.15814	7.8
349.16858	29.4
367.13693	4.1
367.17944	53.0
372.18390	3.6
385.18951	6.4
390.19403	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	390.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17593	2.0
56.96566	77.6
70.06573	2.3
70.80623	2.0
71.13316	2.2
71.95258	4.8
73.65388	2.3
78.37766	2.1
81.07105	3.4
84.19221	2.1
98.21518	6.0
104.51992	2.9
116.98672	2.9
123.01245	2.8
128.98631	5.6
133.01761	2.5
134.99678	3.9
137.02823	2.6
137.05989	17.0
146.99686	8.2
155.03763	3.6
167.78111	2.2
169.01814	5.0
171.03311	8.3
173.04968	2.2
175.02911	4.1
179.07304	2.6
183.03426	2.2
185.04849	7.4
187.02786	4.3
189.04329	11.8
195.06946	2.5
197.04874	3.0
199.06366	11.9
201.04344	3.5
203.05980	17.1
206.04379	2.7
211.06384	5.5
213.07967	9.6
217.07439	21.3
225.08022	9.1
227.09525	4.5
229.07416	4.2
229.57945	3.5
231.07068	5.3
231.09061	16.5
237.07936	5.7
239.05988	5.5
239.09552	9.1
243.09109	11.8
245.10564	5.7
249.07974	7.7
251.09689	9.2
253.11240	6.2
255.09062	31.0
257.10736	6.9
262.11151	2.3
265.28818	2.5
267.09055	38.9
269.10587	74.7
273.10043	26.0
278.10703	5.3
285.10098	76.5
287.11661	37.5
290.10709	5.6
291.12585	6.0
292.12167	9.5
296.11502	3.1
297.10062	2.7
303.11197	6.9
307.12390	2.8
308.11691	10.3
309.13660	7.4
331.15753	16.0
349.16861	40.1
367.17963	100.0
372.18591	5.5
385.18970	12.3
390.18637	13.4
390.23740	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	390.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
53.03938	1.7
55.01860	0.7
55.05496	0.8
56.96555	0.4
57.03419	0.7
61.02918	0.4
68.42401	0.4
69.03424	2.6
69.07050	1.2
70.06597	2.3
70.10442	0.6
70.10838	1.3
71.04972	0.8
72.08131	1.0
73.02888	0.4
77.95908	0.4
79.05486	7.2
81.03410	3.1
81.05817	0.6
81.07058	1.0
84.04470	0.7
84.08147	1.7
85.02905	7.0
86.09708	2.0
87.00831	2.3
91.05461	0.6
95.04966	3.0
96.08105	2.4
97.02874	3.2
97.06506	0.5
99.04444	1.3
103.03975	0.5
103.05494	0.5
103.66735	0.4
105.01861	3.8
105.04498	0.5
105.07004	0.6
106.06546	0.4
107.04948	100.0
108.04523	0.8
108.05270	1.6
109.02877	3.2
110.07156	0.6
115.03881	0.5
119.04815	0.5
120.08086	0.8
121.06523	1.4
124.02159	0.5
124.07578	13.6
125.02322	0.6
126.05499	0.7
127.03899	5.8
129.01837	0.6
129.06909	0.4
129.10210	0.5
131.04927	0.7
142.08681	0.5
143.03317	0.5
145.04985	2.2
146.04466	0.6
147.02809	0.5
149.06009	1.9
159.02911	1.3
161.05978	1.3
163.04057	0.4
164.07939	0.5
173.05983	0.7
184.09749	0.8
187.07635	0.6
189.03909	1.6
191.07138	0.5
197.05850	0.6
213.03928	0.7
215.07024	1.8
229.03369	0.4
231.04999	2.3
243.08212	0.6
248.07620	0.5
249.06041	1.4
250.10880	0.6
284.09802	1.2
366.36310	0.4
390.14468	0.6
401.80429	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
54.03457	3.3
55.05486	1.1
56.05025	2.3
56.96565	5.0
58.99563	2.0
59.02975	1.0
69.03424	11.2
70.06544	1.3
71.06087	1.4
71.58186	1.9
72.04510	9.9
73.02887	1.9
74.02028	2.4
74.02437	42.5
79.05478	1.5
81.03412	12.3
82.02943	11.6
83.01342	1.5
83.06085	3.3
84.04499	47.6
84.08122	3.6
85.01111	3.0
85.02896	2.4
85.04781	1.9
86.09682	3.7
87.02682	1.3
93.05773	4.9
94.06566	10.4
97.01107	1.1
98.05994	1.3
98.97588	3.0
99.04451	5.9
99.05571	63.5
100.03970	18.5
100.88697	1.0
101.02375	1.1
102.05534	3.0
106.06544	3.2
107.07293	1.5
110.06055	1.2
113.04219	8.5
114.03765	1.3
115.02145	36.1
116.01686	2.6
116.98588	2.7
117.06617	10.1
118.05008	29.9
123.02615	2.3
129.06575	3.4
129.10245	1.4
130.05005	17.0
132.10170	1.4
134.40610	1.1
134.99629	2.8
135.04449	1.3
138.05481	2.9
138.63504	1.1
140.05276	26.3
141.03688	2.0
142.03180	1.1
145.06070	24.1
146.04474	100.0
147.04851	1.4
158.06352	10.2
163.03941	3.7
163.07130	97.9
165.06523	1.7
166.04974	1.7
172.04201	1.6
173.02518	1.4
174.02519	1.0
183.07584	1.1
184.06061	1.7
188.97038	1.9
190.98587	2.5
193.00194	1.2
194.04381	1.6
197.07423	5.0
202.98743	1.4
205.00134	1.6
206.98125	1.7
208.99661	1.1
211.07089	4.0
229.08141	3.2
229.77580	1.1
230.06656	1.3
230.98206	1.7
243.07976	69.8
244.08350	2.1
257.07501	2.0
257.31152	1.2
265.03751	1.1
274.10287	2.7
275.08600	2.7
281.01602	1.3
292.11386	28.3
297.08926	1.5
315.10129	6.2
357.21332	1.2
390.13196	1.2
406.27969	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
54.03478	2.7
56.96561	6.2
58.99560	2.4
68.74375	1.7
68.89970	1.4
69.03429	8.6
69.03780	1.7
69.88607	9.8
72.04516	10.6
73.02886	2.3
74.02443	32.6
79.05492	3.4
81.03411	10.2
82.02943	8.6
82.06565	2.2
83.06091	3.1
84.04501	43.7
84.08149	3.1
85.02893	2.5
86.09685	2.4
87.02682	3.3
88.99161	1.6
93.05785	5.2
93.96854	1.7
94.06562	12.0
98.97584	4.1
99.04459	6.0
99.05578	46.9
99.06217	3.4
100.03985	16.2
100.04617	2.5
102.05529	3.7
106.06557	3.3
113.04220	7.7
115.02143	38.5
117.06608	8.9
118.05018	23.6
123.02663	2.0
129.06596	4.9
129.10214	2.1
130.04999	12.0
138.05513	3.8
140.05296	29.5
145.06076	21.9
146.01302	2.6
146.04482	83.2
148.06024	2.0
158.04387	1.8
158.06358	10.9
163.07140	100.0
165.06541	1.8
166.05109	1.9
172.04314	3.5
190.98650	2.2
193.00197	2.0
197.07448	5.0
211.07193	4.6
229.08220	3.0
242.98351	2.1
243.07982	86.0
244.06226	2.4
244.08507	2.0
257.07697	5.7
265.06674	1.8
274.10434	3.0
275.08804	3.9
283.07632	2.4
292.11325	23.8
297.08984	3.9
306.49548	2.0
315.10190	9.4
390.13748	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	389.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71394	0.6
67.05502	0.8
71.60487	0.9
73.46899	0.5
73.85852	0.5
81.07031	0.7
85.72491	0.7
91.05473	0.7
105.06990	0.6
133.23402	0.7
165.12154	0.6
215.77835	0.6
230.87006	0.5
328.32138	0.6
368.31940	0.6
389.22964	100.0
390.23273	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	389.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.05495	4.8
56.96568	16.6
57.03424	2.1
65.03908	1.6
67.05495	10.8
69.07062	4.2
69.85538	1.5
71.59728	1.8
71.60182	1.7
71.95258	1.8
79.05483	6.2
81.07051	5.1
87.12985	1.3
91.05472	4.4
93.07036	4.0
95.04961	1.7
95.08604	5.8
105.07021	3.7
107.08600	2.5
109.10162	3.2
111.99980	1.7
113.45423	1.3
119.08543	2.3
121.00471	5.0
132.21832	1.4
143.01744	1.9
149.02350	11.5
177.00270	2.7
193.04968	5.9
197.01219	2.9
199.06403	3.6
211.06282	1.9
213.08047	2.2
215.02319	2.5
217.02545	3.6
217.07494	5.3
229.07497	12.9
231.09071	5.2
243.09038	5.1
247.08577	15.9
252.04811	3.2
259.01566	1.8
261.05231	3.3
261.10239	2.6
261.55231	1.8
311.08368	1.5
320.09067	5.0
349.16895	11.4
367.13995	2.7
367.18112	5.6
385.09128	4.0
389.22961	100.0
390.19003	2.7
390.23306	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	389.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86079	0.5
56.96550	0.8
67.05482	1.1
69.07052	0.6
69.39270	1.3
69.39680	4.0
81.07035	1.0
91.05460	0.6
93.07032	0.6
95.08608	0.9
107.08556	0.8
124.83167	0.5
189.00629	0.6
349.12988	0.8
349.17007	0.8
352.77747	0.6
366.14456	0.6
389.22958	100.0
390.23322	4.5
390.35617	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.23
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	6.6
67.05488	2.7
69.07063	1.4
70.06567	1.2
72.26279	1.1
81.07038	2.5
83.08611	1.4
91.05476	1.9
93.07066	2.6
95.08642	1.5
105.06984	3.0
119.08611	2.1
131.08565	2.4
145.10112	1.7
146.99734	1.8
167.52898	1.4
168.77524	1.2
229.07750	1.3
231.09065	2.1
267.09164	1.6
269.10635	2.7
285.10117	2.6
287.11722	1.5
349.16879	2.6
367.17767	5.5
389.22934	100.0
390.23264	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	390.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.3
56.05021	0.8
58.99585	4.3
69.83624	1.7
69.84044	1.4
74.00661	0.7
74.79976	0.4
75.01433	0.8
76.02209	1.1
76.04000	0.4
79.05495	3.5
81.03411	2.7
82.06586	0.6
83.04960	0.9
83.06078	1.3
84.04500	16.5
85.01125	5.3
86.00660	0.9
86.99537	0.5
87.02702	3.6
93.05778	7.2
94.06564	19.3
97.01106	2.0
99.02666	0.7
102.05489	0.5
104.02895	0.5
106.06545	5.2
107.07336	3.2
111.02682	1.2
112.03996	0.6
113.03505	1.0
113.04224	10.4
114.03741	0.8
115.02148	49.4
116.01662	2.8
116.02418	0.8
123.02605	2.7
124.67731	0.6
129.03719	0.7
129.06581	3.2
130.05005	3.4
140.05283	34.2
141.03690	2.6
141.05682	0.8
142.03235	0.5
144.01154	0.7
153.06575	0.8
158.06348	14.2
162.02179	1.7
172.04256	3.7
173.83640	0.5
181.06082	0.6
183.90074	0.5
186.05852	1.3
197.07420	5.7
224.07353	0.6
243.07979	100.0
244.06357	2.0
244.08611	2.3
246.98589	0.4
261.09003	0.9
272.81091	0.5
297.09073	3.4
315.10074	11.3
337.73697	0.5
390.13147	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
56.05019	0.9
58.99585	3.6
61.62604	0.5
69.03409	0.8
70.06570	0.6
70.41843	0.5
71.04053	1.1
74.00684	0.9
74.02440	1.1
75.01469	0.6
76.02225	0.8
79.05508	3.0
81.03404	4.3
82.06563	1.6
83.04971	1.2
83.06087	1.3
84.04502	16.5
84.08129	1.0
85.01114	3.9
85.02898	0.6
86.00639	1.3
86.09689	2.1
86.99020	0.8
87.02679	2.1
93.05791	5.7
94.06563	15.8
97.01104	1.9
99.02646	0.6
99.05559	1.6
100.03984	0.6
102.05539	1.5
106.06543	4.4
107.07332	2.0
111.02644	0.8
113.04227	10.3
113.04971	1.0
114.03725	1.3
115.02148	45.0
116.01668	3.1
117.03322	0.5
118.05013	1.3
119.01878	0.6
123.02641	2.0
123.68395	0.5
129.06581	3.0
130.04962	4.3
132.10292	0.5
140.05286	35.8
141.03705	2.6
141.05562	0.7
142.03207	0.7
144.01141	0.8
145.06065	0.8
146.04510	3.3
157.06038	0.6
158.06345	11.5
162.02211	1.4
163.03889	1.8
163.07144	2.2
168.04788	0.7
172.04271	3.2
175.04710	0.6
175.07127	2.4
186.05821	0.6
197.07405	5.2
215.13843	0.7
243.07980	100.0
244.06354	2.1
244.08589	3.0
261.09039	0.7
271.03235	0.6
297.09085	3.1
315.10107	9.1
325.98788	0.6
327.10092	0.7
328.89526	0.6
373.10147	0.6
390.12244	3.1
391.09872	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40242	0.3
55.05505	0.7
56.05013	0.6
56.96554	1.0
60.04514	0.7
67.05492	0.7
69.03421	1.0
69.07059	0.7
70.06592	3.5
71.04968	0.5
71.22942	0.9
72.08155	5.2
81.03413	2.0
82.06585	0.6
83.04958	1.0
84.04507	3.2
84.08132	2.0
85.02890	1.6
86.09698	7.1
88.03983	0.9
89.03919	0.7
91.05489	0.7
93.07020	0.4
95.04950	0.9
96.04486	0.5
97.02923	0.5
97.73970	0.4
98.97595	0.9
99.05589	0.5
102.05533	1.3
103.94592	0.4
105.07074	0.5
107.04957	0.8
109.02858	0.5
110.07144	0.4
111.04439	0.4
115.02143	0.7
116.81600	0.4
119.04926	0.5
121.02914	0.5
121.06477	0.4
121.86094	0.4
123.04429	4.2
124.07596	0.9
129.06569	0.6
129.10252	1.6
130.04962	1.4
132.10187	1.0
133.02812	0.5
134.99669	0.5
135.04431	1.3
136.07573	0.7
140.05293	0.6
143.11809	1.2
145.02789	0.6
146.04475	1.1
147.04308	1.9
151.03882	0.5
157.06061	0.7
157.13478	0.5
159.07607	0.4
163.03911	6.3
165.05452	0.8
165.17386	0.4
169.01459	0.4
171.11331	0.5
173.09239	0.5
175.03941	0.7
175.07213	1.4
176.07054	0.5
177.00673	0.4
185.01183	0.4
185.12875	0.7
190.05026	0.4
195.20110	0.4
203.05370	0.5
207.06612	0.5
219.01767	0.5
219.06557	0.4
219.13455	0.9
237.02850	0.7
237.07584	0.5
243.07953	1.8
245.06894	0.4
301.12497	0.6
315.08640	1.4
345.15100	1.0
371.16696	0.7
389.17822	100.0
390.18185	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	389.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	0.7
69.79837	4.0
81.03404	0.7
81.07048	1.3
91.03956	0.6
95.08596	1.3
106.83841	0.5
121.07621	1.4
180.14960	0.6
222.63284	0.7
266.77310	0.6
268.32318	0.7
351.19647	0.7
389.22949	100.0
390.23395	2.4
390.35626	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	2.2
55.22775	1.0
56.05002	0.9
56.96554	4.3
57.95808	0.8
59.18476	0.8
60.04511	1.5
67.05484	3.1
69.03400	2.4
69.07024	1.4
70.06590	4.9
71.58752	1.2
72.08153	9.0
79.05450	2.1
81.03403	2.2
81.07020	3.2
82.06577	1.3
83.04951	1.3
84.04473	3.9
84.08105	3.8
85.02856	3.7
85.06495	1.1
86.09702	9.5
91.05470	2.1
93.07011	2.7
93.22227	0.9
94.06557	1.5
95.04949	0.9
95.08575	1.1
96.08076	3.3
97.02871	1.4
98.97543	3.4
101.07078	1.1
102.05466	1.0
103.05401	1.0
105.06966	2.3
107.04902	1.4
107.08528	3.0
110.07153	1.2
116.07072	1.3
116.98579	4.5
119.08520	1.2
120.08081	0.9
121.10099	2.3
122.06014	5.3
123.04392	2.1
123.06329	3.4
124.06712	1.2
124.07585	16.9
127.03805	1.2
129.06523	1.0
129.10187	1.8
133.10103	2.5
134.99637	1.1
136.07529	1.1
137.76195	1.0
141.08810	2.2
145.01732	1.2
146.04379	1.4
158.99541	1.0
160.20245	1.1
163.02696	2.2
167.06969	2.6
169.01334	1.2
173.13033	2.8
175.66936	1.0
176.40797	1.0
177.00636	1.5
186.07256	1.1
186.92212	0.9
189.12288	1.1
195.07684	1.2
201.12277	1.6
215.07339	0.9
227.05368	4.8
227.09418	2.1
237.02806	1.2
245.10466	2.1
269.10660	7.8
271.04178	1.6
287.11441	2.9
288.11047	1.2
303.14145	6.8
323.40396	1.0
327.13885	1.7
345.15161	35.0
346.15271	1.6
357.95282	1.0
389.13980	100.0
390.14392	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	389.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05483	1.1
69.03407	1.3
69.81926	3.6
70.06578	0.7
71.60492	0.5
79.05489	0.7
81.03400	0.9
81.07055	1.2
83.06089	1.0
84.04471	1.3
84.08146	1.0
85.02909	1.3
85.06575	0.5
86.09698	4.0
91.05466	1.1
93.07047	0.9
95.04981	0.9
97.06505	0.7
98.20745	1.1
99.04446	0.9
105.06989	0.6
107.04990	0.7
107.08525	0.6
109.06489	0.9
116.05039	0.8
130.04996	1.3
135.08099	0.7
137.05905	1.4
139.11150	0.6
141.08881	1.4
142.19751	0.5
144.04459	1.8
151.03847	1.6
151.11290	0.5
161.37930	0.6
162.05367	0.7
167.07060	0.9
172.03944	5.8
188.03484	1.2
194.05716	0.8
204.06587	8.0
205.06816	0.7
209.15448	1.1
227.05205	1.4
227.08437	0.8
227.16365	0.7
234.72244	0.6
271.04382	0.8
285.12851	0.7
303.14117	6.6
321.13693	0.9
327.14017	1.2
345.15186	43.7
346.15649	1.8
357.10587	1.4
357.14468	1.4
389.14139	100.0
390.14557	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	388.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
55.01863	3.0
55.05515	0.9
56.05024	1.4
56.96557	1.3
57.03429	7.2
58.68161	0.8
59.05011	1.4
61.02905	2.7
61.74951	1.0
64.25710	1.3
66.98499	0.9
67.05515	1.2
69.03425	50.7
69.43550	9.5
70.06583	2.2
71.01353	2.9
71.04994	8.1
73.02915	1.9
79.05483	1.5
81.03413	28.6
81.07033	1.6
83.01331	2.6
83.04981	2.0
84.04507	1.2
84.08130	1.9
84.25990	0.9
85.02898	54.0
86.03231	1.0
86.09704	2.5
87.00826	30.0
87.04459	4.4
87.58430	1.0
91.05460	1.7
93.07008	1.6
95.04977	1.3
97.02885	70.5
97.06532	1.1
98.21539	2.3
99.04452	26.6
101.02374	1.9
103.05486	1.4
105.01860	23.9
105.02560	1.3
105.07021	10.8
107.04993	1.0
109.02866	9.9
111.04422	1.2
111.18687	1.0
115.03926	2.9
127.03912	100.0
128.04245	1.3
135.69824	0.9
137.05983	6.2
138.06297	1.2
145.04948	73.1
167.07027	2.5
167.77431	0.9
168.07198	1.0
171.02905	3.5
172.03972	5.1
177.05511	2.8
179.06941	1.2
181.04968	1.4
204.06511	5.7
205.00334	1.0
213.03952	3.8
231.04987	61.9
232.05249	1.0
247.63863	1.1
249.06078	20.4
334.37585	1.2
357.14420	2.6
358.13425	1.4
378.42868	1.0
385.15833	1.2
388.14270	3.1
389.09866	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57370	0.4
51.02385	0.7
53.03942	2.0
55.01877	1.0
55.05504	0.6
56.05025	0.5
56.96581	0.8
57.03432	0.9
57.07080	0.6
64.48730	0.5
65.03929	0.8
67.05515	4.3
69.03430	8.1
69.07049	0.8
70.06587	2.2
70.40114	0.4
71.05011	0.7
71.22214	1.2
72.08150	1.9
73.02915	0.8
78.03453	8.1
80.05019	2.9
81.03418	16.0
82.03767	0.5
82.06581	2.6
83.04984	2.2
84.04510	1.6
84.08152	2.0
85.02907	9.5
85.06544	3.3
86.03288	0.4
86.09704	2.1
88.04022	0.6
89.03921	0.5
91.05459	0.5
93.03426	1.0
94.06559	1.6
95.04984	2.5
96.04491	5.2
97.02899	3.8
99.04436	2.3
103.07582	2.5
106.02921	45.1
107.03284	0.7
107.04969	1.3
109.02885	8.4
111.04438	2.4
116.07081	0.6
117.03398	0.6
121.08580	0.7
122.06020	6.8
123.04433	3.6
123.06413	0.6
124.03957	100.0
125.04302	1.2
127.03909	5.5
129.05531	1.2
129.10269	1.1
133.02831	1.0
134.03604	0.5
135.04431	2.7
137.02325	1.4
139.03909	1.9
140.07063	0.5
145.02795	0.6
145.04987	0.6
147.04459	0.7
147.07727	0.4
150.05542	0.6
150.26021	0.5
151.03929	1.9
157.04968	0.9
161.02380	0.8
162.05641	0.5
163.03918	10.3
164.04247	0.6
166.04936	1.1
174.23967	0.5
178.05038	1.3
179.03406	1.9
182.08113	0.9
196.05986	0.5
208.06021	0.5
220.13565	0.4
232.06053	3.5
242.04858	0.6
250.04521	0.3
250.07115	10.9
268.08167	66.0
269.08411	1.2
295.33136	0.5
344.14041	2.1
353.08511	0.5
370.15494	0.6
388.12753	4.2
388.16342	3.3
389.13687	1.0
389.17847	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	388.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.3
53.03941	1.3
53.55244	0.2
55.01861	1.2
57.03424	0.7
61.02913	0.6
65.03938	0.3
68.99780	0.3
69.03425	3.9
69.07043	0.2
69.79182	1.5
71.01373	0.3
71.04974	0.5
73.02900	1.0
77.17432	0.2
79.05485	3.7
81.02971	0.3
81.03410	3.5
83.04984	0.3
85.02898	11.0
86.09711	0.2
87.00821	4.4
87.04475	0.4
91.05420	0.3
95.04945	1.0
97.02884	4.2
98.06055	0.4
99.04443	1.9
103.03924	0.5
103.05459	2.0
105.01862	5.4
105.07021	100.0
106.07365	2.3
108.04462	0.7
109.02863	3.9
115.03908	0.6
117.01833	0.4
119.08576	3.0
122.09698	0.3
125.02341	0.4
126.05511	0.5
126.74094	0.2
127.03909	8.1
129.01831	0.9
131.08571	0.7
137.05957	0.4
143.03366	0.9
143.08519	1.3
145.04959	3.7
145.06250	0.3
145.06552	0.3
145.10129	0.3
146.04459	0.3
147.02841	0.6
147.08054	2.3
157.10114	0.4
159.02901	2.5
159.08095	1.6
169.07651	0.5
171.02936	0.3
171.08023	1.5
185.09583	1.1
189.03903	1.8
189.09129	0.8
195.07997	1.2
213.03957	0.5
213.09093	2.5
231.04918	1.8
231.10129	1.4
248.07593	0.7
249.06146	0.4
295.07169	0.3
317.10187	0.3
326.73712	0.3
328.09311	0.6
335.11484	0.3
370.10245	0.4
388.11026	0.3
388.15405	0.4
407.59515	0.3
413.94574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.9
55.01870	7.6
57.03227	0.5
57.03436	5.2
58.25632	0.6
60.04531	0.6
61.02917	6.9
68.99778	2.7
69.03425	36.0
70.06586	0.6
70.84916	1.4
71.04996	5.4
73.02918	6.9
79.05494	0.8
81.03412	24.7
85.02898	100.0
86.03221	1.2
87.00822	39.8
87.04438	0.7
91.03951	1.4
97.02885	30.1
98.03240	0.7
99.04449	12.1
101.02381	1.5
103.03896	1.2
103.05495	1.4
105.01858	63.6
105.07024	11.4
108.04488	3.4
109.02872	26.8
115.03925	0.8
117.01822	3.0
126.05520	1.8
127.03909	66.3
128.04199	1.3
129.01816	3.0
137.05930	0.8
138.06343	0.9
143.08585	1.0
145.04950	32.6
147.02896	2.3
159.02885	15.2
171.02911	0.9
177.04015	1.1
178.26424	0.6
189.03906	3.1
192.49094	0.6
213.03903	3.0
213.09203	1.3
230.06628	0.8
231.04974	23.9
231.10117	1.0
232.05402	1.2
248.07657	1.5
249.06050	7.7
253.10442	0.6
367.17288	0.7
388.16010	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2711
Annotation	Arg Ile Val
Peak:m/z	Relative Intensity
54.77818	0.3
56.96547	0.7
57.07050	0.5
58.67260	0.3
67.05503	0.4
70.73326	0.9
70.73697	0.7
70.74116	0.4
93.06949	0.4
123.11806	0.4
190.95297	0.9
275.64517	0.4
294.68219	0.3
316.43976	0.4
320.82098	0.4
365.82571	0.4
387.27145	100.0
388.27454	3.4
414.03018	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.2
55.01854	5.3
55.05480	2.5
56.05022	2.7
56.96544	6.8
57.03424	6.6
60.04539	2.1
61.02904	5.2
63.77034	1.7
65.03932	4.7
67.05497	52.2
68.05024	1.8
68.99779	3.9
69.03422	27.1
69.07063	21.6
69.64923	5.6
69.65352	5.7
70.06594	10.1
71.04980	7.0
71.60280	1.5
72.08154	10.2
73.02905	4.2
79.05485	5.2
80.05045	1.9
81.03414	26.7
81.07052	13.6
81.76305	1.8
82.06602	1.8
82.23585	2.1
84.04507	8.7
84.08120	8.5
84.48972	1.5
84.50195	1.7
84.96054	2.2
85.02899	65.3
86.06043	3.1
86.09686	9.4
87.00831	13.4
87.04462	3.1
89.03914	18.8
91.05470	5.3
93.07043	2.0
94.06554	5.1
95.04353	3.7
95.04960	69.6
96.08131	2.1
97.02894	17.0
98.06061	1.7
98.97569	18.4
99.04443	9.2
103.03939	5.4
105.01881	8.8
105.06994	1.6
107.04942	6.6
107.25926	1.6
107.88759	1.6
109.02868	29.0
110.07140	2.9
110.97555	3.2
111.04414	1.9
112.07595	13.6
114.05509	2.9
116.01698	2.5
116.98618	11.0
117.03368	16.7
119.04932	2.0
120.08073	8.4
121.06495	2.9
122.06023	8.2
123.04433	4.3
124.07589	14.5
125.02393	1.7
127.03906	39.6
128.98587	4.8
129.01836	3.1
129.10233	5.6
130.04967	3.4
134.99666	5.8
135.04410	29.1
139.03899	2.4
140.07051	32.8
142.03215	1.7
142.04985	6.0
143.00189	2.3
143.03349	3.9
145.02821	16.9
145.04941	5.8
146.03128	1.8
146.99609	4.5
147.04398	4.3
150.09116	2.3
152.07043	5.1
154.08626	7.4
158.99692	3.8
159.02905	2.6
161.01216	4.6
163.03894	100.0
164.04254	8.6
164.07054	1.7
164.10745	1.7
168.06439	2.0
169.01311	55.2
170.08066	9.5
170.99655	4.1
171.02919	4.5
173.12898	1.9
177.00702	4.7
178.05136	2.3
178.08604	5.6
179.03412	3.9
180.06535	2.4
182.08118	57.2
189.00746	3.2
189.03896	8.5
192.10175	3.8
201.12341	1.9
203.58795	1.7
206.08089	18.3
209.04428	3.8
210.11237	8.9
219.01743	4.6
226.10796	5.1
227.05466	22.0
231.05069	3.9
237.02780	17.1
248.09161	33.7
275.07993	3.0
285.44092	1.7
293.09058	31.9
294.09448	4.2
311.10153	4.4
344.13889	4.1
347.10226	3.4
360.12219	3.9
361.11646	4.1
388.12631	6.4
388.16522	5.6
389.13815	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	387.2013
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
50.27442	0.6
53.03942	2.0
55.01871	2.0
55.05502	3.1
55.99447	0.5
56.96565	0.9
57.03431	2.1
57.07070	1.6
59.05000	0.6
59.20042	0.6
60.88491	0.6
61.02936	3.0
67.05507	4.5
68.99778	0.8
69.03424	21.5
69.07057	2.4
69.52280	4.9
70.06587	5.2
71.01357	1.1
71.04987	3.9
72.08150	7.3
73.02917	2.7
76.60604	0.6
79.05487	2.6
81.03416	7.7
81.07052	14.4
83.01369	0.7
83.04982	2.3
84.04475	1.0
84.08136	5.6
85.02899	100.0
85.06502	1.0
86.03234	1.2
86.09698	8.3
87.04471	1.1
87.05582	0.6
88.03988	1.6
91.05473	5.1
93.07033	3.0
95.04960	2.5
95.08595	6.9
97.02889	6.6
97.06556	0.7
98.97566	0.8
99.04453	3.9
103.03949	1.0
103.05463	1.4
105.07022	6.4
107.04956	2.3
107.08583	4.5
109.02853	3.2
109.06500	2.3
109.10148	15.3
110.07188	1.2
111.04420	2.4
115.03870	0.7
116.06288	0.7
116.07080	0.7
116.98641	1.0
117.07018	2.1
119.04965	0.9
119.08569	7.7
120.08118	1.1
121.06520	1.9
121.10139	4.7
122.03638	0.9
123.04422	1.6
123.08065	2.6
123.11700	58.8
124.12044	1.5
125.05982	53.9
126.06264	0.8
127.03912	9.0
129.06956	1.0
129.10220	3.9
130.06548	0.7
130.07761	0.7
131.04959	1.1
131.08554	2.3
131.54593	0.7
133.06483	1.4
133.10143	1.6
134.99599	0.7
135.08051	1.5
135.11729	1.7
137.05957	8.1
137.09631	0.7
138.09007	0.6
139.07533	9.7
143.08618	1.2
143.11804	0.9
145.04951	2.2
145.06450	1.1
145.10104	4.0
146.04485	0.7
147.08018	3.2
147.11690	8.1
149.09610	5.6
151.03905	1.8
151.07533	7.3
153.01848	0.9
153.05489	0.9
156.09372	1.1
159.07944	0.6
161.05978	1.1
161.09590	1.4
161.13269	1.9
163.07593	0.7
163.11156	1.6
165.12714	1.4
167.07033	5.0
167.10661	1.1
169.08615	1.2
171.11636	1.7
174.10405	0.8
175.07295	0.6
177.05505	1.0
179.07076	3.1
179.14275	0.5
180.07803	1.0
181.04967	3.1
181.08528	0.7
187.07544	1.4
189.12718	9.9
191.07033	1.8
207.06335	0.9
207.13788	48.0
208.14224	0.9
225.03976	2.1
225.14839	78.0
226.15273	1.5
235.07556	0.9
237.02744	0.7
249.09010	0.7
251.09262	1.2
258.13022	0.7
263.06726	0.8
264.07886	1.0
265.08713	0.7
269.10529	0.8
295.09616	1.0
307.09738	0.8
321.08054	0.6
325.10593	0.7
333.16882	7.1
351.17963	12.6
357.13425	0.8
369.13550	1.7
369.19052	5.3
387.14545	4.8
387.20074	51.5
388.15192	0.9
388.20566	1.5
398.70700	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28499	0.6
55.01861	0.7
55.05515	1.2
56.96563	27.0
62.39469	0.5
67.05492	1.6
69.03406	1.1
69.07046	1.7
70.99463	1.3
71.04980	0.7
71.95253	3.0
72.96027	1.8
79.05488	1.1
80.92799	0.5
81.03389	1.6
81.07032	2.0
83.08605	1.4
84.08118	1.0
84.96017	0.8
85.02879	0.6
91.05459	2.5
93.07050	0.7
94.04162	1.3
95.04961	0.9
95.08584	1.6
97.06521	2.3
98.97585	1.2
105.00056	0.6
105.06991	1.3
107.04944	1.5
107.08571	1.4
109.02956	0.5
109.06521	0.5
109.10155	0.8
110.97592	0.6
115.05390	0.6
116.98612	0.8
117.06998	0.9
117.55071	0.5
119.08576	1.0
121.06503	0.6
122.03622	2.4
123.01234	0.7
123.04414	1.5
125.09679	1.0
128.98587	1.3
131.04880	0.9
135.11664	0.5
137.05969	37.5
138.06284	0.8
139.03885	2.7
141.02153	0.8
143.04915	1.3
145.06480	1.2
146.16443	0.6
146.99602	1.5
147.04378	0.7
149.05922	1.2
151.03929	1.8
155.03802	1.3
159.11697	0.5
161.05989	1.2
165.05484	0.7
167.03833	0.6
167.07050	7.4
173.04723	0.8
173.06001	1.0
181.04944	6.3
182.38554	0.5
183.06961	0.6
191.07040	1.1
195.06796	0.8
197.08490	1.3
203.07033	0.7
205.08676	0.8
219.10153	1.0
222.82898	0.5
223.09895	3.1
225.11473	0.7
231.75041	0.6
233.08109	0.7
235.09926	3.2
241.11098	27.8
242.11559	0.9
253.11096	49.4
254.11322	0.8
259.12170	50.2
260.12494	1.6
264.12680	1.3
271.12146	100.0
272.12518	3.1
273.12366	0.7
276.12704	1.7
277.08707	0.8
282.13815	2.1
289.13235	7.2
294.13733	9.3
297.13681	1.0
307.09662	1.0
327.14764	18.2
328.15265	0.7
357.13327	4.1
369.13321	1.7
387.14252	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	387.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.2
51.19035	0.1
53.03953	0.7
56.96564	0.2
65.03922	0.3
69.03440	0.2
69.07066	0.1
71.59051	0.2
77.03912	0.2
79.05492	4.4
81.03428	0.5
85.02952	0.1
91.05471	0.4
93.07045	0.3
95.04970	1.3
97.02885	0.1
99.26833	0.1
103.05468	2.8
105.07030	100.0
106.07362	1.6
109.06470	0.1
113.90021	0.1
115.97588	0.1
119.04935	1.7
119.05846	0.1
119.06082	0.1
119.08659	0.1
121.06512	0.1
127.03882	0.1
137.06010	0.4
166.27954	0.1
167.07132	0.2
349.16742	0.2
387.24957	0.2
407.89063	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	387.201
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.86268	7.6
57.03437	11.2
60.67513	7.3
67.05502	14.2
69.03424	35.8
69.61790	62.5
79.05506	8.1
81.03408	16.6
81.07053	22.7
84.08144	8.7
85.02914	81.9
86.09702	12.3
93.07048	16.1
95.08598	45.7
97.02885	17.3
98.20748	15.2
99.04440	14.6
105.07010	23.1
107.08598	20.7
109.02862	11.0
109.06585	12.4
109.10130	17.5
111.72514	7.9
119.08594	25.6
121.10121	15.3
121.18620	7.6
123.08057	30.6
123.11694	52.0
125.05958	15.4
127.03915	20.8
133.10141	9.0
135.11736	10.3
139.07520	8.7
145.04988	15.8
145.10106	16.9
147.11664	11.7
149.09608	31.6
151.07558	48.1
163.11192	66.1
165.12630	8.2
167.07057	12.6
181.12268	17.6
189.12770	26.2
193.04939	8.1
202.73973	7.5
207.13800	100.0
216.12245	8.0
225.14839	24.4
261.39383	8.1
267.74701	8.4
333.16904	10.6
351.18173	15.6
387.16013	15.2
387.20178	19.5
398.76614	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	387.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05419	0.4
53.03939	0.6
55.01859	0.8
55.05486	1.0
56.96561	30.4
57.03452	0.5
57.07056	0.6
65.03920	0.8
67.05483	1.9
69.03416	0.9
69.07051	0.8
70.06618	0.5
71.04988	0.6
71.08591	0.6
71.10426	0.5
71.59236	0.7
71.95254	3.2
72.96037	2.4
73.02873	0.5
74.97594	0.7
79.05481	2.3
81.03399	1.1
81.07048	3.6
83.04973	0.5
84.05322	0.5
84.08078	0.6
85.02872	1.9
86.06046	0.6
86.09679	0.5
87.88040	0.5
91.05460	2.2
93.07009	2.0
94.04190	0.9
95.04955	1.8
95.08593	2.4
97.02866	0.6
97.06523	2.4
98.97556	1.2
101.11356	0.5
103.05441	1.6
105.07012	1.6
107.04903	1.3
107.08572	1.8
109.02856	0.9
109.10120	1.4
110.97565	0.6
111.04411	0.5
115.05444	1.1
115.97727	0.6
116.98618	1.2
117.06989	1.3
119.08554	2.0
121.06475	0.8
121.10117	1.0
122.03620	2.2
123.04397	1.7
123.11641	1.0
124.05132	0.6
124.85423	0.4
127.03932	1.1
127.12352	0.6
128.98575	1.1
131.04898	1.1
133.06424	0.5
133.10094	0.7
134.99626	0.5
135.11694	0.5
137.02727	0.6
137.05965	27.6
138.06311	0.8
139.03917	2.5
139.11186	0.7
141.02255	0.8
143.04933	1.1
143.08458	0.5
145.06473	1.4
145.10132	1.1
146.99651	1.2
147.11693	1.0
149.01230	0.6
149.05940	0.9
149.13150	0.5
151.03934	2.4
151.11200	0.8
155.03702	1.2
158.99687	0.6
161.06001	1.0
163.07562	1.1
163.11108	0.6
165.08975	0.6
167.07037	6.2
169.05391	0.9
171.29231	0.5
172.05078	0.5
173.06044	1.1
175.07555	0.7
175.11247	0.5
177.00639	0.6
177.05441	1.0
179.07233	0.5
181.04968	6.0
191.07019	1.4
195.06783	0.8
203.07156	0.5
205.08771	0.7
205.12050	0.6
223.09964	2.5
233.08075	1.1
235.07664	0.9
235.09875	4.1
241.11084	26.8
242.11429	1.3
253.11084	51.1
254.11433	1.3
254.13696	0.7
259.12155	49.9
260.12546	1.5
264.07733	0.6
264.12659	2.2
271.12140	100.0
272.12381	3.8
276.12598	2.3
277.08643	1.0
277.13080	0.7
282.13654	2.5
289.13150	6.8
294.13715	10.8
297.13925	1.1
307.09540	0.9
309.10818	0.6
322.04654	0.6
327.14767	18.5
328.15051	1.1
337.10635	1.1
357.13373	3.0
387.14264	9.6
388.14413	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1438
Annotation	(-)-5'-Demethylyatein
Peak:m/z	Relative Intensity
53.03923	1.4
55.01861	2.7
55.05505	1.3
56.47187	1.1
56.96553	1.2
65.03942	2.6
66.85959	1.2
67.05478	2.6
68.99787	1.6
69.03417	1.4
69.07053	2.2
69.28635	1.4
69.29044	10.9
76.33637	1.0
78.04702	4.7
79.05496	10.5
81.03436	1.7
81.07045	5.1
89.03933	2.7
91.05482	16.3
93.07033	3.0
94.04177	3.0
95.04979	6.7
95.08627	2.0
102.04696	1.2
103.05474	22.8
104.06256	2.2
105.03419	9.2
105.07031	23.0
106.04175	41.5
107.04964	15.5
109.06504	2.6
115.05453	9.6
116.98540	1.5
117.03357	4.6
117.07006	3.5
117.61761	1.2
118.04142	9.9
119.04966	5.3
119.08571	1.9
121.06501	18.9
122.03629	4.3
122.08023	1.3
123.04408	3.4
125.05997	1.5
128.06245	1.5
129.06985	2.8
130.04155	1.7
131.04004	2.1
131.04926	24.8
132.05702	9.6
133.02803	1.8
133.06499	43.1
134.03615	2.8
135.04384	5.1
137.05978	51.5
137.60048	1.0
138.86301	1.1
140.44197	1.1
143.04929	2.6
145.06490	4.6
146.03580	1.3
147.04388	5.1
147.08064	1.3
148.05180	3.1
149.05980	74.0
151.03886	4.1
151.07518	3.2
153.05420	1.5
159.08060	3.3
160.05222	7.1
161.05991	36.2
162.06783	2.9
163.03891	10.5
163.07527	8.0
165.05545	5.9
165.06720	1.1
167.07045	23.1
172.05196	1.7
173.05966	2.8
175.07524	2.5
176.04582	1.4
177.05476	100.0
178.05969	1.3
179.07042	15.6
180.04199	1.5
180.07816	5.3
181.04929	8.2
187.07527	3.4
189.05469	2.8
189.07140	1.3
191.07042	19.7
192.07820	22.4
193.05006	9.1
193.08609	3.3
195.06528	3.3
197.08133	1.6
203.07079	2.4
205.08437	1.7
206.07364	1.6
207.06508	18.2
215.07019	9.2
219.06442	1.2
225.07600	4.2
233.08041	3.4
247.07484	1.3
249.09126	2.4
251.07176	1.6
277.08578	1.5
305.08002	1.9
309.11020	1.3
337.10675	11.2
357.13315	7.3
369.13376	7.1
387.14426	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	387.1438
Annotation	(-)-5-Methoxybalanophonin
Peak:m/z	Relative Intensity
53.03939	4.9
55.01866	17.1
55.05495	4.6
56.96563	3.8
57.03422	2.5
65.03925	3.9
66.15430	2.4
67.05498	7.8
69.03439	4.3
69.07031	2.4
70.06615	2.4
70.69428	5.6
70.69799	5.5
71.04978	2.4
78.04722	4.4
79.05486	17.2
81.03401	8.4
81.07052	10.6
84.04516	2.8
84.08128	2.6
85.02898	11.1
86.09717	8.3
91.05494	13.3
92.23658	2.4
93.07021	6.5
95.04967	17.3
95.08611	4.5
97.02898	7.7
97.06554	3.5
99.04456	4.4
103.05474	15.7
105.03376	2.9
105.07022	28.5
107.04948	33.2
107.08632	4.2
109.02867	3.1
109.06510	5.4
109.10181	2.6
111.04387	3.2
115.05438	9.4
117.07018	6.2
118.04160	3.2
119.04904	3.9
119.08593	11.1
121.06505	4.8
121.10104	3.3
122.03665	8.0
123.04431	15.4
123.08093	4.0
124.05204	5.8
125.06025	4.8
127.03888	6.7
128.06161	3.7
131.04904	25.9
131.08565	5.7
132.05721	9.5
133.06483	7.8
133.10088	3.9
134.03600	2.6
135.04388	6.4
135.08144	3.6
137.05972	69.3
139.03862	3.6
139.07536	10.6
143.04900	8.0
144.05673	6.4
145.02875	5.3
145.06485	10.4
145.10144	2.6
146.04539	6.2
147.04410	8.0
147.08015	4.7
147.11696	3.5
149.05988	9.4
151.03899	10.0
151.07570	4.8
152.04677	9.3
153.05490	5.4
155.04951	8.0
157.06480	3.2
159.08083	4.0
160.05217	4.6
160.07469	2.7
160.11096	3.0
161.06029	7.7
163.03918	3.5
163.07480	4.6
165.05534	3.6
165.07004	6.5
167.07045	84.8
167.08350	3.0
171.11543	3.1
172.05266	2.8
173.05988	10.1
175.03894	5.1
175.07535	13.3
176.04678	3.8
177.05458	19.9
177.06805	3.2
178.07826	10.3
179.08641	4.6
180.04298	4.2
181.05014	19.8
181.06404	4.4
183.04369	3.4
183.06616	3.3
185.05968	4.9
187.07544	8.6
189.07037	9.0
190.07726	5.2
191.02350	2.6
191.07014	31.4
191.08528	8.2
192.07800	8.0
193.06569	2.6
193.08517	3.7
194.07310	3.1
195.06534	21.1
195.08043	4.6
201.05472	3.4
202.07797	9.1
203.06999	10.3
203.08626	10.2
205.06569	12.8
205.08253	3.3
206.07188	13.6
207.06505	7.9
207.08099	6.8
207.13846	6.5
211.07478	2.9
215.06979	17.8
217.06554	3.6
218.07295	8.8
219.08093	19.5
220.08797	6.9
221.06035	6.9
221.09651	7.7
222.06500	2.8
223.07562	4.9
224.08331	3.2
231.08090	22.9
233.05974	6.0
233.07990	4.3
234.06718	22.9
235.07544	12.5
236.08374	4.6
237.08995	6.0
241.08688	3.4
244.05199	4.5
245.05986	8.5
246.06801	6.1
247.07532	18.4
248.08345	13.0
249.05632	4.7
249.09045	22.4
250.06242	5.3
251.07155	12.8
258.06888	4.3
259.07599	15.1
260.08353	3.8
261.05511	8.3
261.09039	4.6
262.06189	13.1
263.07016	11.3
264.07800	9.1
265.08615	8.0
266.09329	3.0
267.10147	3.7
272.04819	2.8
273.05490	4.1
275.07019	13.5
276.07706	19.0
277.08530	21.3
278.06116	3.9
278.09332	5.9
279.06439	8.3
279.10168	21.5
280.07224	2.9
281.08026	3.8
281.11728	3.3
287.07025	16.9
288.07724	6.2
289.08630	7.9
290.09323	8.5
291.06964	3.4
291.10092	23.9
292.07275	5.2
293.08176	12.9
294.08673	7.1
295.09619	7.5
304.07327	9.4
305.08057	59.4
306.08832	10.0
307.06149	5.0
307.09592	26.5
308.10358	3.1
309.07730	3.4
309.11270	12.6
309.14264	2.7
311.09036	3.1
314.11276	3.0
319.09659	52.3
320.10205	5.5
321.07599	8.1
322.08398	7.3
323.09009	4.7
324.09924	4.7
325.10519	6.5
336.09851	7.0
337.06662	5.5
337.10675	100.0
338.11182	4.4
339.12161	29.5
341.14157	3.2
351.12231	35.2
354.10992	3.2
357.13263	19.3
369.13364	30.8
387.14545	41.9
387.19281	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1436
Annotation	Magnolone
Peak:m/z	Relative Intensity
51.02383	0.5
53.03926	0.4
55.01867	1.7
57.03434	0.5
65.03928	1.7
67.05512	1.9
69.03407	1.0
69.07054	0.7
70.06581	0.5
71.11192	0.7
71.11528	0.7
78.04709	0.6
79.05495	2.0
81.03397	0.9
81.07072	1.8
82.04189	0.7
83.04966	0.4
83.08606	0.5
84.08159	0.8
85.02895	2.2
85.72559	0.3
86.09695	0.6
87.04505	0.3
91.05489	2.2
93.07026	0.7
94.04185	3.6
95.04961	1.7
95.08596	0.8
97.02898	0.8
97.06532	2.2
98.97547	0.8
103.03971	0.3
103.05466	4.0
105.03370	0.4
105.07016	1.4
106.04160	0.6
107.04967	1.9
107.08601	0.5
109.02913	0.5
109.06534	0.9
109.10155	0.6
110.03670	0.9
111.04438	1.0
115.05445	2.7
117.07019	2.6
118.04156	1.0
119.04942	0.4
119.08588	0.9
121.06535	0.4
121.10091	0.5
122.03647	7.3
123.04417	1.6
124.05183	0.9
125.05991	0.8
127.03931	0.8
131.04929	3.4
133.06480	1.1
135.04456	0.5
135.08134	0.4
137.05974	100.0
138.06313	1.0
141.05447	0.6
142.02640	0.6
143.04930	3.0
144.05737	0.5
145.02817	0.4
145.06468	2.9
145.10110	0.5
147.04390	0.4
147.08052	0.7
148.05170	2.1
149.05988	0.6
151.03900	10.5
151.05069	0.8
152.04735	0.4
153.05452	1.0
154.08678	0.4
155.06007	1.0
160.08757	0.4
161.05971	1.3
163.03836	0.5
163.07526	4.0
165.05478	0.7
167.07039	18.2
171.04411	0.4
171.06499	1.9
173.05988	3.8
175.03972	0.5
175.07553	1.4
176.04744	0.7
177.05447	0.6
177.40112	0.5
178.06287	0.4
181.04958	29.1
182.05371	0.7
187.07597	1.1
189.05511	0.4
189.09250	0.4
191.07033	10.7
191.08752	0.5
193.04892	0.4
193.08607	0.5
194.07120	0.4
203.07024	2.1
205.08577	2.9
207.06384	0.7
209.06055	0.5
215.06998	0.5
219.08107	0.5
221.08081	0.4
223.07574	0.4
233.08043	2.5
234.06761	0.5
235.09737	2.4
239.06842	0.4
247.07732	0.4
249.09062	0.8
254.79671	0.3
263.11307	0.4
264.07953	0.4
265.08749	0.5
277.08551	0.8
279.10120	0.6
295.09653	0.5
305.08353	0.6
307.09848	0.5
309.11273	1.1
327.12262	1.1
337.10574	1.1
339.12338	0.4
341.13910	0.6
351.12247	1.4
355.11731	1.6
357.13330	12.3
359.14743	0.5
361.62674	0.4
369.13449	1.6
387.14423	29.0
387.19977	1.7
387.32770	0.5
388.14902	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1436
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
53.03942	2.8
53.08341	0.9
55.01872	8.4
55.05508	1.5
56.96558	1.4
57.03460	1.1
65.03925	2.7
67.05499	4.2
69.03413	1.6
69.07055	2.1
70.06560	1.0
71.04981	1.0
71.59762	1.5
74.00275	0.9
78.04702	2.9
79.05495	12.0
81.03410	2.8
81.07048	7.7
83.08578	1.1
83.22426	1.0
85.02901	2.2
86.09717	1.2
89.03894	1.6
91.05481	7.4
93.03386	1.1
93.07035	4.7
94.04185	3.1
95.04958	8.5
95.08607	3.2
97.06532	7.0
98.97578	2.1
103.05482	6.6
105.03425	1.5
105.07043	4.1
106.04184	3.4
107.04946	11.7
107.08585	2.4
109.02868	2.3
109.06496	1.7
109.10168	2.4
111.04434	2.3
115.05430	5.2
116.98608	2.3
117.07006	4.1
118.04160	1.4
119.04975	1.1
119.08577	3.9
121.02879	1.3
121.06530	3.3
121.10148	1.3
122.03638	7.4
123.04425	7.7
124.05211	3.5
125.06001	1.3
128.06221	1.5
129.06970	2.4
130.54901	1.0
131.04912	12.9
131.08546	1.4
132.05710	3.3
133.06500	2.2
134.03600	2.2
134.99678	2.9
135.04407	3.0
135.11739	1.6
137.05971	100.0
139.03926	6.9
143.04889	4.8
143.08475	1.2
144.05702	1.8
145.06488	5.4
146.03610	1.5
147.04445	3.1
147.11705	1.4
148.05141	1.5
149.06033	5.5
151.03906	7.3
152.04659	3.2
153.05424	2.4
155.04910	3.3
159.04417	1.7
160.05194	3.9
161.05968	3.2
163.03908	2.1
163.07515	2.9
165.05647	1.5
165.07059	1.8
167.07033	46.9
167.97009	1.1
171.04369	1.6
171.06650	1.5
172.05202	2.9
173.05928	5.9
175.03973	1.7
175.07527	5.1
176.04697	2.1
176.14349	1.6
177.00725	2.1
177.05508	9.3
177.06938	1.6
178.07738	4.4
179.07083	2.0
181.04956	20.2
183.04356	1.8
185.05966	2.8
187.07544	3.2
189.07019	3.1
190.07771	2.4
191.07031	13.4
191.08557	3.6
192.07817	4.4
193.10149	1.4
194.07300	1.6
195.06523	11.3
195.08044	1.9
199.07574	1.4
202.07774	5.1
203.06914	6.3
203.08574	3.8
205.06523	6.6
205.08594	2.8
206.07278	5.8
207.06453	1.8
207.08083	2.6
207.13614	1.2
215.06979	6.0
217.06488	1.9
218.07170	5.3
219.08052	8.2
219.10161	2.9
220.08826	3.6
221.06100	2.5
221.09634	3.7
222.06769	3.0
223.07553	3.5
230.07169	2.0
231.07968	9.2
232.08859	1.2
233.06000	4.2
233.07977	1.5
234.06735	10.5
235.07494	5.7
235.09558	1.9
236.08208	1.3
237.02893	1.5
237.09212	3.1
239.07188	1.1
244.05127	2.1
245.05986	2.8
246.06721	4.1
247.07535	11.1
248.08313	8.7
249.05447	1.8
249.09073	8.8
250.06253	2.7
251.06900	5.5
258.06699	2.2
259.07507	6.5
259.09912	1.2
260.08160	1.8
261.03009	1.3
261.05499	3.8
261.08994	2.4
262.06287	4.1
263.07019	4.0
263.10461	1.3
264.07797	3.9
265.08603	4.6
266.05750	1.2
266.09308	1.6
272.04800	1.4
275.06958	6.7
276.04886	1.7
276.07742	10.7
276.15955	4.2
277.08557	11.7
278.09338	2.2
279.06552	3.8
279.10147	8.7
281.08173	1.8
281.11551	2.0
283.09549	2.4
286.06131	1.4
287.07059	7.6
289.08456	1.9
290.09323	1.3
291.10181	9.9
292.07367	1.3
293.08026	7.2
294.08856	4.1
295.09564	2.1
297.11172	2.6
303.06491	1.4
304.07300	4.5
304.15399	1.5
305.08084	21.4
306.08820	3.5
307.09616	9.5
308.10181	1.8
309.11169	4.5
314.11212	1.5
318.08826	1.9
319.09653	17.7
320.10217	1.9
321.07401	1.5
322.08304	2.2
323.09122	2.8
324.09933	2.4
325.10364	1.9
327.12244	2.3
336.09958	2.7
337.10663	42.5
338.11060	3.2
339.12317	13.3
351.12259	20.9
354.10870	1.6
357.13281	17.1
369.13303	13.4
387.14362	28.9
387.22427	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1439
Annotation	(-)-5-Methoxybalanophonin
Peak:m/z	Relative Intensity
53.03934	4.4
55.01880	17.2
55.05501	3.1
56.96564	3.5
65.03941	4.0
67.05498	7.5
69.03432	4.2
69.07076	3.7
69.11410	2.3
70.06593	2.6
70.81624	2.5
70.81960	6.7
77.44322	2.0
78.04710	4.4
79.05490	20.9
81.03425	2.4
81.07066	12.4
81.07457	2.0
83.04979	2.6
85.02891	5.2
91.05464	13.4
93.07027	10.9
94.04163	6.0
95.04954	15.2
95.08614	9.8
97.06523	10.3
98.97597	4.2
103.05442	14.2
105.07024	15.1
106.04116	2.6
107.04954	30.6
107.08588	6.5
109.02872	2.7
109.06536	4.2
109.10143	5.3
111.04414	3.6
111.08097	2.3
115.05425	13.2
116.06254	2.4
116.98660	3.1
117.03325	2.5
117.07014	7.3
119.04974	3.2
119.08574	5.3
121.06525	5.8
121.10130	4.1
122.03649	9.1
123.04407	14.9
123.11719	2.2
124.05193	7.5
124.84245	2.5
125.06002	5.0
127.03961	2.8
128.06226	3.2
129.06975	3.2
130.04178	4.1
130.05029	2.9
131.04919	24.2
131.08510	2.6
132.05687	8.3
133.06488	5.6
133.10204	4.9
134.03604	5.5
134.99664	2.2
135.04443	3.4
135.11661	3.5
137.05968	100.0
139.03867	3.0
143.04929	6.9
144.05710	6.1
145.06500	8.4
146.03616	2.8
147.04378	6.6
147.08023	3.5
147.11673	2.4
149.05994	8.0
151.03912	6.0
151.07564	3.6
152.04678	7.5
153.05475	5.5
155.04909	7.8
157.06564	2.9
160.05208	6.2
161.06001	7.1
163.03909	4.0
163.07556	6.0
165.05481	3.8
165.06961	3.9
167.07048	80.4
167.08340	2.9
168.56248	2.2
172.05174	5.2
173.05994	8.2
175.03766	2.6
175.07571	9.4
176.04706	4.4
177.00717	3.2
177.05486	14.7
177.06844	3.3
178.07779	8.6
178.09175	2.4
179.07077	4.1
179.08577	3.8
180.04163	4.2
181.04939	21.4
181.06453	5.1
185.05995	6.5
187.07545	7.3
187.55377	2.2
189.07039	9.0
190.07770	8.3
191.07030	33.7
191.08595	7.1
192.07797	6.7
194.07198	4.7
195.06537	29.3
195.08060	6.2
202.07756	15.9
203.07036	14.7
203.08629	8.0
205.06520	16.2
205.08464	4.0
206.07240	12.6
207.08130	5.2
215.06985	17.0
215.08746	2.9
217.06506	7.0
218.07379	11.8
219.08054	22.5
219.09929	3.9
220.08806	8.4
221.06046	5.2
221.09653	7.4
222.06615	4.1
223.07503	4.1
229.06604	4.2
230.07173	4.9
231.08051	17.3
232.08691	5.4
233.06001	10.2
234.06715	17.4
235.07588	11.8
237.08940	5.8
239.06938	3.6
241.08940	2.4
244.05080	3.7
245.06044	7.6
246.06810	7.4
247.07561	19.8
248.08342	19.9
249.05554	5.9
249.09154	16.1
250.06242	8.1
251.06966	11.7
253.08633	3.6
258.06815	6.2
259.07520	18.5
261.05536	7.2
261.09116	6.7
262.06296	15.4
262.09924	2.5
263.07053	15.9
264.07657	11.8
265.08609	10.8
266.05630	3.2
266.09338	5.3
267.06766	2.9
272.04605	2.9
273.05457	5.8
274.06210	3.3
275.07031	11.6
276.07770	23.5
277.08560	29.1
278.05908	3.7
278.09305	8.3
279.06485	8.5
279.10150	21.0
281.08176	3.9
281.11523	2.4
283.09909	2.8
287.06995	19.6
288.07700	3.9
289.08679	6.3
290.06042	3.5
290.09396	7.1
291.06964	4.1
291.10126	28.1
292.07382	9.1
293.08084	15.4
294.08783	6.1
295.09708	7.3
297.11200	3.3
299.09174	3.2
302.80481	2.5
304.07312	11.7
305.08069	62.2
306.08826	8.7
307.06204	5.4
307.09653	21.2
308.10327	8.0
309.07703	5.5
309.11237	13.0
310.08594	3.2
311.09027	2.8
319.09619	42.5
320.10400	5.6
321.07462	3.1
322.08328	7.4
323.09134	4.5
324.09833	5.0
325.10681	6.3
327.12582	4.0
336.09918	8.2
337.10684	94.6
338.11145	6.6
339.12259	31.0
341.13943	3.6
351.12259	40.8
354.11069	2.6
357.13260	24.9
369.13315	27.6
387.14520	34.7
403.93753	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62603	1.4
53.03926	2.4
53.29905	1.2
55.05510	60.3
57.03435	23.5
57.07075	50.1
66.05739	1.2
67.05505	21.2
69.03421	1.4
69.07068	72.6
70.58522	4.9
70.58852	1.4
71.04990	1.9
71.08627	33.0
73.06560	2.4
75.04462	1.5
79.05492	10.8
81.07057	31.9
82.64861	1.4
83.04959	2.7
83.08617	50.4
83.13604	1.8
85.06525	1.6
85.10178	17.4
91.05486	2.8
93.07043	17.4
95.08603	35.2
97.06510	11.2
97.09538	2.1
97.10168	37.4
99.11731	1.9
101.06048	2.1
103.25536	1.4
105.76369	1.6
107.08601	11.8
107.67995	1.4
109.10155	13.6
111.08066	7.6
111.11708	9.0
115.07564	4.6
115.96936	1.4
121.10117	16.0
123.11723	6.7
125.09633	8.1
125.13280	1.6
127.40466	1.3
129.09111	2.6
135.11702	15.0
137.13277	3.6
139.11176	7.6
143.10675	1.9
149.13223	10.4
153.12715	7.6
154.99243	1.4
157.12234	2.0
163.14836	5.4
163.34875	1.6
167.14351	5.7
177.16411	5.2
181.15874	4.8
191.18092	3.3
195.17439	4.9
205.19527	2.5
209.18973	2.6
219.21193	1.4
221.74797	1.5
223.20607	1.5
237.22063	1.7
251.23903	1.4
275.27304	10.0
293.28372	19.0
339.72098	1.4
349.30829	1.7
367.32108	15.8
385.29138	14.1
385.33231	100.0
386.33578	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	386.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.5
55.05497	10.5
56.05018	4.8
56.96556	8.1
57.03434	9.4
64.22204	2.7
67.05511	3.9
69.03120	3.4
69.03429	32.3
70.06590	40.5
71.04246	8.2
71.04962	4.2
72.04471	3.4
72.08165	15.2
73.02910	6.8
74.06071	5.4
79.05486	5.3
81.03430	13.6
81.07076	5.5
82.06542	3.4
82.53463	2.6
83.05004	4.8
84.04499	12.1
84.08135	20.7
85.02912	45.4
86.09709	36.8
87.00862	3.3
87.04458	13.0
88.04017	4.0
91.05488	11.4
93.07059	4.7
95.04976	7.6
97.02891	25.6
98.97581	5.3
100.07571	3.8
103.05455	2.7
105.01870	3.2
106.02863	3.4
107.04961	4.4
109.02868	9.7
110.07178	11.8
111.04475	3.5
115.03934	17.1
116.07092	7.3
119.44670	2.8
120.08093	5.4
121.06495	4.4
121.10143	3.5
123.04428	9.1
124.03957	7.3
126.35576	2.5
127.03914	11.1
129.10246	7.4
131.04956	4.9
133.04979	17.7
133.06393	3.1
136.07616	5.3
137.05984	7.0
138.05513	3.4
139.08627	3.5
143.11827	5.5
145.04933	20.8
146.99619	2.9
147.04451	4.5
149.05965	4.2
151.03859	3.4
153.05461	3.6
161.01196	6.1
163.03876	5.2
163.06026	6.6
163.11151	2.9
167.07036	100.0
167.08405	6.7
177.05482	5.4
179.03528	4.3
179.94890	3.0
191.74748	3.6
193.08630	5.4
203.07489	7.0
207.06436	5.4
207.13786	3.0
215.13916	3.0
220.17165	3.0
224.09149	3.9
237.02695	3.7
283.78207	3.5
301.12418	9.2
343.13608	34.4
386.14188	3.3
387.12225	83.3
387.16412	23.9
405.14523	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	387.1263
Annotation	Axitinib
Peak:m/z	Relative Intensity
53.03942	0.7
55.05507	1.4
56.96550	1.4
67.05494	1.2
69.03409	1.8
69.64388	5.2
70.06588	7.9
71.04933	0.7
72.08156	7.9
74.06059	1.8
79.05466	0.8
81.03407	3.5
81.07043	1.2
83.04958	0.7
84.04509	1.3
84.08135	1.8
85.02878	2.4
86.09712	3.9
86.17890	0.7
87.00828	0.7
89.03937	1.2
94.06548	0.8
95.04919	1.3
97.02892	2.0
98.21500	0.7
98.97585	1.2
107.04957	1.0
107.08577	1.6
109.02875	0.8
111.04408	2.2
116.07101	4.8
117.03350	1.4
119.01866	1.1
121.07614	1.2
122.06012	0.9
123.04404	1.4
124.03937	2.2
127.03938	1.6
129.10233	1.3
135.04413	2.2
135.80182	0.7
139.03894	1.1
139.07304	3.4
139.08647	3.8
147.04410	0.9
149.02234	0.8
163.03906	10.4
164.04254	0.8
167.03357	1.7
167.06985	2.8
167.08261	0.7
171.14850	0.9
173.09172	2.9
185.04173	0.7
187.14420	1.8
189.12387	1.1
195.02991	1.4
198.18646	0.7
207.13716	0.8
213.04108	0.9
221.05054	1.5
225.03951	1.5
227.05190	1.3
242.04791	0.8
268.08014	0.9
293.03339	0.7
301.12579	8.5
325.12442	1.8
343.13626	44.3
369.11832	0.8
378.62585	0.7
387.12500	100.0
387.16116	6.3
388.12863	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.31
Annotation	SESQUICANNABIGEROL
Peak:m/z	Relative Intensity
53.27171	1.1
55.05514	10.1
57.07065	4.1
58.93398	1.0
61.33548	1.0
65.03921	1.0
67.05498	15.8
69.03419	4.8
69.07065	16.5
69.51974	8.5
76.02110	1.0
79.05491	12.2
81.07055	29.8
83.08609	6.0
84.40449	1.0
85.06525	1.6
91.05474	12.9
93.07042	38.9
93.07623	2.2
94.07355	1.8
95.04973	3.1
95.08602	55.0
96.08916	1.3
97.10152	3.3
105.07023	34.2
106.07337	1.2
107.08590	67.2
109.06496	1.6
109.10151	46.5
111.11708	2.2
111.94366	1.1
113.93472	1.0
117.06976	2.0
119.08577	33.4
119.09433	1.8
121.10139	100.0
122.10429	1.7
123.08108	3.0
123.11711	14.6
131.08537	4.4
133.10121	34.0
134.10493	1.3
135.11688	68.9
136.12036	1.1
137.13240	4.2
143.08670	1.4
145.10152	5.3
147.11682	28.8
149.09711	2.7
149.13255	19.7
151.11137	1.2
151.14812	1.4
157.10138	1.6
159.11684	9.2
161.13261	12.7
163.11160	7.1
163.14816	12.2
167.10686	6.3
171.11684	1.7
173.13251	5.6
175.11124	1.7
175.14844	9.7
177.12740	8.2
177.16339	7.4
179.10623	2.4
181.12234	12.9
185.13246	2.5
187.14819	3.4
189.16403	15.9
191.17944	55.3
192.18288	2.3
193.12273	10.2
195.13799	17.4
199.14821	1.3
201.16373	2.4
203.17941	29.4
204.18257	1.4
205.19530	5.0
207.13826	3.1
209.15482	1.2
213.16365	1.6
215.18004	2.5
217.19513	22.0
221.15417	3.6
229.19518	1.6
235.16907	2.0
243.21107	1.8
256.17114	1.1
261.18365	1.8
275.20068	2.9
287.19885	1.4
289.21606	1.9
303.23093	1.7
307.24210	1.9
315.23151	2.6
325.29083	2.5
329.24658	2.4
349.28824	1.8
367.30075	3.0
385.31015	50.7
386.31198	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	385.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51419	4.9
53.03936	10.1
55.01866	22.4
55.05502	17.2
60.02869	5.1
61.28435	4.5
67.05499	24.8
68.63372	4.3
69.03431	11.3
69.07048	19.2
70.06577	16.1
70.32626	21.6
71.04980	17.0
75.04453	4.6
79.05490	50.8
81.03423	11.2
81.07050	54.7
83.04972	16.8
84.08131	12.2
85.02907	14.2
85.06538	16.7
86.09683	9.2
91.05473	56.3
93.07034	88.1
95.04966	19.8
95.08595	30.7
97.02932	6.7
97.06513	22.5
98.09684	8.4
98.97575	6.0
99.04449	15.4
99.21716	4.9
100.07628	6.8
100.11247	13.1
105.06355	9.1
105.07024	83.9
107.04947	13.8
107.08575	75.6
109.06522	25.9
109.10168	15.8
110.07157	6.8
110.93257	4.3
111.08099	9.0
115.05449	7.5
116.98614	6.8
117.06996	7.8
119.04945	7.3
119.08568	57.0
121.06499	35.8
121.10201	7.7
123.04408	6.1
123.08092	11.0
123.11673	7.0
125.05984	12.9
127.07596	9.2
129.06999	8.4
131.08549	15.2
133.06473	9.5
133.10124	40.2
135.04439	5.5
135.08054	20.5
137.05957	19.3
139.07535	15.3
142.07692	5.8
143.03357	6.3
143.07031	9.2
143.08566	11.8
145.10130	17.7
147.04419	13.0
147.08012	11.5
147.11679	100.0
147.27573	5.4
155.06049	5.4
156.09378	6.7
157.08759	6.2
157.10130	20.2
161.06015	7.8
161.09552	5.5
161.13266	14.3
163.43053	5.0
165.12791	23.3
167.07042	31.2
169.04974	31.3
171.11714	21.2
173.06000	14.6
173.09666	6.1
175.11107	31.0
181.04889	5.1
181.08575	10.6
181.10072	5.7
182.15425	4.8
186.03166	5.9
189.12762	32.3
191.06915	5.5
193.08612	6.9
193.12143	26.9
199.11177	9.0
201.05475	69.7
207.06624	6.1
207.13837	16.7
217.12206	45.4
229.06120	11.3
231.06488	7.6
235.07655	7.9
235.13316	18.6
257.05508	6.4
264.07935	6.5
280.60559	4.8
283.36673	5.2
297.65378	5.4
307.15512	23.1
331.15488	8.2
335.09271	8.9
349.16306	28.3
353.13940	5.1
368.08585	8.0
385.16653	7.3
385.31525	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	385.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.0
55.01861	18.0
55.05503	14.2
65.03933	5.2
67.05500	18.5
69.03423	11.4
69.07069	14.0
70.06583	13.4
71.04981	17.3
71.59901	6.4
79.05479	58.6
81.03405	8.4
81.07043	63.5
83.04968	14.8
83.08600	6.6
84.08140	5.3
85.02909	9.2
85.06538	9.5
86.09697	7.0
87.00849	4.2
87.10674	3.3
91.05471	47.1
93.07034	89.6
95.04960	24.7
95.08614	33.3
97.02888	7.4
97.06530	22.9
98.97605	4.3
99.04443	11.2
100.07639	4.6
100.11240	9.3
101.06039	6.0
105.07024	100.0
105.41286	3.7
107.04991	10.2
107.08578	77.3
109.02955	5.1
109.06511	25.4
109.10139	15.5
111.08038	6.3
117.07035	14.2
119.04925	7.0
119.08576	61.6
119.83034	3.7
121.06487	36.3
121.10125	9.9
123.04388	7.2
123.08087	12.3
125.05959	12.1
127.03902	5.5
127.07566	10.5
129.07010	5.0
131.08530	8.9
133.06500	9.4
133.10115	43.2
135.04427	4.3
135.08026	21.1
135.11662	4.7
137.05981	16.1
139.07524	14.4
141.06908	6.3
142.07794	9.2
143.03383	6.1
143.06952	5.0
143.08557	13.3
145.10130	16.3
147.04463	11.2
147.08110	9.7
147.11684	96.2
149.13167	5.8
151.07384	4.6
156.09326	4.2
157.08900	4.7
157.10095	21.2
159.08057	6.5
159.11688	6.2
161.05949	7.3
161.13254	15.6
163.11153	5.5
165.12704	22.0
167.06978	19.1
169.04939	37.6
171.11678	27.3
173.09628	5.8
175.11192	44.5
177.03961	4.6
181.08548	4.9
189.12788	37.2
193.12231	30.3
197.08199	4.1
199.11131	12.7
201.05472	36.0
207.13867	20.1
209.08049	6.1
217.12238	45.9
221.06310	5.1
229.06081	12.7
235.13188	18.6
253.14368	5.1
257.05701	8.8
289.14374	4.9
307.09665	6.8
307.15402	24.5
321.17081	7.2
331.15320	5.7
349.16351	24.5
385.12625	7.5
385.16885	4.8
385.31339	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	385.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.7
55.01869	20.0
55.05499	10.0
55.32359	2.7
56.96556	3.6
57.03410	3.9
57.07070	8.0
67.05506	26.7
68.99788	3.0
69.03429	31.5
69.07072	20.7
71.04977	6.4
73.02908	5.0
79.05479	21.5
81.03410	24.5
81.07056	100.0
83.04969	10.2
83.08631	4.4
85.02905	29.1
87.00803	11.2
87.04507	2.8
91.05498	18.3
92.84084	2.8
93.07045	33.6
95.04951	11.4
95.08606	46.0
97.02908	14.1
97.06520	8.1
97.10148	4.4
99.04455	6.9
103.03976	3.3
105.01863	3.5
105.07014	27.0
107.04955	12.3
107.08575	31.7
109.02858	8.3
109.06522	8.5
109.10142	20.8
111.04418	10.2
111.08058	4.9
115.03925	6.6
116.98569	4.1
117.01821	3.1
117.06992	6.1
119.04958	3.3
119.08553	20.4
121.06464	7.1
121.10148	14.1
123.04427	6.9
123.08047	5.0
123.11693	31.4
125.02372	3.5
125.05925	2.9
127.03922	25.0
128.06227	4.4
129.01826	6.3
129.07004	6.8
130.07765	3.8
131.08575	9.9
133.06465	3.7
133.10100	14.5
135.08057	5.1
135.11702	20.7
137.05978	8.7
137.13266	22.9
143.08597	6.8
145.04930	5.3
145.10118	5.8
147.02942	3.4
147.04428	5.9
147.08035	6.7
147.11729	14.4
149.09566	3.1
149.13248	11.1
151.07593	3.0
155.08646	2.8
157.10092	5.6
159.02853	8.4
159.08044	4.9
159.11693	10.1
161.09537	4.3
161.13257	13.6
163.07516	4.8
165.05544	3.2
165.12758	4.2
167.07062	25.6
167.08340	4.6
170.07146	3.4
171.02937	5.8
171.11627	3.5
172.08902	3.5
173.13246	4.3
174.98970	3.1
177.12813	5.9
179.14331	5.2
181.08542	3.9
185.13277	3.6
189.09111	4.2
191.14301	4.1
199.14937	3.4
203.14351	6.4
217.15955	3.1
221.15405	6.1
223.06062	3.3
227.14345	3.4
231.04985	4.9
245.15295	17.0
263.16418	13.3
280.61414	3.1
349.16293	8.1
353.09940	5.0
367.17474	4.1
385.12567	5.3
385.17648	10.0
385.25732	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	385.164
Annotation	Sigmoidin J
Peak:m/z	Relative Intensity
53.03934	1.3
54.27375	0.5
55.01860	1.7
55.05499	1.4
56.00261	0.5
56.96556	1.0
57.03439	0.6
65.03922	0.8
66.92445	0.6
67.05499	1.2
69.03423	1.4
69.07047	1.5
71.60024	0.9
78.04706	4.1
79.05056	0.8
79.05486	9.6
81.03409	0.8
81.07066	3.6
83.04995	1.0
85.06499	0.5
91.05470	6.4
93.07043	2.4
95.04968	2.6
95.08584	2.2
97.02868	0.7
97.06538	0.6
98.97564	0.8
103.05441	0.9
105.03355	0.7
105.07027	2.4
106.04154	1.1
107.04950	14.5
107.08572	1.4
109.02882	0.8
109.06535	0.8
109.10157	0.7
114.28709	0.5
115.05432	0.7
117.06992	0.9
119.04942	1.1
119.08561	1.3
121.06482	2.3
121.10110	0.9
122.03615	1.4
123.04414	7.8
123.11674	0.7
124.05198	5.9
125.05999	2.1
128.06210	2.5
131.04964	1.2
132.02043	1.9
133.06461	1.4
135.04387	1.0
135.08096	0.7
137.05957	1.3
139.03883	0.6
141.07028	1.0
143.08553	1.8
145.06418	1.5
146.00127	0.6
147.04373	1.9
149.02339	11.3
149.03426	0.9
149.05956	0.9
150.69814	0.5
151.03877	2.1
152.04662	4.1
153.07025	0.9
161.06006	1.3
164.04678	0.9
166.06268	1.1
167.07030	100.0
168.07402	1.0
170.07242	6.0
171.08014	2.9
173.05962	1.4
179.07033	10.5
179.08531	1.1
181.04912	0.9
181.06540	0.7
181.06934	0.8
181.08588	8.1
187.07552	0.8
188.08292	2.2
189.09062	0.6
193.04967	10.0
193.08507	2.5
198.06795	1.8
199.07581	2.8
203.08742	0.7
203.10643	2.1
205.06779	0.7
205.08667	1.6
207.08109	1.0
216.07826	2.3
218.07307	0.7
219.08057	1.4
219.10124	0.7
220.08884	0.8
231.10150	20.8
232.08740	0.9
233.09595	1.9
235.07516	2.5
236.08188	0.8
237.02872	0.7
242.57925	0.7
247.07707	0.6
248.08084	0.6
248.21590	0.6
249.09090	0.9
250.09996	1.6
261.09055	2.0
263.07025	2.7
264.07828	0.9
265.08527	0.7
265.12042	0.8
267.10004	0.8
269.08145	0.7
269.10754	0.7
275.10876	0.9
277.08420	1.2
278.09308	2.2
279.10095	1.1
280.07138	0.5
287.11627	1.7
289.08606	0.7
291.10184	0.8
293.08530	0.7
293.11661	3.1
295.09650	1.7
296.10291	0.9
306.08920	0.6
307.09671	1.6
309.07739	0.7
310.11713	0.6
315.08746	0.7
321.11200	2.6
323.09100	1.1
324.13425	0.7
325.14117	1.5
330.10934	0.9
338.11526	1.0
339.12183	0.6
341.06531	1.3
353.09961	0.6
353.13846	4.0
354.14624	0.9
355.11624	1.5
357.13354	1.0
359.07706	1.4
370.14099	0.8
385.09048	10.5
385.16342	34.8
385.24124	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
55.01861	1.5
55.05497	1.5
57.03439	1.0
57.15736	0.7
60.79913	0.7
61.02937	0.8
67.05506	2.1
68.99796	0.7
69.03415	3.3
69.07066	2.2
70.06596	7.0
71.58813	1.3
72.08155	4.8
75.00816	0.7
75.05598	2.0
78.04707	4.4
79.05489	8.8
80.05021	0.9
81.03408	2.6
81.07049	2.0
83.04967	4.6
84.04505	3.2
84.05284	1.6
84.08132	2.5
85.02909	5.5
86.09706	16.3
91.05481	7.8
93.07043	4.6
94.04178	0.8
95.04946	3.9
95.08601	1.5
97.02888	3.7
98.97576	0.8
99.04460	0.9
103.05464	3.4
105.03403	1.0
105.07021	6.6
106.04156	1.6
107.04955	14.5
107.08568	1.0
108.86282	0.8
109.02867	1.4
109.06512	0.7
110.07154	7.3
111.04471	0.9
115.05465	4.4
116.07086	2.0
116.98627	1.0
117.07008	4.1
118.04115	0.8
118.06544	21.6
119.04919	2.1
119.08594	1.1
120.04470	0.8
120.05669	1.0
120.08087	2.9
121.02886	0.9
121.06520	9.6
122.03635	1.3
123.04424	6.8
124.03943	0.8
124.05190	4.2
125.05939	1.0
127.03909	2.3
128.06201	4.0
129.10216	1.4
130.04996	1.1
130.06509	14.5
131.04921	1.6
131.07343	1.1
132.08083	4.3
133.06480	7.6
135.04405	0.8
135.08044	1.2
136.05150	0.8
137.02318	1.0
137.05957	2.2
138.06725	1.0
141.06963	1.5
142.06535	1.3
143.07335	0.9
143.08563	2.8
143.11789	8.9
144.05699	0.9
144.08084	3.6
145.04900	1.2
145.06520	3.6
146.06006	12.3
147.04399	5.1
149.05983	4.3
151.03918	3.0
151.07492	1.1
152.04695	3.1
153.05487	1.6
153.06953	0.7
155.06047	1.2
156.05716	6.2
156.08009	0.9
160.05251	1.0
160.07574	21.1
160.08836	1.6
161.06039	5.1
162.03128	1.1
162.06775	0.8
163.03912	1.0
163.07512	1.0
164.75021	0.8
165.05515	1.6
166.06212	3.2
167.07039	82.0
170.06026	7.4
170.07332	2.0
171.07997	4.1
172.05229	0.9
173.05960	5.2
175.04018	0.8
177.05481	1.1
177.09061	0.8
179.07018	3.3
181.08601	26.0
184.05202	1.4
187.03967	1.9
187.07561	3.6
188.07051	18.7
189.05444	0.9
191.06898	0.9
193.08586	23.7
199.07579	5.5
201.05482	8.7
201.66821	0.8
202.06171	1.1
203.08626	1.7
205.08612	4.0
206.08128	54.3
207.02747	1.0
207.08125	1.4
208.03661	67.5
209.04143	0.9
215.08635	1.1
216.07777	1.5
217.08545	9.5
218.07272	2.2
222.06883	0.8
223.06003	100.0
224.06461	3.8
231.03015	1.1
231.08058	1.7
231.10143	14.5
232.08763	1.2
233.09589	4.3
234.06644	1.2
235.07532	1.2
237.09137	1.0
247.07600	1.3
249.05627	0.8
249.09143	1.9
251.06978	1.1
251.10397	0.8
261.09143	4.7
263.07111	2.7
264.07776	0.9
273.82730	1.0
275.06821	0.8
277.08823	1.3
278.05798	0.9
278.09378	2.1
289.08624	1.9
290.09396	1.1
293.11691	4.2
295.09457	1.7
306.08713	1.3
307.09598	1.3
310.11981	1.8
321.11206	4.2
323.09070	0.9
323.12592	1.0
325.14529	4.3
339.08606	1.3
339.12323	0.9
341.10046	1.0
343.11243	1.1
353.13843	7.8
354.14520	1.3
385.16165	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0316
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	6.3
70.91544	1.3
70.91939	1.1
71.95250	1.0
98.97571	26.5
99.97887	1.1
100.97199	0.6
116.98611	38.6
117.98975	1.1
119.01923	6.1
134.99646	43.0
135.99982	1.7
136.99207	0.9
137.02931	3.6
153.00711	11.0
155.00253	0.6
158.01253	1.2
158.99908	0.8
176.99364	1.0
177.00935	18.3
178.01117	1.9
179.00836	1.0
201.00975	0.9
217.04065	2.0
219.01974	26.4
220.02023	3.7
221.01871	2.3
225.00861	3.3
234.99942	2.8
236.00034	1.8
236.99725	3.7
238.00093	0.7
240.98842	2.2
242.03703	0.9
242.98526	1.7
243.01901	5.7
243.03804	0.5
253.01012	1.0
255.00819	0.8
258.99817	17.9
260.00034	6.3
260.99734	20.3
261.03046	100.0
261.99957	2.2
262.03207	6.6
263.02969	2.1
264.98788	1.0
266.98724	1.0
268.11606	0.6
274.97638	1.0
275.98380	0.6
277.00830	36.8
278.00952	9.8
279.00638	39.4
280.00925	3.4
282.01346	1.0
282.99887	6.4
283.99884	3.0
284.04486	2.8
284.99756	15.8
285.99817	3.2
286.99658	0.7
291.99429	0.9
300.02197	1.1
301.01022	15.7
302.01151	8.6
303.00836	39.4
304.00888	8.9
305.00732	2.1
318.00693	0.8
318.98688	1.0
319.02130	1.2
321.02090	3.5
322.02002	1.1
326.02377	0.6
342.02039	0.9
343.02069	4.9
344.02182	1.2
361.01376	10.0
367.02127	1.6
379.02399	5.8
385.03320	15.4
386.03152	1.4
403.00415	7.7
403.04266	16.1
404.04642	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
55.01887	2.7
56.96557	3.1
63.73520	1.6
66.23791	1.7
67.05497	2.0
69.03433	2.7
70.06591	6.7
71.34232	3.2
72.08157	1.9
75.65353	2.1
79.05492	5.4
81.03428	4.9
83.01375	1.9
83.04960	3.9
84.08123	4.0
85.02893	4.0
89.03904	2.1
91.05474	6.9
93.03400	1.6
93.75908	1.8
95.04969	5.6
96.84650	1.9
97.02865	3.4
103.05466	7.1
105.07034	60.6
107.04961	2.6
110.07152	3.5
111.04440	3.4
115.05461	13.5
116.98592	2.1
117.03322	1.6
117.07034	4.2
118.04154	2.7
123.04443	6.7
131.04932	5.5
133.06502	53.8
135.04456	3.2
136.06192	5.7
139.03964	2.2
143.04935	2.6
143.06012	2.9
145.06505	5.1
147.04483	2.6
151.03914	3.9
155.07057	3.1
159.04309	1.6
161.05988	100.0
162.06346	2.3
163.03877	9.4
167.07060	21.8
173.06046	2.7
175.03912	3.3
177.05388	2.6
179.07080	2.5
183.06519	1.9
190.02562	1.8
190.06236	3.1
191.07014	2.3
193.08623	48.1
194.08980	1.9
201.05515	3.0
205.08652	4.6
207.06509	7.8
219.06612	3.3
229.04991	3.1
231.06564	2.9
233.04474	5.9
233.08051	4.7
237.02844	2.1
247.06049	2.3
251.09154	19.7
252.07205	2.2
256.37738	2.0
261.07584	10.1
275.09171	2.6
289.07141	2.2
293.10236	2.7
305.09921	2.1
307.08148	4.3
385.15143	3.1
385.20621	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	385.1128
Annotation	Mandshurin
Peak:m/z	Relative Intensity
52.23166	0.4
52.66891	0.4
54.53292	0.4
56.00274	0.4
69.57034	3.2
70.06566	0.5
70.29714	0.4
78.21915	0.4
82.30899	0.3
84.95927	0.3
86.09660	1.2
87.50124	0.3
103.30811	0.3
116.07037	0.4
119.12074	0.4
137.05869	0.4
164.16933	0.5
167.07040	0.5
169.50499	0.4
177.05405	0.5
183.64397	0.5
194.89719	0.4
208.03653	68.4
209.04037	1.5
223.06000	100.0
224.06326	3.2
321.46881	0.4
387.85770	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01646	0.8
55.01870	7.6
55.05500	2.5
55.87933	0.7
56.96564	30.4
57.03412	0.7
57.07052	0.9
63.07135	0.8
63.35375	0.7
66.07306	0.7
67.05506	4.3
69.07041	2.8
71.04952	1.2
71.58942	0.6
71.59350	1.1
71.95241	2.5
72.96041	1.6
79.05478	3.2
81.01387	0.7
81.03425	0.9
81.07053	6.9
83.08613	1.0
84.96034	14.8
85.02849	0.7
85.06522	0.9
91.05485	4.5
92.98634	1.4
93.07037	3.8
95.04984	1.1
95.08605	6.4
97.02889	0.7
97.06520	1.2
97.10184	1.2
97.96802	1.1
98.97565	2.8
102.97082	2.7
104.02674	0.9
105.07018	3.4
107.04967	1.6
107.08585	2.6
109.06503	1.0
109.10131	1.3
110.97583	0.7
111.00827	4.0
115.13048	0.8
116.98598	3.3
119.08568	3.0
121.10149	1.3
125.05959	0.8
129.07005	1.1
133.01799	0.8
133.10138	1.5
134.99663	1.9
135.11700	1.4
137.05954	1.2
141.02171	1.0
143.03386	1.4
143.08582	0.7
146.99596	1.7
147.03255	0.9
147.04395	1.5
148.95711	0.8
155.03741	1.9
159.11681	0.9
161.13182	1.0
165.00577	1.0
167.07062	6.9
169.05331	0.9
170.07211	1.1
171.02892	4.4
173.04796	1.3
177.00633	0.9
177.05695	0.9
177.09126	0.7
179.14270	1.6
181.05077	1.0
187.06290	0.9
193.08517	0.8
217.11893	0.7
221.05861	0.8
222.06844	1.0
223.10086	3.0
225.11623	2.5
231.10213	1.7
235.10054	2.0
237.09409	0.7
237.11603	4.2
239.09555	0.8
241.11104	22.7
243.12674	1.2
249.11482	3.5
253.11098	44.1
255.12675	11.0
259.12180	39.4
264.12811	1.4
265.11136	1.4
267.12674	27.8
271.12164	100.0
272.12506	2.4
273.13684	6.5
276.12698	1.9
278.14236	1.1
282.13922	1.9
283.12112	2.8
285.13727	19.4
289.13242	5.9
290.14191	1.0
294.13748	8.4
295.09213	0.9
295.12183	11.5
307.09659	1.3
308.15372	1.1
309.13705	1.6
313.13193	20.2
315.05011	2.5
325.13467	1.5
327.14832	5.5
336.14807	2.0
339.15042	0.9
355.14642	1.0
367.14398	2.7
367.36972	1.1
370.09387	0.9
385.08878	1.1
385.15829	14.2
385.22916	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	8.1
57.07054	11.7
65.36505	8.9
67.05499	31.0
69.07059	29.4
69.45382	32.2
69.45805	28.7
73.49926	7.5
76.77551	7.0
79.05489	13.6
81.07052	61.2
82.89478	7.6
83.08621	15.7
85.06537	19.0
88.24846	8.8
91.05479	24.5
91.28777	7.4
93.07029	60.2
95.08603	100.0
105.07022	66.0
107.08586	68.8
109.10142	35.9
119.08565	84.8
121.10149	67.7
123.11715	14.5
131.08539	14.8
133.10123	41.2
135.11705	35.7
145.10146	16.1
147.11694	31.2
149.13177	37.9
159.11682	33.4
161.13219	46.1
163.14804	25.8
173.13297	13.0
175.14780	38.8
186.65742	8.9
187.14809	9.6
189.16400	18.8
191.17966	69.7
203.18040	34.4
217.19656	14.8
257.22467	9.3
335.43497	6.6
365.31882	16.5
376.25195	8.5
383.12964	7.9
383.33020	68.8
384.14771	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	384.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78494	3.1
53.03936	8.9
55.01855	7.2
55.05497	9.0
56.05033	9.8
57.03424	5.7
61.01140	6.5
61.02914	5.6
67.05488	5.4
68.99805	3.4
69.03429	34.5
69.71901	18.3
70.06596	17.1
70.83668	2.6
71.04958	3.7
71.17431	2.7
72.08148	6.3
73.02909	7.3
76.35207	3.0
79.05481	7.0
80.05019	6.5
81.03423	30.4
81.07072	5.6
82.40907	2.9
83.08619	7.0
84.08127	8.1
85.02901	100.0
86.09701	10.6
87.00829	42.0
89.32131	3.4
91.05473	8.7
93.07031	4.0
97.02888	30.3
98.06049	12.3
98.21471	6.1
99.04433	9.0
104.05325	5.3
105.01861	68.7
105.07027	6.3
107.04935	4.4
109.02869	24.5
110.07115	3.0
119.04956	3.0
119.08553	5.3
120.08086	7.4
127.03918	83.3
129.01843	4.6
129.10272	4.0
133.06433	3.7
137.05942	4.4
138.05528	3.9
145.04947	26.9
157.80579	4.0
159.02908	6.4
201.05478	5.9
208.03781	5.6
209.11719	5.8
217.04819	3.9
223.05968	4.5
227.12775	4.8
231.04927	28.3
234.07654	7.5
243.25212	3.1
249.06030	7.2
322.19275	4.4
331.13834	11.6
384.15897	4.0
384.23340	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	384.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.8
55.01875	10.0
55.05508	70.2
56.96554	18.8
57.03450	9.4
69.03424	24.3
70.06589	63.6
70.91473	17.5
71.04987	30.3
74.06087	8.5
79.05500	12.9
81.03409	16.7
81.07043	36.0
82.06573	9.0
83.04977	22.9
83.08614	15.3
84.04508	13.0
84.08121	35.0
85.02917	42.6
86.09698	22.7
87.04440	7.7
91.05472	20.2
94.40781	8.3
95.04984	9.4
96.04471	8.5
97.02876	14.1
97.06533	9.8
98.97571	8.7
102.05565	9.5
107.08631	14.0
109.10137	11.1
110.07146	20.3
116.98621	17.1
120.08164	8.7
123.11678	14.2
127.03860	19.0
129.10240	16.4
133.06763	18.4
133.10149	18.5
135.04396	15.3
136.07550	9.1
145.04906	11.6
147.04414	18.0
151.11148	8.6
161.01250	12.1
163.03941	40.5
165.05534	8.1
169.12242	100.0
175.23106	7.7
181.04976	9.0
203.07642	13.0
205.08899	13.7
208.03629	8.8
222.07671	13.3
222.11551	13.8
223.05972	14.9
237.02705	11.0
252.08040	7.5
281.07895	7.5
337.54672	7.5
352.12479	11.9
384.15979	12.4
385.14453	13.6
386.77222	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	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.78349	1.6
53.03942	5.3
53.74776	1.8
55.01869	3.2
55.05513	17.7
56.96575	1.7
57.03437	1.9
57.07084	10.6
59.04998	5.4
62.25789	1.7
65.03941	3.1
67.05505	30.4
67.52356	1.6
69.03433	16.8
69.07068	9.7
69.36971	17.5
71.04990	4.7
79.05492	32.3
81.07062	36.9
83.04994	5.8
83.08631	3.7
84.08154	2.0
85.06559	6.9
91.05480	49.3
93.07043	100.0
94.07373	2.3
95.04972	26.6
95.08610	35.9
97.06532	11.8
98.21553	3.7
103.05467	3.0
105.07030	85.0
107.04945	3.2
107.08595	46.5
109.06522	26.9
109.10148	19.0
111.08080	6.1
115.05479	3.7
116.06221	2.7
117.06991	11.7
119.08582	56.0
120.09391	4.1
121.06529	14.2
121.10142	38.6
123.08073	35.5
123.11715	1.8
125.06022	2.1
128.06232	9.5
129.07024	12.9
130.07780	5.2
131.08572	26.4
133.06491	8.4
133.10133	26.3
135.08069	20.3
135.11739	5.5
137.05994	4.0
137.09598	11.9
139.07466	2.4
141.07013	4.9
142.07777	23.7
143.08572	25.3
144.09357	4.1
145.06427	2.8
145.10118	35.6
147.08052	23.5
147.11644	10.6
148.08836	3.4
149.09605	22.3
151.07547	32.4
151.08763	1.9
153.09148	3.0
155.08559	8.6
156.09351	9.2
157.10130	33.1
159.08075	6.3
159.11716	11.6
160.08846	2.9
161.09605	21.5
161.13274	7.0
163.11203	5.7
165.09119	26.2
167.08527	3.5
168.09389	2.8
169.10168	7.0
170.10945	5.0
171.08003	2.0
171.11690	6.7
173.09625	8.7
173.13324	5.8
175.11189	21.1
175.12578	2.5
175.14810	5.2
177.09146	10.0
179.08725	2.4
181.08659	1.8
181.10185	4.9
181.12242	2.1
182.10925	2.3
183.11754	4.7
185.09679	3.2
185.13228	17.3
187.11226	5.2
187.14903	3.5
189.12769	9.5
191.14278	2.4
192.09515	2.0
193.10139	2.7
194.11020	2.5
195.11734	4.2
197.13309	3.9
199.11188	4.4
201.12666	8.4
203.14326	24.9
207.13805	13.0
209.13483	4.3
209.15372	4.6
213.12759	6.1
215.14377	5.4
216.15125	2.8
219.13860	5.6
221.15356	55.1
223.14964	2.5
225.16348	2.1
227.14290	4.4
229.12154	2.2
231.13922	2.4
233.15358	2.8
234.16171	9.5
235.14734	2.6
235.42601	1.8
239.14415	2.2
243.13873	2.5
265.15863	2.2
271.16772	2.0
281.18936	3.3
286.19244	4.1
287.20010	8.5
291.73306	2.3
299.20105	5.5
303.19659	5.8
327.19604	2.0
365.24533	9.4
383.25708	53.0
384.26126	4.2
390.85031	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.01865	3.2
55.05517	16.2
55.31022	2.0
56.96560	7.0
57.03427	4.0
57.07069	10.7
59.04993	5.4
59.11308	2.3
61.02919	3.4
61.69570	2.3
61.98487	2.4
65.03923	4.2
66.17044	2.2
66.21245	2.0
67.05502	39.7
67.05833	4.5
69.03425	17.3
69.07059	8.1
70.66293	7.3
71.04990	6.7
79.05493	34.0
81.07050	38.0
83.04973	8.4
83.08591	2.6
84.08124	5.5
85.02906	4.9
85.06541	4.8
91.05480	40.4
93.07041	100.0
94.07397	3.5
95.04965	28.1
95.08607	40.0
97.06528	11.2
103.05470	2.7
104.89602	2.4
105.07027	63.7
107.08591	47.5
109.06520	20.9
109.10139	21.8
111.08078	9.6
113.26998	2.7
115.05466	3.8
117.07006	14.2
119.08575	54.7
120.09375	2.7
121.06496	13.9
121.10140	47.8
123.08054	28.0
123.11679	5.1
128.06218	8.7
129.06976	11.3
130.07790	3.0
131.08575	27.8
133.06480	9.1
133.10118	31.7
133.45532	2.3
135.08034	26.4
135.11725	4.3
137.05997	3.8
137.09576	15.5
141.06964	3.5
142.07793	18.8
143.08554	16.6
144.09291	3.8
145.10121	39.6
147.08055	30.0
147.11659	17.9
149.09622	24.6
151.07532	37.2
153.09068	3.1
155.08565	6.8
156.09357	6.8
157.10114	36.6
159.08096	5.7
159.11653	16.3
160.08804	2.7
161.09641	18.7
161.13274	8.4
163.11191	10.7
165.07022	3.1
165.09113	48.5
169.10187	4.5
170.10912	4.6
171.11641	5.8
173.09650	12.0
173.13264	7.9
175.11148	19.4
175.14832	7.0
177.09117	16.0
183.11739	6.9
184.12274	2.6
185.09605	2.7
185.13246	14.1
187.11174	5.4
189.12694	12.5
191.14291	5.8
195.11676	4.5
197.13213	4.2
199.11102	3.9
201.12741	10.1
203.14301	31.8
207.11972	4.3
207.13702	12.2
209.13286	5.3
209.15295	5.0
211.11237	2.9
213.12665	4.4
215.14264	5.7
219.13826	7.8
221.15347	87.1
223.14825	3.3
225.12878	4.8
227.14418	3.0
229.12227	2.8
231.13803	6.6
233.15396	6.0
234.16138	13.6
243.13817	2.9
251.11024	2.6
269.12573	4.8
279.55402	3.4
281.19049	3.6
286.19223	7.0
287.20038	8.5
296.29480	6.6
299.20026	6.2
300.20688	2.7
303.19556	8.4
309.18665	5.4
323.09641	4.1
365.24771	9.7
365.35385	5.7
366.33759	4.0
383.25659	56.0
384.25833	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01615	0.7
55.01861	5.6
55.05507	4.9
57.03437	3.8
57.07062	1.3
59.04988	0.5
65.03917	0.6
67.05167	0.7
67.05502	9.4
69.03410	0.9
69.07063	6.0
71.04980	0.7
71.08623	0.7
79.05490	6.2
81.07050	28.8
82.07410	0.4
83.04979	3.1
83.08614	2.7
85.06552	0.6
91.05477	3.4
92.75444	0.3
93.07034	6.7
95.04942	0.8
95.08597	6.6
97.06519	1.1
101.09641	0.6
105.07021	4.2
107.04946	0.6
107.08588	5.2
109.06510	11.0
109.10146	4.9
111.04440	17.1
111.08067	1.6
113.06004	0.6
117.07012	0.6
119.07769	0.6
119.08574	6.0
121.06544	0.4
121.10139	4.1
123.08070	2.5
123.11681	1.9
125.05981	7.7
125.09582	0.5
128.06158	0.5
129.06982	0.7
131.08545	2.6
133.06450	0.6
133.10120	5.2
135.08031	3.1
135.11694	4.2
137.05966	100.0
137.09590	1.3
137.13245	2.1
138.06317	0.8
139.07541	0.7
141.69833	0.4
143.08600	1.0
145.10136	1.9
147.08055	1.8
147.11679	6.4
149.09593	3.6
149.13242	1.2
151.07518	3.0
151.11151	0.8
155.10728	0.6
157.10095	1.9
159.11656	1.1
161.09619	5.7
161.13266	2.7
163.11143	2.8
163.14769	1.2
165.09085	1.8
165.12694	0.7
167.10703	1.2
171.11678	1.3
173.11697	0.8
173.13148	0.4
175.11186	5.2
175.14828	1.1
177.09100	0.6
177.12704	0.6
179.10645	2.5
181.12192	0.9
185.13228	0.4
189.12749	1.0
193.12230	1.4
203.17957	6.2
205.19496	1.0
207.06563	0.5
213.16348	2.8
221.19006	1.4
223.14810	0.9
231.17416	9.6
241.15845	1.2
249.18488	13.1
259.16968	0.6
263.20114	0.5
277.17972	58.4
278.18359	1.1
295.19012	23.5
296.19601	0.4
318.03604	0.4
323.12613	0.5
351.12289	0.6
351.21649	3.6
383.14853	1.7
383.24246	10.0
383.29065	0.6
406.81711	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2577
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03944	6.5
53.40840	2.6
55.01862	3.3
55.05507	15.9
57.07077	15.6
59.04999	6.8
65.03929	4.2
67.05502	33.1
69.03428	15.5
69.07056	9.8
70.06586	4.8
70.33453	10.9
71.04986	8.2
71.08625	7.0
72.08154	6.4
79.05478	31.7
81.03402	3.4
81.07057	41.2
83.04982	8.4
83.08611	8.1
84.08131	12.5
85.02892	4.3
85.06548	7.2
91.05476	44.6
93.07035	100.0
95.04967	36.1
95.08608	39.0
97.06519	17.0
105.07025	79.5
107.04964	3.4
107.08587	50.7
109.06506	27.0
109.10174	24.7
110.03860	3.0
111.08080	8.5
113.42903	2.7
117.07028	9.6
119.08580	48.5
120.09335	3.8
121.06487	15.1
121.10136	46.9
123.08073	34.9
123.11691	4.4
125.09653	4.0
128.06221	7.7
129.07005	12.1
130.07758	3.9
131.08562	27.0
133.06485	9.2
133.10107	29.5
135.08040	29.8
135.11720	5.9
137.06030	3.9
137.09622	14.1
141.06981	5.8
142.07765	21.3
143.08527	25.3
144.09329	3.9
145.10130	45.5
147.08028	32.7
147.11696	14.9
149.09601	27.1
151.07542	41.5
155.08607	6.9
156.09357	10.3
157.10124	39.6
159.08054	6.9
159.11673	21.3
160.08839	5.8
161.09608	22.1
161.13280	12.0
163.11215	5.3
165.09106	35.2
169.10135	6.3
170.10855	5.4
171.11674	11.3
173.09624	13.4
173.13251	9.8
175.11139	19.5
175.14841	8.2
177.09100	10.0
179.08652	3.8
179.14119	3.2
180.75856	3.0
183.11732	4.4
184.12537	3.3
185.13205	22.6
187.11156	7.1
187.14763	3.3
189.12743	13.2
195.11697	4.9
197.13245	7.8
199.11279	4.7
199.14862	3.6
201.12775	9.4
203.14313	34.6
207.11899	5.8
207.13818	14.4
209.13361	5.7
209.15245	6.5
213.12654	4.9
215.14320	11.7
219.13782	5.3
221.15356	88.6
223.14888	3.6
225.12697	3.4
225.16365	3.7
227.14262	7.8
231.13762	4.2
233.15341	7.2
234.16068	15.3
237.14865	3.4
243.10847	6.7
243.13739	4.7
286.19241	8.0
287.20209	7.1
296.29443	35.3
299.19974	4.8
303.19666	8.8
335.25949	3.2
347.23230	3.9
365.24750	17.3
365.35287	25.6
366.33807	19.5
383.25797	83.9
383.30554	5.4
383.36328	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	383.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01860	6.4
55.05297	2.1
55.05508	20.7
56.96549	3.4
57.03433	10.2
65.03936	2.4
67.05499	27.1
69.03415	8.5
69.07063	17.0
69.78123	11.8
70.06588	2.9
71.04977	5.9
73.02887	3.0
77.16673	1.9
79.05489	25.8
81.03414	20.4
81.07045	37.9
83.04974	9.7
83.08604	15.4
85.02905	16.0
85.06516	4.2
91.05460	19.4
93.07032	22.7
95.04942	11.5
95.08601	18.8
97.02896	4.6
97.06516	2.2
97.10159	11.2
98.21440	4.0
98.97572	3.1
99.04395	2.5
99.08105	2.9
100.11258	3.4
105.07008	21.3
107.04958	6.9
107.08585	13.1
109.02885	3.0
109.06532	5.6
109.10149	11.4
111.04424	6.6
111.08083	7.7
115.05421	2.8
117.06994	5.7
119.08556	16.1
121.06487	4.8
121.10137	11.4
123.08070	12.5
125.09624	8.4
127.03922	3.5
128.22192	2.2
129.06976	5.6
131.08553	8.2
133.06470	2.9
133.10118	8.1
135.08032	3.7
135.11673	7.0
137.05971	3.9
137.09616	3.1
145.10158	5.2
147.08023	4.4
147.11673	8.7
149.09589	2.4
155.08540	3.8
157.06500	2.7
157.10156	5.8
159.11662	5.7
163.11205	6.6
165.09055	3.2
167.07018	3.3
169.06522	5.6
175.11186	4.6
181.12209	3.4
189.11238	12.1
190.07697	2.8
191.08563	4.1
193.12210	17.0
198.14859	3.4
199.14856	2.7
203.08347	4.0
205.06540	3.8
211.13252	11.7
215.08615	3.9
218.07300	6.3
219.08099	9.5
220.08820	9.1
223.13206	3.0
229.08604	8.5
231.08041	14.2
232.08965	2.9
233.06033	3.5
233.09627	5.9
235.07471	3.1
235.11215	3.8
236.08540	2.4
237.09050	3.7
245.09688	6.2
246.06732	2.4
247.07504	19.5
248.08276	20.0
249.09035	5.3
259.07590	6.0
260.08292	3.2
261.05609	2.2
261.09140	6.4
262.06250	2.9
262.10025	6.9
262.21194	2.7
263.07141	4.4
263.10651	15.0
264.07864	2.3
265.08655	7.3
273.09027	2.5
273.18503	7.0
275.06995	7.1
276.07758	12.0
277.05313	2.4
277.08676	7.4
278.09412	2.6
279.06635	4.0
279.10120	4.5
280.10556	2.4
285.17126	4.8
289.08493	3.7
290.09344	6.2
291.10110	24.1
291.19482	20.1
292.07312	4.1
292.10757	3.6
293.08090	11.5
294.08887	3.7
295.06125	2.6
304.07272	2.1
305.08237	5.0
307.09683	5.8
308.10452	8.6
309.11234	4.4
315.08765	3.7
318.09030	2.7
319.09531	10.3
321.07443	8.5
321.10995	4.7
322.08426	2.6
323.12842	18.8
325.10785	3.6
330.11041	4.1
335.09122	2.6
336.09897	8.7
337.10532	11.1
338.07794	4.3
351.12259	32.9
352.12866	7.9
353.10226	10.4
365.23364	3.8
368.12558	12.3
383.14941	100.0
383.24338	11.0
384.15244	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	383.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	12.0
55.01876	22.5
55.05285	3.8
55.05513	28.8
56.96555	9.7
57.03427	15.1
57.07068	3.8
61.02913	7.1
63.02433	3.4
65.03915	4.8
67.05502	32.9
68.99782	14.2
69.03072	6.3
69.03427	100.0
69.07064	18.2
71.01356	4.0
71.04987	47.8
71.21107	7.2
71.21436	4.9
73.02904	7.2
73.72353	3.9
79.05492	38.3
81.02968	6.3
81.03413	70.0
81.07046	58.7
83.04976	13.5
83.08641	6.2
84.08115	4.9
85.02906	52.4
85.06544	6.2
86.09695	4.0
86.68507	3.2
87.00829	22.3
87.04464	4.2
91.05481	56.9
93.07037	61.9
93.70432	4.0
95.01328	4.3
95.04939	24.9
95.08604	41.1
97.02882	47.3
97.06529	8.6
97.10171	3.6
98.97638	3.4
99.04475	10.9
99.08092	12.2
100.11256	9.9
103.03917	4.4
103.05474	7.1
105.01858	12.8
105.07028	84.5
107.04934	20.3
107.08595	50.8
109.02863	20.6
109.06530	32.7
109.10140	31.2
110.92618	3.2
111.04456	13.4
111.08059	4.2
113.06012	4.5
115.03927	13.5
115.05475	6.1
116.68083	3.3
117.07011	23.6
119.04921	11.8
119.08568	59.3
121.06501	31.0
121.10136	43.4
123.04430	12.7
123.08067	20.1
123.11723	18.2
125.05927	4.3
125.09641	6.6
127.03914	14.5
127.07539	18.5
127.11179	3.6
128.06223	9.5
129.01836	11.2
129.06995	15.8
130.07764	13.0
131.04869	5.6
131.08559	31.8
133.06516	16.9
133.10129	35.6
135.04427	6.2
135.08063	20.5
135.11673	34.0
137.05957	10.6
137.09625	10.3
137.13228	6.0
141.07036	7.3
142.07785	5.8
143.08565	21.7
144.09325	4.4
145.06500	9.8
145.10101	46.5
147.04390	4.9
147.08034	28.3
147.11655	22.5
149.05989	5.2
149.09608	11.7
149.13268	6.1
151.07541	7.4
151.11180	15.9
153.12682	4.1
155.08556	15.0
156.09370	5.9
157.04227	3.7
157.06500	7.2
157.10127	11.7
158.07263	5.0
159.02942	9.5
159.08020	11.0
159.11661	23.2
161.05988	8.6
161.09637	12.5
161.13251	13.6
163.03911	15.4
163.07491	7.8
163.11160	19.1
165.12756	25.0
167.07031	8.3
169.10205	4.9
171.02858	4.4
171.08063	14.0
171.11717	7.4
173.09621	46.5
173.13223	7.3
175.07556	21.9
175.11145	11.9
175.20216	3.4
177.09071	9.2
177.12759	27.0
179.03339	3.6
179.10672	6.0
179.14310	7.3
183.08061	3.8
183.11649	4.3
185.09500	3.7
185.13251	3.6
187.07547	3.7
187.11174	8.2
187.14764	7.3
189.03999	6.2
189.09160	11.9
189.12746	15.8
189.16377	4.0
191.10623	25.7
193.08583	5.4
193.12238	13.3
195.11710	5.9
197.13251	5.1
201.03937	20.7
201.09099	8.4
201.12839	7.7
202.07838	7.7
203.10667	3.6
205.12234	8.1
207.13707	5.8
215.10735	3.8
215.14326	13.0
219.08067	8.1
219.13791	9.8
220.09013	5.0
225.12639	5.0
229.08595	6.8
231.08044	6.3
231.13799	6.3
233.09529	4.3
233.11795	3.6
233.15306	6.7
237.14807	5.1
243.13846	31.2
247.07475	12.4
248.08330	9.4
261.14905	41.3
262.09784	4.5
263.10739	5.9
265.08759	6.4
275.07083	5.8
276.07843	8.4
276.78088	3.6
277.05093	4.7
277.08353	5.1
279.15836	18.8
290.09409	7.0
291.10202	13.7
291.19485	8.2
292.07294	8.9
293.08008	9.7
305.08093	7.2
307.06216	4.5
307.09540	7.8
308.10376	10.5
310.08258	3.7
321.07492	4.8
321.17181	4.2
322.08551	5.9
323.12701	10.1
336.09766	5.5
337.10599	15.3
347.14932	8.9
351.08627	7.3
351.12418	16.2
353.10117	9.8
365.16141	21.7
368.12521	12.2
383.07309	7.5
383.14557	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	383.17
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05920	2.7
53.03935	5.7
54.54022	2.7
55.01883	19.9
55.05511	21.8
57.03434	12.0
57.07066	3.7
57.58999	2.6
60.35912	2.9
61.02926	6.5
67.05508	20.4
68.99789	9.5
69.03432	100.0
69.07073	17.9
70.11401	3.1
70.69361	6.5
70.69718	7.1
71.04996	74.7
73.02908	5.2
75.09633	2.7
79.05490	33.8
81.02971	5.6
81.03421	77.9
81.07052	46.6
83.01362	2.9
83.04991	16.1
85.02909	50.5
85.06559	3.2
87.00827	38.3
87.04478	4.1
91.05484	57.5
93.07049	55.2
95.01334	4.8
95.04956	22.3
95.08595	20.6
97.02888	40.7
97.06551	7.8
99.04462	8.1
99.08096	13.9
103.03917	3.8
103.05460	7.4
105.01868	12.2
105.07030	81.9
107.04955	15.0
107.08593	55.3
109.02895	11.0
109.06522	22.6
109.10149	16.1
111.04452	13.3
111.08075	4.2
115.03928	10.6
115.05461	6.5
117.01849	5.5
117.07033	25.6
119.04948	13.5
119.08591	52.1
121.06509	29.2
121.10137	26.1
123.04435	9.1
123.08073	16.4
123.11705	9.9
125.09661	2.9
127.03922	13.3
127.07556	15.8
128.06207	13.6
129.01791	5.4
129.07013	18.1
130.07764	7.7
131.04933	4.3
131.08582	30.6
133.06479	17.4
133.10123	24.3
135.04427	7.8
135.08072	20.4
135.11720	22.7
137.05931	6.0
137.09639	10.4
137.13313	5.1
141.06958	4.2
142.07849	4.7
143.08560	24.0
144.09416	4.5
145.06483	10.7
145.10135	53.8
147.02885	3.6
147.08067	26.1
147.11685	22.9
149.05948	6.3
149.09631	11.9
149.13306	4.8
151.07571	8.2
151.11183	24.8
153.12854	3.2
155.08568	16.9
157.06493	7.2
157.10100	8.6
158.07298	5.6
159.02872	12.6
159.08037	15.4
159.11674	16.4
161.09624	10.4
161.13272	8.3
163.03854	15.1
163.07541	6.7
163.11217	17.3
165.12772	27.6
169.10185	7.1
171.02965	7.2
171.08127	17.0
171.11732	8.6
172.08743	3.8
173.08194	2.2
173.09630	61.9
173.13229	5.1
175.07585	17.7
175.11203	11.6
177.05502	3.7
177.09059	5.6
177.12708	23.0
179.10718	3.8
179.14349	7.0
183.08090	6.6
183.11612	3.3
185.13191	3.0
187.11172	8.2
189.03952	5.3
189.09134	12.4
189.12761	17.1
191.10703	33.4
193.08577	5.8
193.12247	7.8
197.13306	7.1
199.14771	3.3
201.03937	25.5
201.09129	11.3
201.12704	7.7
205.12193	6.7
207.10042	3.7
207.11848	3.5
207.13811	5.9
209.11725	4.2
215.14375	10.4
217.12161	5.3
219.13795	11.5
225.12790	6.8
231.05005	6.4
231.13786	4.4
233.15437	6.0
243.10178	4.2
243.13875	28.6
248.08406	3.6
261.11945	5.5
261.14871	43.2
270.02097	3.1
277.13733	3.3
279.15958	20.8
291.10461	3.5
305.08002	3.4
321.16769	3.2
347.14890	10.1
351.08597	7.0
351.12369	4.7
365.15921	18.4
383.16696	21.7
383.21707	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89933	2.4
53.03943	6.9
55.01871	13.1
55.05512	9.7
57.03431	7.4
61.02923	3.3
63.80130	2.7
65.03943	4.3
67.05512	18.1
68.99783	7.8
69.03436	51.4
69.07063	5.8
69.61352	2.3
71.04328	3.0
71.04652	4.5
71.04996	6.4
73.02916	5.6
79.05491	31.2
81.03419	22.2
81.07063	47.8
83.04974	11.3
85.02911	35.6
85.06567	2.8
87.00830	27.6
87.04440	2.5
89.95461	2.7
91.05489	37.2
93.06467	5.3
93.07053	100.0
95.04960	28.4
95.08614	42.3
97.02923	22.8
97.06523	7.8
99.04442	5.4
101.02351	3.1
103.03963	5.0
105.01848	5.6
105.07036	66.1
107.04943	6.8
107.08599	92.5
109.02879	9.7
109.06523	14.2
109.10167	11.9
111.04435	17.0
115.03936	10.5
115.05405	4.5
117.07018	11.4
119.04953	4.9
119.08583	25.8
121.06522	12.7
121.10149	36.0
123.04430	10.1
123.08084	9.2
123.11734	8.5
125.06010	5.9
127.03937	7.9
128.06226	3.6
129.01852	7.1
129.05527	2.8
129.06998	10.3
131.08566	22.2
133.06512	3.4
133.10132	30.3
135.08080	11.1
135.11716	36.8
137.05998	7.5
137.09579	3.4
137.13260	4.3
141.07054	2.6
142.07774	4.8
143.08571	11.8
145.06453	4.7
145.10153	25.9
147.08049	7.6
147.11703	30.1
149.06012	4.5
149.09599	8.4
149.13268	6.1
151.07538	3.5
151.11186	4.5
155.08583	7.5
157.10138	11.5
159.02907	7.1
159.08069	9.2
159.11668	16.6
161.09633	6.9
161.13287	5.6
163.07593	4.1
163.11198	41.8
165.07083	2.8
165.12750	25.7
167.07069	3.3
167.08554	3.4
169.10127	5.8
171.11731	7.2
173.09712	8.9
173.13297	4.3
175.11200	12.4
177.12793	12.8
180.45009	2.6
183.08095	3.7
183.11584	2.8
185.09653	4.2
187.11179	5.1
189.03970	4.9
189.12720	13.0
193.12279	9.8
197.13359	4.7
201.03984	7.5
201.09077	5.6
201.12717	9.8
203.10709	4.9
205.12219	7.1
207.11850	3.4
207.13782	6.1
215.10794	3.1
215.14316	10.5
219.13831	8.1
225.12747	10.8
231.05232	2.9
233.15411	7.4
243.13812	43.3
261.14877	68.0
279.15961	12.5
321.16907	4.1
329.13721	2.9
347.14920	18.7
365.15976	23.9
383.17316	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01854	0.8
55.05499	2.0
56.96553	1.2
57.03424	1.7
58.49520	0.5
67.05506	3.2
68.53717	0.6
69.03438	0.6
69.07076	3.0
70.06590	0.9
71.04999	1.0
71.58933	0.6
78.06018	0.5
79.05483	3.7
81.03429	0.7
81.07052	4.0
83.04964	0.6
83.08637	1.2
91.05489	2.9
93.07029	2.3
95.04978	1.5
95.08607	2.0
97.06510	2.2
99.08095	0.8
105.07037	2.5
107.04956	2.7
107.08593	2.1
109.06551	0.9
109.10146	2.1
111.04438	0.7
115.07554	1.3
116.06174	0.6
116.98626	0.8
117.07039	0.9
119.04915	0.5
119.08571	1.4
121.06477	0.7
121.10172	1.4
131.04884	1.1
133.10127	1.5
135.11700	1.4
137.06003	0.7
137.09718	0.6
141.07014	1.9
145.06451	0.8
145.10172	1.0
147.04424	0.8
147.11720	0.8
149.09593	0.6
151.07645	0.6
155.08435	0.8
157.06522	1.8
158.07240	1.1
161.05960	0.7
161.13301	1.3
165.06996	0.8
167.07030	2.3
169.06509	1.6
169.10143	0.5
170.07277	1.3
171.08083	0.6
176.06134	0.7
177.05453	0.8
178.07787	0.9
179.06970	0.8
184.29729	0.7
185.06007	0.6
186.06755	2.3
187.07558	0.6
189.07025	2.0
190.07809	1.5
191.07036	0.8
191.08543	3.8
192.09373	1.0
193.10139	0.6
194.07358	1.3
195.08099	0.9
201.09094	2.0
202.07730	3.0
203.06956	0.9
203.08598	3.4
204.09373	1.0
205.06516	2.3
205.08601	2.6
205.10278	1.2
206.07333	1.6
207.08102	1.2
208.05180	1.3
208.08681	1.0
209.09665	1.0
215.08571	2.2
217.06613	0.9
218.07254	3.9
219.08073	8.9
219.10054	1.2
220.08859	5.0
221.06052	0.7
221.09625	1.4
222.06783	1.6
223.07599	0.8
223.11147	1.1
228.09149	0.6
229.08589	6.2
230.07335	1.9
231.08054	9.3
231.10217	2.4
232.08752	3.2
233.06052	2.8
233.09544	4.5
234.06725	2.0
234.10420	1.4
235.07597	2.2
235.11163	1.7
236.08214	1.2
237.09154	2.4
243.07968	1.1
244.08806	1.7
245.06122	0.9
245.07350	0.5
245.09602	3.9
246.06709	1.9
247.07535	15.5
248.08305	13.6
249.09100	3.2
250.06264	3.1
251.06970	1.1
251.10651	0.6
253.08728	0.7
254.05830	0.8
258.06781	2.5
259.07599	4.0
260.08307	1.8
261.05493	1.5
261.09143	5.9
262.06320	1.8
262.09869	5.9
263.07025	2.5
263.10663	10.6
263.13266	0.9
264.07904	2.6
264.10846	0.7
265.08539	5.7
266.09326	0.8
267.10223	0.8
269.07996	1.9
269.10818	0.7
269.17557	0.7
272.08295	0.9
273.09012	1.0
273.18439	1.5
274.06342	1.1
275.07010	8.1
276.07782	10.0
277.05081	2.0
277.08618	7.4
277.11725	0.9
278.05734	2.3
278.09241	1.3
279.06570	2.5
279.09915	3.1
280.11029	1.1
287.07004	1.7
288.07797	0.8
289.05069	1.0
289.08673	2.5
290.06033	1.0
290.09335	7.4
291.06793	0.9
291.10123	16.0
291.19644	1.6
292.07297	5.0
292.10867	2.2
293.08035	13.5
293.11325	1.3
294.08820	2.6
295.05923	1.7
297.07822	0.7
303.06555	1.7
304.07358	2.3
305.08112	4.3
305.11743	2.4
306.05243	1.1
306.08719	1.4
307.06125	2.2
307.09659	10.5
308.10339	7.0
309.07919	1.1
309.11230	2.2
310.08298	1.4
315.08624	5.4
318.08801	2.0
319.09622	9.3
320.06818	1.8
320.10388	2.1
321.07617	6.6
321.11060	1.4
322.08289	3.6
322.12054	3.2
323.05695	1.2
323.09192	1.4
323.12717	12.9
324.09818	0.8
325.10910	2.6
326.11264	1.3
330.10968	3.9
333.11252	0.8
335.09119	3.3
336.09946	9.7
337.07004	0.5
337.10690	9.3
338.07828	3.4
339.08463	0.8
339.12119	0.8
340.13123	0.6
350.11456	3.1
351.12259	20.8
351.16449	1.3
352.13062	3.3
353.10202	12.1
365.23593	0.7
366.03125	0.7
368.12567	15.3
383.14899	100.0
384.15305	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.0
56.55465	2.0
57.03443	3.6
66.29528	1.7
69.03434	11.9
70.30634	9.0
70.30937	2.5
74.02438	2.6
75.21923	2.0
80.82861	2.0
81.03419	8.7
82.04541	2.1
85.02898	33.9
85.03741	1.8
94.06537	2.3
95.04948	1.9
97.02905	9.4
98.20788	2.3
99.04461	1.9
106.13074	1.8
109.02878	5.4
110.07198	4.0
117.05750	2.1
118.06557	8.6
127.03915	4.7
130.06519	67.3
131.99660	1.9
132.04451	18.0
132.08125	6.6
136.07565	2.2
143.07327	2.4
144.06932	3.2
144.08058	25.4
145.07605	25.0
146.06012	10.7
148.07597	3.5
149.42453	2.4
154.06516	5.5
156.08124	3.8
157.07610	60.6
158.05997	52.6
158.08023	2.6
159.09235	9.3
160.07559	3.4
169.07634	8.7
170.06015	2.3
171.09167	9.3
172.07561	9.9
174.05562	6.9
175.08667	61.2
176.07133	3.1
181.07559	5.7
182.08356	3.0
183.09198	16.4
184.07646	2.4
185.07126	10.3
186.05586	4.4
186.07791	3.5
188.07034	3.5
195.78317	2.2
198.05611	2.6
199.08615	14.4
200.06998	18.8
203.08148	100.0
204.06592	5.7
207.09204	3.3
209.07127	8.4
211.08731	2.1
213.06709	2.3
215.08202	4.3
216.09018	5.4
217.09724	32.4
221.09203	49.7
227.08153	9.9
228.06529	4.9
231.07672	5.8
245.09174	21.7
257.09329	3.4
263.10214	49.1
263.12814	3.0
299.10245	6.9
329.11331	4.0
347.12469	14.2
348.10840	9.4
365.13354	30.6
383.14386	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	383.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92383	1.3
52.12902	1.2
56.96562	3.5
57.03428	3.6
58.73667	1.4
60.04521	2.5
61.02910	4.0
69.03436	11.7
70.06604	3.2
70.12508	5.6
72.08153	2.4
73.02911	2.2
74.02451	2.4
79.05470	1.9
80.04998	1.6
80.85542	1.3
81.03429	12.9
82.02938	2.4
82.06577	5.3
83.05004	1.8
84.04495	3.2
84.08142	1.8
85.02905	29.8
86.09715	1.5
88.04015	1.3
89.03933	3.4
90.94813	1.3
91.05517	1.3
94.06566	2.3
95.06078	1.7
96.04518	1.7
97.02901	8.4
98.97581	2.4
99.04461	3.4
103.03883	1.5
107.04970	1.9
109.02887	3.4
110.06023	1.9
110.07153	11.8
117.03439	2.7
118.06540	5.8
119.22010	1.6
120.08106	2.6
127.03915	5.7
130.06529	63.9
132.04451	18.2
132.08086	4.1
134.06003	2.4
135.04437	7.4
136.06287	3.1
136.07581	8.2
138.09122	1.5
142.06554	2.1
143.00171	2.3
143.07332	2.5
144.06927	2.3
144.08075	24.7
145.02834	3.5
145.05037	1.7
145.07611	21.4
146.06004	13.0
148.07562	4.2
154.06502	4.7
156.06625	3.0
156.07951	5.5
157.07617	57.7
158.06017	45.6
158.08063	1.9
159.09174	6.4
160.07631	5.1
161.01343	2.7
162.05605	1.4
163.03906	20.1
169.07576	9.0
170.06021	2.3
170.08311	1.8
171.09160	8.1
172.07561	14.3
173.10674	1.6
174.05580	7.6
175.08665	53.7
176.07091	2.8
178.04761	1.6
181.07616	6.0
182.08282	3.9
183.09196	17.0
184.06177	1.8
184.07594	3.4
185.07106	11.0
186.05577	3.7
186.07828	3.4
187.08624	3.6
193.09723	1.9
196.07404	1.4
199.08664	10.8
200.07062	18.8
203.08156	100.0
204.06554	4.3
204.08455	1.7
206.08395	1.8
207.08969	2.3
209.07153	5.5
214.08682	1.6
215.08139	2.1
216.08943	2.8
217.09721	32.0
221.09201	47.6
222.04005	3.3
222.09549	1.9
223.08580	1.5
227.08211	11.2
228.06609	3.1
231.07607	7.0
245.09201	21.7
246.07460	1.5
252.10939	3.0
253.09654	2.0
257.09000	2.3
263.10287	39.2
267.09439	2.3
269.09344	2.4
274.10788	1.8
287.10260	1.9
299.10178	6.5
313.28760	1.8
328.21164	1.7
329.11285	3.8
347.12335	9.4
348.10782	8.2
365.13412	29.1
383.07840	2.4
383.09100	2.4
383.14459	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	382.9981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11339	0.2
54.98644	0.3
56.96562	7.7
68.83537	0.2
69.64534	1.1
71.95264	1.4
93.67513	0.2
98.97574	38.4
116.98612	52.7
119.01905	0.6
134.99648	52.8
136.00041	0.5
140.00183	0.6
153.00702	13.1
158.01279	1.6
175.57944	0.2
176.02289	0.4
177.00937	1.3
178.01065	0.7
179.00740	0.5
192.98792	0.6
216.98756	0.9
219.01999	3.2
220.02139	1.5
221.01855	0.6
225.96320	0.2
234.99847	3.4
235.97675	0.2
236.00058	1.0
236.99724	0.4
240.98604	4.5
241.98991	0.3
253.01126	0.9
255.00832	0.3
258.03317	0.4
258.99768	46.3
259.99988	3.2
260.99911	1.1
261.03070	3.0
262.03134	0.7
262.99857	0.2
263.02707	1.3
264.99088	0.7
266.98773	0.3
274.97803	0.5
277.00815	100.0
278.01001	7.7
279.00937	2.2
280.00940	0.5
282.01346	2.1
282.99942	9.8
284.00040	3.2
284.99738	2.7
285.99951	0.3
292.98987	0.4
295.01788	1.5
300.02356	4.4
300.05426	0.4
301.01016	22.1
302.01126	7.3
303.00873	6.1
304.00696	0.5
316.99063	0.6
317.99011	0.4
318.98849	0.4
319.02121	1.9
320.02158	0.5
321.01749	0.3
324.02756	0.5
341.02258	1.0
343.02414	0.2
359.01535	4.5
360.00507	0.7
377.02582	2.4
382.96158	0.5
382.99860	0.7
383.03595	1.0
400.97385	1.9
401.01553	6.6
402.01447	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1705
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
51.67879	1.6
56.96548	2.4
57.07071	3.6
67.05508	2.0
69.07066	1.9
70.02962	3.7
70.84219	2.2
70.84550	2.5
72.04506	7.0
73.02937	2.2
76.92819	1.7
85.02914	4.4
85.06538	5.5
87.08099	1.9
89.03919	4.3
90.05549	64.0
95.04964	4.4
96.08139	1.8
97.02885	3.0
98.02422	6.5
103.07589	3.0
105.60246	1.8
116.03440	6.1
117.03320	2.6
120.08099	2.4
123.04380	2.2
124.07618	10.0
133.02838	1.9
135.04407	4.2
138.05516	2.6
142.08623	6.0
145.02847	3.7
150.69348	1.5
151.47307	1.4
163.03900	26.4
179.03453	2.5
184.09685	14.4
189.00887	1.5
202.10728	20.8
207.11310	2.5
208.06097	3.4
209.86978	1.6
220.11781	100.0
267.03690	1.5
383.09515	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	382.316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.6
57.07071	24.4
67.05476	3.5
69.07043	3.7
69.56667	10.1
71.08628	40.1
73.06532	5.6
83.08587	3.3
84.08125	1.2
85.10171	22.0
87.04458	2.3
87.23923	1.2
89.06026	100.0
95.04991	1.6
95.06110	1.3
105.07005	1.3
105.12191	1.2
106.98804	1.2
107.07101	5.7
117.09129	1.4
127.14795	3.7
129.62030	1.2
130.08626	2.6
133.08591	46.6
135.10136	1.5
151.09674	4.0
171.17427	4.8
173.96896	1.2
177.11217	9.2
195.12204	2.5
215.20047	6.8
239.14931	18.6
259.22543	2.7
321.26459	1.4
333.16736	1.3
365.24429	1.6
365.28967	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52345	0.8
69.52759	3.1
94.92993	0.7
112.89581	1.9
114.79099	0.5
114.89420	0.5
154.22884	0.4
162.05046	0.4
201.01614	3.5
212.85254	0.5
219.02692	3.2
232.92290	1.3
248.89554	0.7
289.12387	0.5
290.68427	0.4
306.85645	1.0
348.82474	0.4
381.07919	100.0
382.08417	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	381.079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76382	2.1
58.83629	2.2
70.53661	4.7
70.54028	5.9
84.60863	1.9
99.56076	2.3
201.01581	5.1
219.02563	5.4
294.12753	2.6
381.07913	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.8
57.03409	4.2
57.07064	6.5
67.05506	18.3
69.03411	6.6
69.07060	14.4
71.05003	5.1
71.08632	7.4
71.60059	7.8
79.05487	16.5
81.07055	21.2
84.00938	3.6
85.06543	4.1
91.05477	14.0
93.07031	24.3
95.04955	20.3
95.06104	7.4
95.08604	19.1
97.06535	6.5
105.07045	12.1
106.98945	4.2
107.08617	21.2
109.06525	34.8
113.07167	4.7
119.08582	10.8
121.06500	17.8
121.10123	12.7
123.08071	7.1
131.08546	13.9
133.10149	9.2
135.08070	8.9
145.10078	8.5
147.11620	4.8
149.09573	5.2
158.37033	3.8
159.11653	6.9
163.11194	14.1
165.12747	81.8
181.80269	3.7
191.14272	20.4
212.31931	4.1
261.22125	15.9
289.21600	100.0
307.22641	11.2
311.24817	4.2
358.01004	3.8
380.89835	4.0
381.26440	47.7
382.26749	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	379.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19775	0.5
55.05515	3.2
57.03430	0.5
57.07073	35.6
59.04996	0.8
67.05496	1.7
69.07059	6.3
70.12232	2.7
71.08628	32.0
72.04777	0.5
73.06548	6.0
76.16794	0.5
79.05498	1.2
81.07055	2.9
83.08619	4.4
85.10178	26.4
87.04467	2.0
89.06026	100.0
90.06350	0.8
91.05493	1.4
91.07626	0.6
93.07047	3.2
95.08615	2.3
97.10143	1.7
98.20798	0.6
98.98463	1.8
99.11724	3.2
101.09657	2.5
105.07008	1.5
105.36708	0.6
107.07061	7.0
107.08580	4.1
109.06509	1.3
109.10143	1.0
111.08110	0.6
113.00024	0.7
114.09170	0.5
117.09130	1.6
119.08612	0.5
121.06572	0.6
121.10119	1.3
123.08073	0.8
130.08655	3.0
133.08597	37.7
135.08044	3.1
135.11673	1.0
139.07596	0.9
141.16368	3.4
149.02432	0.6
149.13231	1.0
151.09663	3.2
151.10837	0.5
152.08401	0.7
155.01045	3.0
163.11223	0.6
165.09097	2.9
169.02615	1.0
177.11253	7.0
177.12701	1.0
179.14369	0.7
181.15913	0.8
185.19023	2.1
191.14394	1.1
195.12321	2.0
209.15405	2.6
229.21681	1.5
239.14896	7.2
347.25809	13.5
348.26105	1.0
379.28021	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.1
55.01853	4.4
55.05505	9.7
56.96552	5.4
58.15897	3.3
59.04971	3.4
64.65421	3.0
67.05497	19.6
68.99785	3.6
69.03433	44.4
69.07048	11.6
69.36545	30.7
71.04984	5.3
73.02911	3.4
75.08505	3.1
75.15826	3.1
79.05489	12.3
81.03419	19.0
81.06732	2.6
81.07057	28.5
83.04978	5.5
85.02920	26.0
87.00807	7.4
91.05468	19.6
93.07030	24.7
95.04955	15.2
95.08616	33.2
97.02889	12.5
97.06541	6.9
99.04453	6.3
99.44499	3.2
105.07027	43.2
107.04955	8.8
107.08588	100.0
108.08907	3.3
109.02876	6.7
109.06499	12.5
109.10142	19.0
111.04446	8.5
115.03955	3.5
117.02831	2.9
117.07045	10.9
119.08580	42.0
121.06495	9.5
121.10142	40.3
123.04398	5.7
123.08056	6.1
123.11689	6.9
127.03928	8.6
129.01802	3.1
129.07007	5.9
131.08557	15.1
133.06543	4.1
133.10126	21.9
135.04427	4.6
135.08038	4.7
135.11734	8.2
137.05960	9.1
137.09583	9.3
142.07863	3.6
143.08539	13.3
145.10133	18.3
147.08025	5.4
147.11696	15.5
149.05899	4.9
149.09595	6.0
149.13252	22.9
152.07053	5.6
153.05510	3.3
155.08566	4.9
156.09357	3.9
157.10135	10.3
159.11687	30.0
159.12892	4.8
161.09610	6.2
161.13220	17.5
163.07504	3.7
165.12717	4.2
169.10152	5.5
171.11679	9.8
173.09666	6.4
173.13252	9.7
175.11166	4.7
175.14870	5.1
177.12752	25.9
179.14297	6.0
182.12541	5.7
185.13210	6.7
187.11162	5.6
189.12703	12.4
191.14246	4.4
193.12230	4.4
194.08241	4.3
197.09682	6.6
199.11182	4.9
199.14911	3.9
201.12762	5.1
203.17821	3.5
207.06607	5.4
207.13725	6.6
211.14850	3.9
213.12737	4.1
215.10838	3.6
215.14177	3.7
229.15855	7.0
239.14276	10.0
245.15036	4.1
257.15329	27.8
275.16373	45.9
292.07605	3.3
306.86581	3.1
335.19012	4.2
361.16440	26.9
361.23569	6.7
379.17542	17.3
379.24429	15.1
379.29132	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	379.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25553	0.9
62.09884	1.1
62.23332	0.9
70.06567	1.0
70.53992	1.7
70.54353	3.6
85.02872	1.0
86.09708	2.4
91.05475	8.8
91.09828	0.9
271.04266	2.6
293.09927	3.6
299.81091	1.2
311.09833	1.7
335.10980	30.0
379.09964	100.0
380.10251	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	379.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	1.5
53.03939	3.5
53.76303	1.7
55.01857	4.2
55.05502	8.9
56.96554	2.7
57.03428	1.9
57.07058	2.3
61.02915	2.8
64.41634	1.7
65.03924	3.2
67.05497	13.3
68.99778	4.5
69.03072	3.5
69.03426	45.3
69.07054	9.5
69.31727	19.7
70.06594	2.0
71.04977	3.9
75.30125	1.8
75.67343	1.7
79.05490	12.5
81.03411	18.3
81.07053	17.6
83.04974	8.1
85.02894	19.2
87.00818	6.9
91.05470	22.9
93.07032	30.0
95.04963	12.4
95.08601	19.0
97.02881	11.9
97.06518	3.1
99.04438	4.2
100.11257	4.4
105.07024	41.3
107.04942	6.5
107.08589	100.0
109.02863	6.3
109.06526	9.6
109.10153	16.6
111.04431	6.4
111.08083	2.6
115.03957	3.1
117.07001	6.4
119.04906	2.0
119.08570	41.4
121.06499	9.8
121.10139	40.8
123.04404	4.4
123.08051	4.0
123.11662	4.0
127.03918	6.5
128.06239	2.2
129.07001	4.8
131.08556	21.2
133.06473	4.0
133.10109	18.7
133.76465	1.8
135.04391	3.1
135.08040	8.0
135.11687	7.9
137.05975	4.6
137.09639	4.4
142.07761	2.6
142.15923	4.9
143.08530	13.0
144.09290	2.9
145.06491	7.4
145.10115	20.1
147.08054	5.9
147.11681	22.2
149.05972	3.7
149.09619	3.7
149.13260	25.8
151.07460	2.4
153.06944	2.4
155.08565	6.1
156.09317	4.0
157.10139	11.0
159.02945	2.9
159.08069	6.0
159.11687	25.8
161.09634	4.0
161.13254	20.1
161.20215	2.0
163.03850	1.8
163.07584	2.3
163.11211	3.8
163.14760	2.6
167.06985	2.9
168.09253	2.0
169.10136	5.7
171.11653	11.3
173.09598	5.7
173.13261	11.3
175.07544	2.8
175.11200	4.3
177.12720	25.7
179.08620	2.2
179.14304	5.3
183.11768	3.9
185.09596	2.0
185.13251	4.8
185.14911	1.7
187.11243	4.5
187.14894	2.3
189.03902	2.2
189.12788	13.5
191.14404	4.2
194.44073	2.1
197.09607	3.2
197.13252	4.1
199.11084	3.6
201.09116	2.9
201.12770	4.5
203.14320	5.0
207.13765	9.4
211.11194	2.3
211.14861	4.0
213.12836	2.1
215.10788	2.3
215.14323	3.8
217.12312	2.2
219.13747	2.2
221.13393	2.2
226.02086	2.2
229.15909	7.9
239.14343	5.3
245.15463	2.4
247.16864	3.0
257.15363	29.2
275.16397	44.1
293.17447	2.4
301.87729	1.7
323.29868	1.9
341.00253	1.7
343.15387	2.6
361.16470	25.4
379.17587	24.9
379.25037	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	379.1
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
55.05496	1.8
55.47988	0.8
56.96563	1.7
57.03413	1.5
60.18228	1.0
64.82907	0.9
65.03925	1.7
65.36446	0.8
65.80515	0.9
67.05506	1.2
69.03408	2.5
69.07101	0.9
70.06584	7.7
71.11488	2.6
72.08145	2.5
79.05508	1.5
81.03410	2.0
81.07028	2.1
83.04970	1.8
84.04481	2.8
84.08134	2.9
84.60858	0.8
85.02898	2.5
86.09711	5.2
91.05474	15.5
91.85965	0.8
93.07063	1.1
95.04969	1.4
95.08584	1.9
97.02856	1.4
102.05486	0.9
105.07029	3.2
107.04961	1.3
107.08613	1.3
110.07141	1.7
113.09631	1.7
116.07092	1.8
117.07009	1.4
117.50111	0.9
119.04924	4.6
119.08602	1.3
120.08100	3.5
121.10120	1.3
123.04448	1.9
127.00089	2.6
129.10281	2.1
130.05000	1.1
131.04922	1.1
131.08559	1.9
133.10065	1.2
143.08612	1.3
145.10127	1.1
146.31129	1.0
147.04408	11.1
179.06999	1.3
181.04958	6.5
187.10873	1.4
188.07039	1.6
189.09084	2.8
207.06519	3.8
217.04660	1.0
227.05203	1.1
231.09058	1.7
233.11746	3.0
237.02872	1.1
244.09479	2.5
269.07983	2.5
271.04401	1.8
275.08890	8.6
293.09882	4.8
333.13351	1.0
335.10986	11.7
361.17734	1.2
379.09973	100.0
380.10291	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	378.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71913	1.0
55.01867	2.3
55.05499	1.9
56.05022	1.7
57.07091	1.1
60.04506	1.6
69.03410	1.8
69.07049	1.2
69.41203	11.3
70.06586	7.1
71.06062	1.4
71.08624	16.6
72.04510	6.0
73.02889	3.3
74.02078	1.6
74.02435	17.2
74.45269	1.1
79.05453	2.8
81.07047	2.0
81.99473	1.0
82.02927	25.8
82.06575	1.3
83.01321	2.8
83.04909	1.2
84.04494	4.1
84.08099	2.3
84.53191	1.0
85.02895	3.2
86.09694	8.0
86.44346	1.4
88.11259	69.1
91.05462	2.0
93.07033	2.9
95.04974	2.2
96.04485	12.0
97.21603	1.2
98.21446	2.1
99.05550	4.3
100.03973	8.2
101.02318	1.7
102.66099	1.2
103.39854	1.3
105.06915	1.8
107.04961	1.9
107.08578	2.9
107.12656	1.1
108.04433	2.6
110.07158	1.9
118.05020	6.4
120.04424	2.1
121.06459	1.4
122.05939	1.4
126.05524	1.5
128.03398	3.5
129.10188	1.4
130.03207	2.1
135.11708	1.4
136.03876	1.5
138.05504	3.0
141.13861	3.9
145.10107	1.8
146.04475	31.5
148.03929	1.5
152.10725	6.0
163.11124	2.3
166.04953	3.3
169.13345	100.0
170.11707	1.6
170.13652	1.4
176.07053	1.2
181.06029	1.8
187.14398	5.9
198.11252	4.5
206.15408	13.3
211.04865	1.2
215.13889	42.5
216.12305	53.5
216.14006	1.9
227.06575	3.5
233.14937	84.3
241.15430	1.2
251.13770	1.6
269.14951	5.0
273.07092	9.3
279.13306	2.2
297.14435	13.6
303.04965	1.8
315.15372	6.1
342.16504	3.3
360.17181	5.9
378.18848	5.9
379.10150	1.3
379.28305	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.9
56.96563	1.5
57.07072	71.4
64.38783	1.5
67.05492	2.9
69.07047	4.6
70.67307	3.7
71.08629	67.0
73.06529	2.6
81.07058	3.0
81.72795	1.5
82.95935	1.4
83.08614	2.5
85.10177	37.1
89.06026	100.0
91.05455	2.2
93.07048	2.4
95.08595	3.4
97.10162	3.3
99.11729	6.2
107.07076	9.3
109.10138	2.2
111.11751	2.4
113.13258	1.9
130.08606	2.9
133.08600	40.2
151.09691	5.2
167.49461	1.8
177.11172	8.9
190.74609	1.7
195.12277	39.0
262.71622	1.6
298.14310	1.7
336.21948	2.7
377.32571	5.7
378.23248	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	377.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13216	1.5
51.71967	1.4
53.03936	2.2
55.01844	2.0
56.05023	2.1
58.06581	2.1
60.04523	1.8
64.13225	1.8
67.07289	1.4
68.05018	6.1
69.03427	22.8
69.53682	5.6
69.54106	7.1
70.06586	4.0
72.04499	6.3
74.02438	21.6
80.04978	2.3
81.03416	32.6
82.02936	7.6
83.01334	3.2
84.04502	10.8
84.08128	4.0
88.03996	16.5
91.33212	1.6
96.04485	5.5
98.06052	4.7
98.21494	2.3
99.04471	19.9
99.05573	28.9
100.03974	12.0
101.02421	2.8
102.05532	5.2
110.06104	1.6
111.05553	5.5
114.05505	7.3
116.07087	3.1
117.06602	4.0
118.05019	18.4
119.45656	1.6
124.03951	5.7
128.03447	1.6
130.05003	28.2
141.06589	11.1
142.05020	13.1
145.06062	12.5
146.04480	100.0
157.06044	16.0
158.04488	5.8
163.03972	7.6
163.07140	69.9
163.08542	2.4
175.07152	52.9
185.02145	1.9
187.07106	5.2
188.05490	8.1
205.08208	15.3
215.05310	4.5
221.02896	2.8
221.59860	1.6
226.07074	12.6
243.09758	19.3
244.08228	2.8
261.10764	5.8
279.11807	5.4
377.08295	25.6
378.08698	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.9
54.03468	1.4
55.01859	1.4
55.05496	2.2
56.05019	2.4
58.06582	3.3
60.04518	4.3
62.79810	1.1
68.05015	5.1
69.03429	25.9
69.61349	4.7
69.61777	4.2
70.02947	3.0
70.06580	4.5
72.04510	7.7
72.08148	1.3
73.02902	3.7
74.02440	27.8
79.05469	1.8
80.05002	3.8
81.03413	28.8
82.02934	7.6
82.03342	1.4
82.06567	2.7
83.01324	4.0
83.04974	2.2
84.04498	9.0
84.08156	1.9
85.02864	1.4
86.06049	1.8
88.03995	14.0
91.05534	1.4
94.06558	2.3
95.48863	1.1
96.04500	10.5
98.06042	6.5
98.70348	1.1
98.97581	1.6
99.04463	17.0
99.05563	27.8
100.03982	15.8
101.02379	3.2
102.05531	7.2
105.07008	1.5
108.04501	2.3
110.06037	2.4
111.05544	4.6
114.05539	11.1
116.03442	3.9
116.07079	3.1
116.98590	1.3
117.06606	3.4
118.05020	19.0
120.04498	1.6
124.03950	6.7
126.05453	1.3
128.03407	2.4
129.10155	1.1
129.86678	1.2
130.05005	12.1
141.06586	15.5
142.04997	20.9
145.06067	10.3
146.04478	100.0
157.06075	9.4
158.04506	5.4
163.07140	66.6
163.08527	2.5
172.84473	1.3
175.07137	27.5
184.68468	1.3
187.07115	7.5
188.05544	7.8
196.09601	1.7
197.09306	3.1
198.07738	1.8
205.08200	18.5
214.10721	2.2
215.10280	2.3
225.08621	2.1
226.07034	10.4
243.09776	23.3
244.08109	6.6
259.06610	1.5
261.10806	10.1
279.11877	10.5
335.08099	1.6
359.14255	1.3
376.67487	1.4
377.15457	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	377.1455
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
51.62734	0.6
53.03948	1.7
53.08611	0.7
55.01854	1.1
55.09088	0.6
56.41283	0.7
57.03437	6.5
59.04996	0.8
59.94370	0.6
61.02916	2.6
64.92020	0.6
69.03085	0.7
69.03429	10.6
70.06590	0.7
71.01361	3.3
71.04984	2.7
71.35201	1.3
73.02913	1.9
75.04478	2.5
81.03415	3.1
86.09686	0.9
99.04445	4.9
110.07093	0.9
117.05495	0.9
132.95950	0.8
145.07642	2.1
146.52928	0.6
157.06396	0.7
158.97351	1.1
170.07207	0.8
172.08691	25.7
190.09782	1.4
198.06677	5.5
200.08153	3.9
216.07657	14.3
218.09279	1.1
234.98979	1.3
243.08766	65.4
244.07014	1.3
244.09267	0.8
269.32037	0.6
320.04562	0.7
359.13559	3.8
359.18076	0.6
377.14539	100.0
378.14798	2.4
379.81650	0.8
400.27554	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13216	1.5
51.71967	1.4
53.03936	2.2
55.01844	2.0
56.05023	2.1
58.06581	2.1
60.04523	1.8
64.13225	1.8
67.07289	1.4
68.05018	6.1
69.03427	22.8
69.53682	5.6
69.54106	7.1
70.06586	4.0
72.04499	6.3
74.02438	21.6
80.04978	2.3
81.03416	32.6
82.02936	7.6
83.01334	3.2
84.04502	10.8
84.08128	4.0
88.03996	16.5
91.33212	1.6
96.04485	5.5
98.06052	4.7
98.21494	2.3
99.04471	19.9
99.05573	28.9
100.03974	12.0
101.02421	2.8
102.05532	5.2
110.06104	1.6
111.05553	5.5
114.05505	7.3
116.07087	3.1
117.06602	4.0
118.05019	18.4
119.45656	1.6
124.03951	5.7
128.03447	1.6
130.05003	28.2
141.06589	11.1
142.05020	13.1
145.06062	12.5
146.04480	100.0
157.06044	16.0
158.04488	5.8
163.03972	7.6
163.07140	69.9
163.08542	2.4
175.07152	52.9
185.02145	1.9
187.07106	5.2
188.05490	8.1
205.08208	15.3
215.05310	4.5
221.02896	2.8
221.59860	1.6
226.07074	12.6
243.09758	19.3
244.08228	2.8
261.10764	5.8
279.11807	5.4
377.08295	25.6
378.08698	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17792	1.7
52.51703	1.6
55.05515	27.7
56.96569	4.2
57.03428	2.3
57.07069	2.4
60.05648	2.6
63.09840	1.7
67.05162	1.7
67.05507	5.5
69.03416	4.6
69.07057	6.7
69.41029	14.0
69.41443	4.3
70.02959	10.1
70.06574	4.5
73.17271	2.0
74.02434	6.2
74.08321	1.9
78.59785	1.8
79.05486	4.7
81.03414	4.6
81.07043	13.5
82.06587	4.7
83.04979	17.4
83.08598	10.2
84.08141	2.5
85.02921	3.3
86.09714	2.1
87.02679	1.9
88.03986	64.8
91.05477	7.6
93.05779	28.3
93.07050	7.6
94.06563	45.2
95.04967	5.8
95.08607	6.0
97.02869	1.9
97.06503	3.0
97.10154	2.4
98.21609	2.0
99.00817	7.7
100.07627	3.5
100.11252	46.7
100.11874	3.4
104.03470	6.2
105.07037	6.8
106.06551	15.8
107.08606	5.3
109.02897	3.3
109.10168	2.8
111.04453	7.5
116.03430	3.0
116.07122	2.3
117.05757	3.6
117.07018	2.8
118.06588	2.2
119.04939	3.0
119.08585	4.5
120.04508	3.5
120.08128	3.6
121.10124	3.9
127.03937	2.8
128.07097	5.6
130.05042	5.2
130.06525	6.1
131.08595	3.1
132.04469	4.4
132.08043	2.4
133.10152	3.6
134.06012	2.8
135.08058	2.9
135.11780	2.6
137.05952	2.3
141.11470	5.6
143.07307	11.9
143.08394	2.2
145.10121	5.5
146.06009	70.6
147.11697	3.8
149.07494	2.4
156.02951	3.5
156.08102	5.9
158.04485	6.8
158.06052	2.8
158.09650	77.9
159.08296	2.6
159.11670	3.0
163.64363	3.4
167.07294	3.6
171.11723	2.1
174.03983	6.4
174.05513	15.0
174.09125	3.4
175.03961	3.5
176.10701	100.0
182.09660	3.5
182.15421	19.1
184.07643	2.9
195.06807	7.5
196.07527	3.0
199.18082	3.4
200.10779	2.2
202.03473	6.8
202.08612	6.1
204.66516	2.4
207.06534	2.7
209.16490	7.7
210.09175	10.3
210.14877	19.1
211.09879	19.7
212.10779	3.1
213.17857	6.6
214.08614	5.2
221.02745	2.0
223.06352	2.9
226.19141	3.9
227.17546	10.3
228.10184	29.4
229.10905	2.1
229.13698	3.7
238.08565	11.6
247.14758	4.6
256.09711	32.3
260.21176	2.1
268.21378	3.8
274.10739	46.0
276.72861	2.7
291.13501	1.9
315.13391	3.0
326.28064	6.0
335.59860	1.9
336.22995	3.5
343.30908	9.5
359.19797	4.3
377.13614	6.8
377.20361	5.8
377.29184	5.2
398.32513	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	377.084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46183	0.7
69.03422	0.8
69.33683	0.6
70.23150	2.9
75.13039	0.6
81.03414	1.3
84.08128	1.1
84.25372	0.7
99.05560	1.1
110.27741	0.7
117.03335	1.1
135.04417	2.2
145.02756	1.4
146.04482	3.4
157.06102	0.8
163.03908	9.0
163.07138	1.9
175.07248	0.8
179.03195	1.4
179.98499	0.6
185.02061	5.5
197.04160	3.4
205.08163	0.9
215.05275	11.5
221.02951	2.8
249.02879	0.9
267.27841	0.7
279.11905	0.9
335.08395	0.7
359.07346	4.9
377.08389	100.0
378.08676	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00718	0.4
53.50691	0.4
55.01897	0.5
55.05513	0.5
56.05028	1.4
56.96554	1.7
61.01157	0.6
67.05511	0.7
69.03417	0.7
69.07050	1.4
70.06583	4.0
71.04992	0.5
71.05851	1.2
72.08150	1.2
72.93781	0.9
74.06071	0.7
79.05507	0.6
81.03398	1.5
82.02932	1.8
82.06568	0.5
83.04984	0.6
84.04499	1.9
84.08141	2.6
85.02892	1.3
86.09711	9.1
87.05572	0.4
88.03980	1.1
89.03905	0.7
90.94835	1.0
91.05498	1.1
96.04471	1.6
96.08160	0.6
97.02913	1.2
98.09702	0.6
98.97594	0.6
100.03979	0.8
100.07647	0.5
101.02355	0.5
104.05325	0.8
105.07027	0.7
108.08121	0.4
110.07160	0.7
112.07596	0.7
115.08804	0.5
117.03394	0.8
119.04929	0.4
120.08095	1.9
122.09681	1.9
127.03911	0.6
129.10307	0.7
130.04990	1.5
130.06497	0.8
132.95851	2.2
135.04399	2.2
143.11792	1.0
144.95758	0.5
145.02853	1.7
145.09793	0.7
146.06129	0.5
147.04401	0.7
149.06032	0.5
150.09120	0.6
150.96906	1.7
153.06638	0.7
158.04509	1.2
158.97374	1.0
161.01237	0.9
162.96930	0.5
163.03911	6.9
170.09230	1.1
173.09271	1.0
174.96916	1.4
176.98503	1.1
179.03183	0.8
185.02100	2.8
186.96886	0.8
188.07039	1.1
197.04213	2.2
200.05498	0.8
203.03157	1.7
204.97823	0.5
205.09712	0.8
213.04260	0.7
214.10779	3.1
215.05258	10.0
216.97990	1.2
218.09616	1.0
221.03062	1.0
225.12294	0.6
227.08572	2.5
228.05032	0.5
234.98994	3.9
239.02373	0.6
252.99974	0.8
255.04063	0.6
255.37726	0.5
257.03293	0.5
260.96927	0.4
274.05627	1.0
291.05518	1.1
301.11395	0.5
309.06339	1.5
313.13989	1.3
331.08102	2.2
359.07407	12.5
359.11972	0.5
377.08414	100.0
378.08807	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	376.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03469	0.6
55.01868	1.5
55.05507	1.1
56.05039	3.2
56.96563	1.0
57.03440	0.6
57.07059	0.7
60.04516	1.2
63.26940	0.5
67.05492	1.5
69.03421	1.8
69.06718	0.9
69.07064	12.1
70.02969	0.8
70.06591	10.2
70.70735	0.5
70.72076	1.7
72.04517	5.7
72.08144	3.3
73.02894	0.9
74.02438	19.2
79.05480	1.7
80.04964	0.7
81.03419	0.7
81.07029	1.1
82.02936	8.1
82.06587	1.7
83.01338	1.5
83.06090	1.3
84.04497	5.8
84.08141	10.5
85.02905	2.6
85.08919	4.4
86.09701	100.0
87.10030	1.4
88.03963	0.7
91.05482	4.9
93.07043	0.9
94.06578	1.6
95.04938	0.9
95.08616	0.8
96.04496	1.9
96.08128	1.9
97.02902	0.5
98.06077	0.7
98.09711	0.6
98.97592	1.3
99.05575	8.2
100.03977	5.8
104.05322	1.2
105.07023	1.5
106.37119	0.7
107.04955	0.8
107.07355	1.2
107.08588	3.8
108.04468	1.6
108.08134	0.7
110.02421	0.6
110.06048	1.2
110.07178	1.7
110.09701	0.7
111.05568	1.1
112.11305	0.6
116.07095	0.6
116.98627	0.9
118.05010	7.2
118.71122	0.5
119.04942	0.7
120.04475	0.9
120.08114	2.6
121.08898	0.6
122.06044	0.8
122.09660	14.6
124.07571	4.6
124.11188	0.7
125.07102	0.6
126.05482	1.3
127.03863	0.8
128.03450	0.8
129.10207	0.7
130.04993	1.1
130.19720	0.5
131.08560	0.8
132.08029	0.7
133.06552	0.6
134.99640	0.7
136.03975	2.2
136.07568	0.9
137.05998	1.1
138.05463	1.5
139.12283	4.4
140.03445	0.7
140.10698	2.4
141.01152	0.5
143.11813	0.7
145.06061	2.9
146.04485	11.1
146.05736	0.7
147.76514	0.5
148.06020	0.6
150.09132	12.9
153.06651	0.7
154.05009	1.5
162.06696	0.8
163.07166	1.3
164.03499	0.6
165.10168	0.6
166.05002	0.8
166.08704	0.7
167.11798	20.9
168.10219	1.9
169.13297	0.6
171.07602	1.0
172.06100	1.1
178.58296	0.7
179.06955	0.5
181.06145	1.9
182.04500	1.1
183.72638	0.5
185.12811	4.6
189.41911	0.6
196.09692	3.8
199.07210	1.4
200.05545	1.0
209.05609	1.2
211.13200	0.9
213.12326	21.0
214.10725	26.6
214.14331	1.3
215.11024	0.6
218.09587	0.8
227.06682	3.4
227.08505	3.8
231.13387	45.6
232.08778	0.6
232.13821	0.7
237.02850	1.1
245.07596	1.1
249.12341	1.0
250.14449	1.3
267.13452	2.4
273.07108	4.6
277.11899	1.2
291.08304	1.6
295.12839	7.4
313.13968	3.6
340.15265	2.4
358.16019	6.1
361.14203	0.8
376.12823	0.8
376.17203	6.6
376.21152	1.3
377.13693	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14354	1.1
69.03407	1.3
69.68559	1.3
69.68970	5.8
84.08158	5.2
89.03912	3.0
92.44334	1.0
98.20823	1.5
117.03369	3.9
130.04971	1.0
135.04399	7.9
145.00972	1.1
145.02870	5.4
146.04469	3.2
158.69930	1.0
163.03893	35.7
172.09668	2.6
179.03149	2.8
185.02077	20.1
185.03619	1.7
197.04199	9.5
200.09126	2.2
203.03194	1.3
211.44920	1.2
215.05243	44.7
217.11761	4.9
221.02931	1.5
241.11876	1.4
287.20099	1.0
359.07343	9.9
377.08398	100.0
378.08691	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.5
55.05508	2.9
55.12465	0.5
57.07074	3.8
63.13825	0.4
67.05507	1.7
69.07060	2.1
71.08636	2.5
74.52331	0.4
80.34297	0.4
81.07047	0.5
83.08616	1.5
85.10165	1.0
95.04952	2.4
98.20798	1.4
111.04437	0.4
121.06527	1.4
123.04425	100.0
124.04759	1.6
137.05974	2.3
165.09016	0.7
313.99524	0.5
345.67828	0.4
363.29178	0.5
375.16446	1.9
375.32565	15.6
376.32721	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2286
Annotation	Glu Ile Ile
Peak:m/z	Relative Intensity
54.19910	0.4
55.01873	0.4
55.05503	0.6
56.05026	1.8
56.96554	1.3
57.03446	0.4
67.05505	0.8
69.03430	0.8
69.07069	8.1
70.06586	1.9
70.85367	0.4
71.10910	0.8
71.11221	0.4
72.08157	0.9
72.61533	0.4
72.83826	0.4
79.05502	0.6
81.03419	1.5
81.07060	0.8
83.04945	0.7
83.06091	0.5
84.04503	29.9
84.06435	0.4
84.08142	1.4
85.02898	1.9
85.04873	0.4
86.09704	100.0
87.10030	2.7
91.05476	2.9
93.07054	0.7
95.04966	0.5
95.08630	0.5
96.04529	0.6
97.02900	1.6
98.97582	0.9
101.07161	0.5
102.05538	13.3
103.05472	0.4
105.01859	0.3
105.07020	0.5
107.04952	0.4
109.06427	0.4
109.10179	0.4
114.05536	0.7
116.07093	0.6
116.98634	0.9
120.08151	0.7
121.10112	0.5
129.06604	13.5
129.10262	0.7
130.05009	0.9
131.11830	0.5
132.10202	33.6
133.10472	0.5
135.04434	0.5
136.07555	0.6
137.05981	0.4
141.06604	0.9
143.11781	0.4
145.04953	0.5
146.04446	0.5
152.10712	1.5
158.99492	0.4
163.03900	0.9
170.11761	6.4
170.13120	0.5
197.12848	23.1
199.18132	0.9
212.16591	0.5
215.13902	37.0
216.14226	0.7
225.12320	7.0
225.14348	0.7
231.05025	0.4
242.15047	0.6
243.13371	7.3
243.15350	0.7
244.13676	0.5
245.18710	1.8
296.15369	0.4
306.09399	0.5
309.79370	0.4
312.18430	0.4
374.14966	2.3
385.93875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.238
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
50.86369	1.0
53.03955	4.1
55.01877	8.0
55.05511	22.1
56.96574	1.3
57.03443	9.2
57.07078	5.9
59.05004	3.5
61.02921	9.8
61.03157	0.8
62.21972	0.9
63.57156	0.9
65.03957	1.2
67.05504	12.4
69.03430	35.5
69.07069	48.8
69.68296	5.9
70.06601	3.6
71.04996	12.5
71.08634	1.5
72.08165	1.3
73.02921	4.8
75.12981	0.9
79.05489	6.8
80.06298	0.9
81.03419	16.4
81.07054	31.3
82.06605	1.4
83.01358	1.2
83.04985	13.0
83.08625	12.2
84.08161	1.2
85.02907	85.2
85.06548	21.7
85.10209	1.3
86.09730	3.0
87.04470	5.2
91.03957	5.2
91.05473	8.0
93.07048	16.7
95.04986	3.0
95.08605	43.7
97.02895	25.5
97.03503	1.4
97.06518	4.8
97.10166	12.6
99.04446	5.8
99.08096	24.0
103.05530	1.5
105.07011	4.6
107.04971	3.1
107.08597	27.5
109.02879	10.4
109.06590	1.8
109.10159	17.6
111.04453	1.7
111.08082	4.3
111.11720	8.6
113.09637	9.0
115.03957	1.5
115.05426	1.2
117.07040	1.5
119.08600	1.9
120.08140	1.2
121.06557	1.7
121.10145	36.0
123.04486	2.0
123.08093	1.2
123.11713	9.9
125.09633	7.8
125.13284	2.0
127.03914	20.1
127.04774	1.7
127.11195	1.7
129.10303	0.9
129.12764	1.3
131.04979	1.5
131.08627	1.2
132.08174	1.2
133.02864	1.3
133.10181	1.4
135.08090	0.9
135.11691	18.4
137.05959	5.0
137.13260	22.5
137.14214	1.4
139.11182	9.6
145.02942	1.4
145.04971	13.3
145.10178	2.2
147.04417	1.3
147.11766	1.0
148.03986	2.0
149.13268	4.3
151.03957	1.7
151.07581	1.5
151.14828	5.8
153.12750	12.9
159.11757	1.6
161.06082	1.9
163.07521	1.6
167.07118	4.3
169.15973	0.9
173.06038	1.1
175.14870	1.9
177.05487	2.2
177.16388	100.0
178.16772	2.0
179.03517	1.7
179.07153	1.0
185.06009	1.0
191.03397	56.0
192.03824	2.5
195.17451	44.7
197.06090	1.0
200.09448	0.9
205.04967	29.5
206.05406	1.3
213.18501	50.7
214.18886	1.1
217.05124	2.8
218.05835	2.0
227.08264	1.2
247.09657	42.0
248.10097	1.9
255.07742	2.5
267.10477	1.0
270.53903	0.9
315.09879	2.8
319.08078	15.8
333.09729	7.5
335.42874	1.1
357.13522	1.9
375.14590	37.0
375.18353	1.7
375.23737	6.8
376.14786	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	375.2892
Annotation	15-HTPE
Peak:m/z	Relative Intensity
53.03938	4.6
53.62896	0.9
55.01870	4.3
55.05511	23.0
57.03435	4.9
57.07066	4.0
59.04985	1.1
65.03922	3.7
67.05503	72.4
69.03426	2.1
69.07066	22.4
70.06590	2.9
71.04987	7.5
73.71439	1.0
79.05491	49.7
81.03423	3.0
81.07057	100.0
83.04971	7.9
83.08617	14.6
85.06540	5.9
88.07608	2.8
91.04897	1.4
91.05480	43.7
93.07040	50.9
95.04974	8.6
95.08604	75.2
97.06535	13.5
97.10160	3.9
99.08096	7.8
102.09214	2.5
105.07027	36.1
107.04967	4.6
107.08589	24.4
109.06543	5.6
109.10164	14.8
111.08122	6.5
112.21881	0.9
113.09612	6.4
117.07021	9.1
119.08576	38.5
121.06512	3.8
121.10144	22.6
123.08065	7.2
123.11690	3.3
125.09661	1.6
128.06221	1.2
129.06995	4.9
130.07796	1.0
131.08560	14.9
133.10123	29.6
135.08029	4.6
135.11676	16.0
137.09633	4.8
137.13298	2.8
139.11040	1.2
143.08562	4.6
145.10120	16.9
147.08026	1.6
147.11694	5.9
149.09605	3.4
149.13261	4.9
151.11136	1.4
157.10138	4.2
159.11725	12.8
161.09612	1.1
161.13249	35.2
163.11157	7.0
163.14873	2.1
169.10153	2.1
171.11713	5.5
172.95203	1.5
173.13303	5.2
175.11212	1.0
175.14816	2.1
177.12738	4.0
177.16356	1.7
179.14310	33.6
181.12189	1.4
183.11748	2.0
185.13249	3.6
187.11171	1.6
187.14819	3.9
189.12802	1.6
189.16428	1.8
191.14397	1.2
191.46924	1.1
197.13257	1.5
197.15331	1.2
199.14766	2.6
201.12750	1.2
201.16414	1.4
205.12189	1.9
207.13797	2.3
211.14787	1.1
213.16414	1.3
215.14217	1.4
219.13855	1.5
221.15341	1.3
227.17998	1.5
231.17494	3.1
239.17874	1.4
245.19063	2.0
249.18344	1.5
259.20581	1.8
261.18628	2.1
263.20154	3.3
273.22217	2.0
312.32617	1.1
313.32928	4.4
321.25754	2.4
329.28284	1.5
339.26801	8.9
344.28607	0.9
357.27884	30.6
375.25073	2.6
375.29013	31.3
375.36414	16.4
375.80817	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03461	2.7
55.01859	1.6
55.05504	1.9
56.05026	2.0
56.96551	3.2
61.86899	0.8
64.14852	0.9
69.17881	0.8
70.06572	1.7
70.77905	2.6
71.06119	1.3
72.04506	10.9
73.02912	1.4
74.02437	38.0
82.02927	10.3
82.06561	2.2
83.01335	2.2
83.04969	13.6
84.04497	33.6
84.08140	2.8
85.02916	1.6
86.09700	2.7
89.03912	4.0
93.23882	0.9
96.90489	0.8
99.05569	54.1
100.03973	17.9
100.07650	1.1
101.02342	0.9
102.05582	2.1
117.03384	3.4
117.06613	7.4
118.05006	29.0
128.03474	1.9
129.06647	1.4
129.10333	1.1
130.04990	14.0
133.06157	1.1
135.04396	5.8
138.05504	3.6
143.00114	1.4
145.02858	3.0
145.06064	18.7
146.04468	96.8
147.07593	1.1
156.06566	1.4
161.01248	2.6
163.03925	25.4
163.07129	100.0
164.04289	2.7
165.06546	2.1
166.05028	2.1
183.62651	1.0
184.06033	3.3
194.04442	1.3
202.57817	1.0
203.02318	1.3
211.07195	4.7
229.08134	4.6
230.06465	1.3
237.00740	1.6
249.02766	1.1
255.01767	2.8
257.07635	2.6
273.02719	2.8
274.10303	3.9
275.08691	3.4
292.11368	21.5
318.64865	1.0
374.25476	1.0
393.04819	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01859	1.3
51.03720	1.6
56.96564	30.1
66.47285	1.4
67.05501	2.3
69.07065	2.0
71.59372	2.9
71.95269	3.4
72.33435	1.3
74.97609	1.6
81.07061	1.5
83.08627	1.6
84.96019	2.0
98.97565	1.7
99.64664	1.3
110.97608	4.3
115.97842	2.5
119.70792	1.5
120.64825	1.5
121.98680	1.7
123.04442	3.9
124.04798	2.3
128.98610	11.8
146.97345	1.5
146.99658	17.5
161.01207	2.5
165.00714	4.5
170.01350	1.7
189.04286	2.4
190.61842	1.4
193.07515	1.5
193.09242	1.6
203.05914	3.1
216.25397	1.3
226.82661	1.8
241.11217	2.0
263.09552	4.2
277.11078	1.8
280.97189	1.4
315.16260	41.7
316.16733	2.1
331.15714	2.4
333.17358	100.0
334.17831	4.2
346.27295	2.2
351.18430	29.6
356.18967	15.8
374.19937	3.4
374.26758	13.2
374.31079	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86000	0.6
53.03950	0.7
54.03465	1.8
55.01860	0.8
55.05511	2.3
56.05034	1.9
56.96552	1.0
59.26425	0.6
65.03934	2.3
67.04251	12.0
67.28748	0.6
68.05019	0.9
69.03401	1.0
69.20433	0.6
70.06589	1.1
71.13705	1.5
71.86009	0.7
72.04521	3.3
72.08148	2.0
74.02439	9.8
75.16054	0.7
80.05013	4.5
81.03426	2.0
82.02949	1.7
82.06576	100.0
83.01337	0.9
83.04971	1.9
83.06087	0.9
83.06910	0.7
84.04503	37.1
84.08143	4.7
85.02910	1.0
86.09705	2.6
88.03948	0.7
89.03921	2.0
93.05792	1.2
99.05576	5.3
100.03981	8.6
100.07618	5.5
102.05548	1.0
106.06580	2.2
108.08092	1.5
114.05504	0.7
117.03374	0.8
117.06582	0.8
118.05006	8.0
118.06530	0.8
120.08102	2.7
128.03435	3.2
129.06650	1.0
129.10254	1.2
130.04999	29.2
135.04425	2.6
138.05502	2.9
142.05016	1.4
143.00160	0.7
145.02824	1.6
145.06088	2.1
146.04488	13.1
147.04878	1.2
147.07635	1.2
148.07573	6.0
150.09172	2.1
156.06572	2.4
159.07639	1.1
163.03899	11.6
163.07133	8.7
164.04272	1.0
165.06592	1.3
166.08649	1.1
174.79214	0.7
181.09760	1.2
182.08128	1.3
183.07738	1.3
184.05998	3.7
194.08157	10.9
210.07664	7.8
211.07166	2.4
212.05611	2.0
212.09102	1.3
227.10234	9.6
229.08266	3.3
230.06598	1.8
255.01833	1.2
257.07709	2.4
258.06131	2.4
262.40353	0.8
273.02771	1.5
275.08740	18.7
282.62231	0.8
338.13278	1.1
339.11917	1.0
356.14511	15.7
374.14987	1.5
374.24237	0.9
395.74069	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01871	1.2
56.05036	1.4
56.96542	1.5
57.03426	2.7
61.02913	0.9
65.03933	2.4
67.05479	0.9
69.03075	1.4
69.03427	21.6
69.07051	3.5
70.06596	4.2
71.01345	0.9
71.04996	4.5
71.22863	1.7
72.08160	1.4
73.02923	1.7
81.03416	13.3
81.07059	1.5
81.18832	0.9
83.04974	1.5
83.06079	2.7
84.04497	11.1
84.08128	3.2
85.02419	1.4
85.02901	20.5
85.04827	1.1
86.09703	25.1
87.00824	12.2
87.04459	2.1
87.05601	0.9
87.10014	2.4
91.05477	100.0
92.05782	1.6
93.07024	1.3
95.04977	1.0
96.04449	1.0
97.02280	1.8
97.02889	33.4
98.97562	2.6
99.04449	10.6
99.05553	0.9
101.02404	1.1
102.05540	2.3
105.01859	11.8
107.04930	1.8
109.02895	4.4
115.03967	0.9
116.07097	2.8
116.98642	1.8
119.04932	1.7
120.08110	1.9
121.53632	1.0
124.07606	2.0
127.03910	34.2
129.06622	3.1
129.10228	1.4
132.10170	5.2
134.99698	1.3
136.07593	1.2
137.06021	1.3
138.09140	2.1
143.03381	1.1
145.02786	1.1
145.04956	24.5
147.04391	2.1
158.69719	0.8
167.06966	1.2
171.02887	1.0
177.00728	0.9
196.14423	1.2
197.12833	4.4
197.14601	1.5
198.13101	0.9
212.12856	4.2
213.03987	1.1
215.13867	5.3
225.12325	1.4
231.04984	18.8
243.13316	1.1
249.06015	6.1
306.09384	0.9
307.10605	1.8
356.23486	1.7
374.12946	1.1
374.18069	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	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56440	0.5
52.99517	0.5
53.03929	0.9
55.98576	0.5
56.05015	0.7
56.96560	3.2
57.03411	1.0
61.02910	1.6
63.02385	0.7
65.03935	0.5
67.69775	0.5
69.03430	4.5
69.07071	0.6
69.71879	1.0
69.72281	3.0
70.06590	2.5
71.04983	0.8
72.08147	1.2
73.02898	0.6
79.05476	1.4
81.03447	2.9
82.06560	0.7
83.04980	0.5
84.04501	2.1
84.08134	1.5
85.02910	15.5
86.09677	2.1
87.04478	0.6
89.03918	10.1
91.03953	1.6
91.05477	0.8
95.04960	1.0
97.02892	5.9
98.21422	1.0
98.97583	0.9
99.04409	0.6
105.07036	0.8
107.04929	1.3
107.08583	0.5
109.02868	1.4
110.07252	0.5
115.62598	0.6
116.07097	0.7
116.98604	1.1
117.03374	15.9
118.77763	0.5
119.04879	0.7
120.08099	0.6
123.04519	0.6
126.15279	0.5
127.03909	3.5
129.10246	1.0
130.04993	0.6
134.03625	1.3
135.04414	9.6
141.59988	0.5
143.00098	0.7
145.02844	42.7
145.04759	4.9
146.03191	0.7
147.04413	1.7
149.06003	6.7
153.01807	0.9
153.05428	0.9
161.01230	1.4
162.03149	1.1
163.03906	30.0
164.04257	3.0
164.05438	0.5
177.05470	100.0
178.05806	1.9
180.08647	1.6
186.05521	0.5
193.12172	0.5
195.06529	51.8
197.12767	0.6
203.02167	0.6
211.13246	1.5
212.09122	0.6
213.00700	1.0
218.99567	0.8
237.00705	10.1
237.02977	0.7
238.01006	0.9
249.02855	0.9
255.01721	5.1
267.04123	0.8
273.02939	0.6
279.08807	0.6
329.06412	2.8
357.05817	3.9
374.14041	0.7
374.18655	16.0
375.07037	7.3
393.04825	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.3
55.01855	2.9
56.41354	0.7
57.03426	3.0
61.02917	2.0
62.60355	0.7
65.03918	1.6
68.99787	1.1
69.03426	14.0
69.64776	5.6
71.04986	1.7
73.02909	2.2
77.57790	0.6
81.03411	10.4
83.50805	0.6
85.02901	42.9
86.09685	3.2
87.00824	18.6
88.38416	0.7
91.05477	100.0
92.05819	1.4
97.02879	16.7
98.21439	1.3
98.21985	0.7
99.04456	5.2
101.02430	0.9
101.47662	0.8
103.03921	1.4
105.01863	32.3
105.07036	1.7
108.04475	1.9
109.02879	13.0
117.01882	0.9
122.50391	0.7
123.02868	1.0
126.05502	1.5
127.03910	37.6
128.06186	0.8
129.01868	1.7
129.07057	1.2
132.10211	1.2
133.06470	1.3
145.04955	17.8
145.06448	1.9
147.02901	1.1
157.06470	0.8
159.02870	6.5
171.08035	1.8
175.07549	2.0
179.74594	0.9
181.06569	1.1
189.03978	3.3
195.06593	1.1
199.07541	1.9
213.03951	1.9
215.13863	0.9
217.08582	1.2
230.06685	0.8
231.04996	10.0
248.07764	1.0
249.06087	2.0
264.54080	0.8
284.92068	0.7
321.09683	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2218
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
51.24212	3.4
55.05493	12.5
61.59723	3.0
64.75038	3.4
67.05482	14.7
69.03407	9.0
69.07064	18.5
69.53765	20.0
70.06585	4.2
71.04975	5.5
79.05476	7.3
81.03417	4.5
81.07050	26.4
82.53788	3.6
83.04963	12.8
83.08617	5.3
85.02878	10.7
86.09682	5.4
91.05472	7.3
93.07025	19.8
95.04916	5.7
95.08591	33.7
97.02842	4.1
97.06534	4.3
99.08057	5.0
105.06998	10.9
107.08555	23.5
109.06503	15.5
109.10149	100.0
109.10905	4.8
111.08002	4.4
119.08557	40.9
121.10120	14.1
123.08055	12.3
123.11694	8.7
127.11174	4.1
131.08597	4.2
133.10147	24.8
135.11679	100.0
136.31149	3.8
137.06122	4.8
137.09621	10.1
138.47989	3.3
149.13252	9.5
151.11209	9.6
151.14766	8.8
165.16403	4.8
167.06931	4.7
175.14812	48.5
179.44334	3.5
193.15875	64.8
201.05521	4.7
211.15100	4.0
211.16943	49.8
237.14767	4.5
296.78851	3.5
373.13528	4.7
373.18118	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	373.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
53.47959	1.5
55.01862	3.2
55.05516	10.7
56.05027	2.0
57.03431	2.1
59.14344	1.4
60.50131	1.3
67.05501	13.8
69.03427	8.5
69.07066	9.3
69.29725	1.4
69.43344	4.6
69.43768	9.5
70.06588	4.4
70.38148	1.4
71.04993	3.5
72.84464	1.3
79.05499	9.0
81.03423	3.1
81.07072	14.9
83.04994	7.3
83.08620	4.0
84.08144	2.8
85.02901	15.8
85.06564	2.9
86.09702	11.2
91.05473	7.3
93.07033	11.3
94.06622	2.0
95.04974	8.7
95.08611	23.2
97.02924	3.2
97.06539	4.1
97.10172	3.1
98.20762	2.9
99.04493	1.9
99.08091	4.3
103.05485	2.0
105.07036	8.4
107.04956	1.9
107.08580	15.1
109.02861	3.6
109.06529	9.3
109.10161	41.7
111.08079	11.7
116.01709	2.1
119.04903	3.0
119.08588	21.1
121.10157	14.7
122.82955	1.6
123.04439	19.3
123.08064	13.6
123.11697	9.3
125.06016	2.2
125.09631	2.3
127.03943	3.5
133.06485	1.8
133.10138	18.7
135.04366	1.6
135.08038	2.1
135.11693	34.6
137.06009	2.9
137.09624	33.1
139.11200	2.7
145.04950	1.9
145.10068	2.7
147.04433	5.2
147.11665	3.4
149.09584	2.4
149.13249	5.8
151.03954	5.1
151.07605	1.5
151.11212	5.4
151.14859	5.5
153.12840	2.1
161.05992	2.0
163.03958	2.0
163.07632	1.6
163.11208	1.8
165.05434	3.0
165.12801	5.2
165.16354	3.5
167.07108	3.8
173.05992	2.9
175.14827	29.9
193.04955	1.6
193.15881	29.1
200.13885	3.7
201.05486	4.4
203.07082	3.3
207.06517	3.1
211.16939	100.0
212.17334	1.7
219.01874	1.6
221.08064	3.2
224.52682	1.5
270.17130	2.0
284.55099	2.1
295.10971	1.6
303.08755	2.8
318.16946	1.7
319.22754	1.7
355.11752	4.9
373.13809	8.1
373.18732	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	373.1835
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
53.04625	0.2
55.05504	0.5
56.05025	0.4
56.96550	0.8
57.03432	0.4
60.04527	0.2
67.05497	0.9
69.03420	0.5
69.07056	0.8
70.06604	1.8
71.04987	0.3
71.19886	0.5
72.08161	2.2
74.02415	0.3
79.05475	0.6
81.03393	0.7
81.07065	0.5
82.06561	0.4
83.04977	0.8
83.06099	0.6
84.04488	1.2
84.08145	2.1
85.02905	0.9
86.09707	8.1
91.05469	1.0
93.07022	0.2
95.04948	0.7
95.08615	0.3
97.02871	0.5
98.97559	0.3
99.05561	0.3
99.08076	0.5
101.07097	0.3
102.05563	0.2
105.07005	0.3
105.49287	0.2
107.04951	0.5
108.08128	0.2
109.06532	0.3
110.09657	0.2
115.08663	0.2
117.03391	0.3
119.04993	0.3
119.08598	0.3
120.08105	0.7
121.10152	0.2
124.07554	0.5
127.03919	0.3
129.10237	1.3
130.05028	0.3
132.10185	0.5
135.04338	0.4
136.07491	0.3
137.06021	0.5
138.09129	0.8
143.11809	0.8
146.04463	0.3
146.06052	0.4
148.06035	0.3
155.10677	0.2
157.13458	0.4
160.03979	0.5
161.05904	0.3
163.03925	0.4
164.07091	0.3
166.08627	0.7
167.07045	0.5
171.02090	0.5
171.11250	0.6
177.00722	0.3
177.05473	0.5
188.03383	0.3
189.12297	0.3
193.15913	0.3
196.14465	0.3
201.05501	0.5
203.05272	0.4
203.13977	0.7
211.13055	1.0
212.12875	0.7
220.05972	0.2
230.12926	0.3
231.01741	0.3
243.08916	0.3
270.03687	0.2
299.10245	0.3
317.14948	0.5
329.15701	1.2
339.08887	0.3
343.17163	0.4
373.18317	100.0
374.18680	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37655	0.3
53.99462	0.3
55.05502	0.9
56.05010	0.6
56.96556	0.6
60.04516	0.4
69.03422	0.6
69.07050	0.5
69.59875	0.5
69.81734	2.1
70.06586	2.4
72.08145	3.3
74.02424	0.4
79.05479	0.6
81.03411	1.0
81.07026	0.5
82.06561	0.5
83.04971	0.6
84.04486	1.1
84.08132	6.0
84.30811	0.3
85.02901	1.3
86.09698	4.4
88.03977	0.5
89.03918	0.8
91.05474	1.0
93.07046	0.4
95.04979	0.5
98.97577	0.5
107.04922	0.5
108.49306	0.4
110.07156	0.5
116.98635	0.4
119.01848	0.4
119.04972	0.4
124.03925	0.4
127.03929	0.7
129.10252	3.5
135.04419	1.4
145.02820	1.2
147.04388	0.4
153.01834	4.9
153.12785	0.4
156.07767	0.4
163.03871	3.0
163.07614	0.3
164.04195	0.6
171.02080	1.2
177.05432	2.0
193.12135	1.1
195.06537	0.6
199.12285	0.4
201.05598	0.5
203.05284	4.4
209.04427	3.6
210.04837	2.1
211.04944	2.9
211.13034	0.7
230.12766	0.5
235.70407	0.4
242.18690	0.5
253.12727	0.4
255.01726	0.4
256.16599	0.4
269.10840	0.4
271.13892	0.4
287.11697	0.4
307.17773	0.3
339.21884	0.4
373.18307	100.0
374.18625	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.0
55.71898	0.4
56.21491	0.5
56.54354	0.4
56.96571	0.6
57.03426	0.8
67.05505	3.7
68.05032	0.6
69.07048	1.6
69.76932	2.7
79.05503	2.2
81.07062	3.1
83.08611	0.5
91.05466	1.5
93.07043	3.1
95.06093	5.4
95.08630	2.4
98.21461	0.6
105.06992	1.3
107.08572	1.2
109.10148	1.0
113.07129	1.5
117.06995	0.5
119.08600	0.8
121.10136	0.8
123.11672	0.8
129.07002	0.6
131.08598	1.1
133.10175	0.7
135.11711	0.7
145.10118	1.2
159.11665	0.7
187.10864	0.5
211.65477	0.7
228.94203	0.5
238.51518	0.4
243.75591	0.4
261.22153	1.4
267.10873	0.5
295.10089	0.8
307.20248	0.6
321.98660	0.5
323.17285	0.7
333.18875	0.7
350.17276	0.6
351.20209	0.7
355.26126	1.3
366.27557	0.7
369.17578	1.8
373.19833	100.0
374.20209	3.8
376.94724	0.5
381.23602	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1835
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
53.03951	0.4
55.05518	1.0
56.05011	1.0
56.96542	0.6
57.03415	0.4
60.04542	0.4
63.36401	0.4
67.05500	0.6
69.03420	0.7
69.07070	2.3
69.63346	0.4
70.06593	3.6
71.04967	0.5
71.34550	1.0
72.08152	4.9
79.05485	0.9
81.03414	1.7
81.07044	1.0
82.06569	0.6
83.06075	0.8
84.04482	1.0
84.08151	3.6
85.02887	1.6
86.09704	22.3
86.10233	1.1
87.10046	0.6
87.40821	0.4
91.04974	0.6
91.05456	3.4
92.05787	0.5
93.07010	0.5
94.06563	0.7
95.04934	0.5
97.02873	0.5
97.06514	0.5
98.97572	0.5
102.05550	0.6
105.07015	0.5
107.04940	0.9
108.04476	2.3
109.02861	0.5
110.07159	0.8
116.07069	1.0
116.98643	0.5
119.04955	0.7
119.08566	0.7
120.08104	3.3
123.04433	0.9
124.07580	1.3
127.03856	0.5
129.10254	2.0
132.13689	0.5
135.04388	0.5
137.05946	1.4
146.05968	1.7
153.01782	0.6
154.08659	0.6
157.13353	2.7
160.03964	0.8
160.05229	0.4
162.05479	4.0
166.08649	1.9
167.07065	0.6
168.06569	1.5
175.11667	0.5
177.05447	1.0
185.12886	3.3
189.12355	4.2
193.12169	1.3
201.05389	3.3
204.06567	1.0
206.08070	1.2
208.06071	1.0
211.13087	1.5
220.06137	0.5
222.06970	0.6
243.11493	0.6
248.08549	0.5
258.63345	0.5
264.10196	0.6
317.15048	0.7
325.11008	0.9
343.11414	0.5
373.18314	100.0
374.18484	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65984	0.5
55.01847	0.5
55.05510	3.1
56.96566	0.9
60.12381	0.5
67.05486	1.5
69.07040	0.6
70.06593	0.9
70.16636	2.6
78.87811	0.5
79.05486	1.7
81.03412	1.2
81.07050	1.8
84.08139	0.5
85.02892	0.7
91.05468	1.9
93.07038	1.1
95.04989	1.2
95.08585	1.1
97.02870	0.8
97.06504	0.9
101.00894	0.8
105.07025	1.1
107.04948	0.8
109.02912	0.6
109.10184	0.8
115.05476	1.0
117.06969	0.7
119.01897	4.6
119.04951	0.7
119.08613	0.5
121.10104	0.9
123.04422	0.8
123.11674	0.5
126.99970	0.6
129.07127	0.6
131.01877	1.9
131.04906	0.9
133.03421	0.7
135.11601	0.8
137.02914	1.1
137.05986	2.5
145.03471	2.1
145.06444	0.7
149.02898	0.6
151.19374	0.6
155.01886	1.1
161.02974	1.0
161.05991	2.0
163.04385	0.6
167.07014	2.8
173.02962	1.8
173.05981	16.4
175.07446	0.8
177.16269	0.6
177.68907	0.5
181.06509	0.8
185.02934	0.8
185.05925	0.7
187.00844	0.9
187.07516	1.2
195.08205	0.6
199.07527	2.2
201.05460	8.6
203.04041	0.7
211.07597	1.2
213.05513	0.6
215.07031	1.0
217.04964	4.2
227.05154	0.7
227.07149	0.7
227.13589	0.6
229.04958	3.3
243.06471	0.6
251.10408	0.6
253.08485	0.6
267.13925	1.1
271.04236	2.0
285.83948	0.6
287.14697	2.6
305.14462	2.5
311.12756	2.4
313.14291	6.1
323.15518	2.6
327.15900	1.0
329.15857	17.4
330.15982	0.7
337.14456	1.4
343.11407	0.7
355.15469	5.8
373.14670	100.0
374.15018	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18340	1.5
53.03944	1.4
55.01868	5.8
55.05513	7.1
56.05043	11.4
56.96561	3.6
58.99572	5.7
61.01141	3.3
65.03944	3.7
66.78366	1.3
67.05496	20.2
68.05019	5.3
69.03382	1.7
69.07061	6.5
70.06594	3.6
71.04989	1.8
71.35087	3.5
73.01132	4.1
74.00660	2.5
76.02223	5.4
76.03993	1.6
79.05489	19.7
80.05006	6.2
81.03409	3.4
81.07056	28.0
82.06567	15.9
83.04968	2.4
83.08610	7.6
84.04492	4.0
85.01115	4.7
85.04006	3.8
85.06469	1.5
85.28723	1.7
86.00655	18.6
86.99022	3.4
88.02200	6.0
88.03961	1.7
88.24831	1.4
91.05472	20.1
93.07034	15.1
94.06560	6.0
95.04959	3.2
95.08582	10.1
96.08132	3.1
97.01115	28.2
97.02882	1.6
97.06533	5.8
97.10159	2.2
98.97573	2.4
99.02680	9.6
100.02183	2.9
105.07018	14.0
106.06580	2.2
107.04948	4.6
107.08590	8.0
108.08112	5.9
109.02859	2.2
109.06488	2.7
109.10176	5.4
111.02658	5.4
112.02171	1.5
112.03966	3.3
114.03703	1.6
114.05543	2.2
116.01675	16.1
116.98602	2.4
117.07023	3.7
117.37605	1.3
119.08611	7.0
121.10133	4.8
123.02617	3.7
123.08095	2.1
125.04207	4.9
129.07016	3.3
130.04961	9.8
131.08571	9.2
133.10130	14.9
134.99718	2.4
135.11684	5.8
137.04222	4.7
137.05981	3.1
143.02771	5.0
145.06389	1.8
145.10069	3.1
147.11668	9.2
149.01198	2.7
149.04193	2.3
149.13246	4.2
157.10121	5.6
159.11699	3.5
159.26556	1.4
161.02280	1.7
162.02161	4.0
163.03911	1.9
167.04486	1.5
167.07101	2.6
175.11188	3.9
177.00723	2.1
177.03331	3.7
177.12776	11.1
189.03255	9.4
191.08911	4.2
193.12212	4.0
194.15399	8.4
195.13782	2.4
197.13428	1.6
204.13727	1.5
206.15431	5.4
209.09930	7.8
212.16443	10.3
213.05476	2.0
217.10490	6.1
218.15388	3.1
224.16533	9.1
227.10954	7.3
235.11526	8.9
252.14105	24.1
263.11069	2.3
270.15240	25.7
270.17419	8.2
280.13666	14.9
327.17139	2.6
338.14044	2.1
355.16776	7.3
373.17926	100.0
374.18033	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.01867	0.3
55.05509	0.2
56.05029	0.3
56.96554	0.2
57.03434	0.2
57.74533	0.2
60.82387	0.2
67.05502	0.3
69.03431	0.7
69.07047	0.2
69.54628	1.2
70.06596	1.5
72.08150	0.6
72.43388	0.2
72.48483	0.2
73.02916	0.2
74.06077	0.3
79.05492	1.4
81.03431	1.0
83.04955	0.3
84.04498	0.6
84.08162	1.0
85.02908	1.1
86.09710	1.9
87.00844	0.3
90.21743	0.2
91.05447	0.4
95.04975	0.6
96.04488	0.6
97.02892	0.6
98.20788	0.4
98.97581	0.2
99.04433	0.2
102.05537	0.3
103.05522	0.2
105.07097	0.2
106.06554	100.0
107.06876	0.5
108.08134	0.2
109.02863	0.3
110.07160	1.3
111.04470	0.2
114.06624	0.2
115.03922	0.2
116.07082	0.4
116.98648	0.2
117.07035	0.2
118.06544	1.0
120.08103	0.4
122.52949	0.2
123.00790	0.3
123.04460	0.3
124.07584	0.7
127.03900	0.4
128.07118	0.4
129.10231	0.2
130.05078	0.2
130.06543	0.4
131.23026	0.2
134.06129	0.2
135.04408	0.2
136.07561	0.2
143.11789	0.2
145.02823	0.3
147.04387	0.2
148.07529	0.3
152.12567	0.2
156.07710	0.6
163.03911	0.5
177.05403	0.3
187.14456	0.5
205.06804	0.2
209.04448	2.4
210.04781	3.9
225.39633	0.2
227.08459	0.2
372.13718	0.2
372.17264	2.0
372.21573	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97483	0.9
56.96289	1.8
56.96563	28.0
71.23425	1.6
71.23746	1.3
71.95260	3.1
74.97578	2.1
79.05499	15.9
81.07065	1.0
84.96033	1.7
87.04467	5.4
95.04977	1.2
105.07050	1.1
107.08587	3.0
108.19856	1.0
110.97559	1.3
116.98640	2.0
128.98593	4.2
133.98840	1.3
141.02266	1.3
146.99643	8.5
149.98232	1.0
155.03783	1.8
157.01732	1.2
159.03270	1.6
161.01170	1.2
165.00674	2.0
167.03748	1.0
169.05327	1.3
171.03232	3.1
173.04836	4.2
175.02628	1.6
177.44119	1.1
177.50366	1.1
181.05344	1.2
185.04944	1.9
187.02711	1.6
189.04358	4.5
191.05879	3.2
193.03818	1.8
195.06944	1.2
199.06433	4.8
201.08014	1.7
203.05878	6.1
205.44429	1.1
207.03374	1.2
209.06885	1.2
215.09563	1.7
217.07425	5.2
219.09145	1.5
225.04277	5.3
225.07881	1.7
227.05930	1.6
229.07466	1.4
243.05357	1.9
243.09056	9.7
247.08476	1.8
253.07471	2.3
255.09013	2.8
261.10126	8.0
268.09763	2.8
269.10919	1.3
273.10040	2.3
281.10538	3.0
299.11530	1.9
308.54495	1.6
313.14682	1.2
329.14258	1.2
331.15765	68.7
332.15939	1.5
347.15155	1.3
349.16849	100.0
350.17249	2.3
367.17984	17.5
372.18417	23.6
372.31039	2.7
373.18799	1.8
383.60803	1.4
390.19473	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	373.1128
Annotation	Randioside
Peak:m/z	Relative Intensity
66.94446	0.3
67.01849	0.7
68.99780	0.6
69.03416	0.8
71.22630	0.7
72.08141	1.0
72.25230	0.3
80.17546	0.3
84.08129	1.6
85.02895	3.3
86.09698	0.6
97.02875	0.8
97.46762	0.4
98.88696	0.4
127.03905	6.3
129.10229	1.1
151.03877	1.2
153.01813	100.0
154.02170	1.1
169.04907	2.1
171.02052	0.5
177.01772	0.4
193.04976	1.2
193.12001	0.5
203.05249	1.1
211.05994	58.0
212.06401	0.7
324.82254	0.4
343.76495	0.4
373.18301	44.8
390.25388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	8.9
56.96558	16.6
67.05505	7.6
69.03415	18.3
69.07051	14.7
70.06566	10.6
70.31557	12.3
70.31950	14.0
79.05482	22.1
79.06007	5.5
81.03410	12.9
81.07039	22.7
83.04999	9.2
84.08141	7.6
85.02932	7.4
91.05478	26.7
93.07021	16.7
95.04958	6.3
95.08600	19.2
98.21442	5.3
98.97578	95.1
99.04424	7.0
103.05434	6.9
105.07025	21.0
107.04922	17.1
107.08576	24.6
109.06493	10.0
109.10114	18.4
116.98621	87.3
117.07018	7.0
119.04957	6.7
119.08546	13.6
121.10162	14.7
122.63147	7.2
123.04424	5.9
125.09604	7.0
128.98592	7.5
131.04941	9.9
131.08549	10.0
133.06491	9.4
133.10130	100.0
134.99660	39.0
135.08078	12.7
137.05954	22.1
137.09636	34.8
138.31990	5.6
139.11249	7.5
145.10199	7.7
147.08003	7.5
147.11674	12.3
149.13213	8.6
158.99631	26.1
167.07040	55.9
173.13268	13.4
175.07483	14.2
177.00681	31.9
177.05492	9.8
179.07014	6.7
187.07431	11.3
191.07040	7.2
191.14330	24.0
192.07707	10.7
207.06497	6.9
209.04431	6.9
217.08664	15.9
219.07994	9.2
247.09845	6.7
249.09091	9.3
251.09596	36.9
263.06952	7.1
269.10629	52.4
279.10034	14.7
285.19839	5.5
309.11276	12.4
327.12073	6.8
339.12271	13.1
353.14069	7.4
371.15198	27.8
374.70886	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	371.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23190	2.0
50.87313	2.2
53.03933	4.5
55.01877	2.4
55.05511	33.2
56.96555	6.6
57.03439	19.5
57.07076	16.5
65.03934	4.3
67.05504	79.1
69.07065	22.9
69.47727	2.0
69.71213	13.0
71.04990	4.0
71.08630	30.3
79.05489	33.4
81.07056	100.0
81.28978	1.9
83.04988	5.2
83.08606	20.3
85.06554	4.6
85.10175	21.2
91.05463	27.4
93.07049	35.4
95.04950	4.3
95.08607	80.8
97.06516	5.1
97.10169	6.8
98.20789	2.5
99.08085	25.5
99.21692	2.1
100.83703	2.1
105.07043	22.6
107.04974	4.7
107.08590	19.4
108.75689	2.3
109.06510	4.0
109.10149	22.3
111.08083	5.0
113.09647	32.1
117.07008	5.7
119.08585	16.0
121.10139	18.1
123.08092	4.0
123.11705	13.3
131.08551	9.7
131.10719	2.3
133.06471	7.1
133.10127	16.3
135.11653	12.9
137.05984	5.6
137.13272	10.3
139.11180	2.4
145.10104	4.7
147.11674	16.3
149.09608	2.6
149.13266	12.8
151.14851	3.7
153.12755	4.2
159.11746	5.5
160.44835	2.0
161.12149	2.1
161.13275	14.7
163.11157	3.5
163.14847	7.6
164.78084	2.6
165.12772	8.2
167.07036	8.3
167.14291	5.9
173.11935	2.8
173.13242	4.4
175.88194	2.0
177.12692	2.0
179.14313	5.0
181.15982	2.4
187.14935	3.1
191.14322	2.8
195.13902	2.4
201.16428	2.2
223.16798	3.2
243.21162	6.2
253.18034	3.6
261.22113	11.5
267.10190	4.0
279.23203	37.7
282.17453	6.7
300.22006	3.0
308.82376	2.2
309.03003	2.2
328.21924	2.1
330.23221	5.7
353.26871	14.3
356.05139	2.5
371.07565	21.2
371.28064	16.9
372.08096	2.5
372.24124	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	371.2062
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
51.39481	4.2
55.05498	10.6
56.96564	5.8
57.07069	4.6
58.07561	4.7
67.05499	13.2
69.03419	16.8
69.07060	7.5
69.45080	4.3
69.66769	17.7
69.67186	11.2
70.06588	12.8
71.64984	3.9
79.05492	19.2
81.03409	12.6
81.07053	24.3
83.05034	4.5
84.08183	6.0
85.02895	17.8
85.06546	10.4
86.09696	10.0
91.05463	16.4
92.30964	4.0
93.07037	22.3
95.04968	12.6
95.08611	11.8
97.02936	5.4
98.97581	15.1
99.08087	5.7
105.07066	21.8
107.04962	17.5
107.08590	21.7
109.06523	12.2
109.10166	14.8
116.98601	12.0
117.07045	6.1
119.08590	9.7
121.06528	5.6
121.10120	22.7
123.04431	4.5
123.07974	4.3
123.11679	7.0
131.04938	7.3
131.08511	6.5
133.06497	28.6
133.10112	100.0
134.99634	6.7
135.08032	15.5
135.11638	4.6
137.05978	11.2
137.09602	55.8
145.10014	5.9
149.09613	7.1
149.13211	10.1
161.05927	4.3
165.12773	13.0
166.59943	4.8
167.07021	28.0
177.00725	8.6
181.04907	5.4
181.06595	4.4
185.06158	4.9
187.07486	5.5
191.14310	47.9
192.07835	5.4
209.15326	37.5
217.08496	5.6
249.08908	4.4
269.10425	7.5
281.11893	6.2
321.11374	4.9
339.12332	6.5
353.14056	5.5
371.12589	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.5
55.05507	6.8
56.96564	2.8
57.07075	2.4
63.67354	1.9
65.08974	1.8
67.05499	6.9
69.03412	4.1
69.07069	4.6
69.70745	14.4
71.04986	2.0
74.76122	2.1
77.64369	2.1
79.05495	11.5
81.03421	5.2
81.07051	15.8
81.55313	2.0
83.04977	2.5
83.08614	2.0
85.02900	6.6
91.05471	8.9
93.07024	9.4
94.04179	4.1
95.04980	8.0
95.08598	7.5
97.02864	3.4
97.06555	3.7
99.04441	2.6
103.05466	2.7
105.07023	8.0
107.04954	21.4
107.08570	4.4
109.06503	4.3
109.10159	7.1
110.06033	3.0
111.04444	4.0
111.08102	2.0
115.05467	5.3
116.06299	2.1
116.98640	2.6
117.07069	3.7
119.04934	3.7
119.08568	4.9
121.06500	5.1
121.10127	4.0
122.03694	10.2
123.04425	7.4
123.08111	2.5
123.11748	3.6
124.05231	4.3
125.06012	4.7
127.03902	3.6
128.06204	4.9
129.05481	3.2
129.07005	11.1
131.04938	5.4
131.08562	7.9
133.06497	8.4
133.10127	4.3
135.08011	3.4
137.05975	100.0
141.06953	4.4
144.05699	7.7
145.06511	2.3
145.10176	2.4
149.05968	3.1
151.03891	5.7
151.07545	3.0
152.04770	3.4
153.05473	2.7
155.08510	2.9
156.05684	16.6
157.06479	5.2
158.07239	3.0
159.08029	14.2
159.11749	2.2
160.05260	2.9
160.50056	2.2
161.06003	6.8
163.03973	3.4
163.11163	2.5
165.05550	3.7
167.07028	54.8
169.06480	3.4
172.05283	2.7
173.05946	3.1
174.06778	5.3
175.07549	13.7
177.05508	5.8
178.07761	3.3
179.07036	4.1
179.08499	2.9
181.04977	2.8
181.06432	2.9
184.05240	3.2
185.06042	2.0
186.06731	3.2
187.04059	2.2
187.07510	16.2
189.07121	3.5
189.09094	6.5
190.07785	3.6
191.06941	3.3
191.08530	3.4
191.14351	4.2
195.08093	2.5
199.07556	3.0
202.06282	6.7
203.08563	6.4
205.06538	5.8
205.08455	4.4
206.07234	5.2
207.08165	3.0
211.07620	3.6
215.06987	5.1
215.08768	3.4
217.08592	60.0
218.07307	11.3
219.08109	7.0
219.10097	3.4
221.09637	6.8
223.07512	4.9
226.06268	5.1
229.08643	2.5
231.08055	9.3
232.08823	5.0
233.05991	2.9
233.09596	17.0
234.06731	8.9
234.98969	2.6
235.07497	12.0
237.05518	3.8
239.07031	14.3
241.08701	13.0
242.05690	4.8
246.06801	3.8
247.07445	4.4
247.09656	20.5
248.08304	5.3
249.09161	15.3
250.06259	2.6
250.09746	3.0
251.07083	8.7
252.07764	10.2
256.07358	2.4
257.08090	5.7
259.07672	3.4
260.07901	2.4
261.09137	22.1
262.06195	5.3
262.09735	4.1
263.07092	9.1
263.10507	2.6
264.07669	3.7
265.08694	6.8
266.09396	7.8
267.06519	2.5
267.10153	5.0
269.08121	8.3
271.06024	7.6
273.50430	2.0
276.07825	2.8
277.08578	19.6
278.09290	11.3
279.06528	6.8
279.09930	4.4
280.07153	3.5
281.08072	2.8
281.11737	7.6
283.09537	2.6
285.07578	43.3
286.08215	3.7
289.08600	7.8
290.09445	3.5
291.06799	2.7
291.09979	3.8
292.07474	2.3
292.10736	3.6
293.08472	3.9
293.11761	17.9
294.08841	5.0
295.09622	5.9
298.08371	3.1
300.09921	43.8
301.10745	16.6
306.08801	5.1
307.09689	11.3
309.11200	20.2
311.09128	5.3
313.10684	8.4
321.11197	29.6
322.11578	2.8
323.09143	6.4
325.10867	6.1
326.11502	14.0
327.12082	2.3
338.11508	5.1
339.08655	6.7
339.12204	5.5
341.13864	9.4
353.09766	2.6
353.13824	40.7
370.62354	2.3
371.14972	27.5
371.20596	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0973
Annotation	5-Hydroxy-6-methoxy-7-O-beta-D-glucosylcoumarin
Peak:m/z	Relative Intensity
52.88024	0.1
53.03934	0.4
55.01866	0.3
57.03431	0.7
61.02929	0.9
67.01865	0.1
67.05494	0.2
69.03075	0.2
69.03429	2.6
69.07071	0.2
70.06586	0.5
70.06897	0.3
70.07285	0.3
71.04986	0.6
72.08141	0.1
73.02898	0.4
79.05469	0.5
81.03420	1.4
81.07047	0.6
83.04951	0.3
84.08125	0.3
85.02900	6.4
86.09724	0.7
87.04452	0.4
91.03946	0.4
91.05453	0.3
93.07039	0.2
95.01334	0.2
95.04954	0.2
95.08611	0.2
97.02890	2.0
97.06518	0.1
98.97566	0.1
99.04453	0.5
103.05478	0.1
105.07055	0.4
107.04929	0.8
107.08579	0.4
108.10296	0.1
109.02904	0.6
109.06494	0.3
110.07153	0.2
111.04434	0.1
111.08098	0.2
119.08560	0.2
120.08092	0.2
121.06522	0.2
121.10168	0.2
123.00776	3.0
123.04456	0.1
123.11707	0.3
125.09592	0.3
127.03903	1.7
131.04854	0.1
131.08572	0.1
133.06450	0.2
135.04399	0.4
135.08052	0.3
136.92209	0.1
137.05963	0.2
141.01811	0.7
143.11781	0.2
145.04939	0.9
145.10117	0.2
147.04445	0.2
147.11629	0.1
149.09541	0.2
149.13309	0.2
159.08023	0.2
163.03903	1.4
163.11147	0.1
163.73383	0.1
167.07037	1.5
169.01326	0.2
173.13263	0.2
175.07431	0.2
187.07506	0.1
189.06885	0.1
191.03398	2.8
191.07045	0.4
191.14290	0.9
193.08633	0.2
209.04437	100.0
209.15334	0.9
210.04764	2.2
217.08629	0.2
249.85844	0.1
277.08615	0.1
279.09937	0.2
321.11111	0.2
339.12302	0.3
341.13748	0.2
348.25974	0.2
353.14142	0.2
362.96753	0.1
371.09796	0.6
371.16702	2.8
371.21017	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.05491	0.9
56.27183	0.7
56.91748	0.6
62.54312	0.6
63.00061	0.7
69.03431	0.9
69.07049	0.8
69.26334	1.9
69.26750	5.8
70.06593	1.1
73.40454	0.7
79.05471	2.0
81.03394	0.8
81.07050	1.9
85.02876	0.8
86.09695	1.2
91.05460	1.4
93.07027	1.5
93.81658	0.6
95.04987	0.7
105.07033	1.4
107.04968	2.2
107.08556	0.9
108.37797	0.6
109.06490	0.7
109.10116	0.8
117.06993	0.8
119.01959	1.5
119.04959	0.7
119.08524	0.8
121.10110	0.9
123.04388	1.1
124.05223	0.7
131.01866	0.8
131.08583	0.9
133.10110	4.2
135.08173	0.7
135.11659	0.9
137.05962	2.0
147.04460	1.2
147.11638	0.9
151.03896	2.7
161.05969	1.5
163.03928	0.9
167.07033	3.9
173.13356	1.4
175.07512	0.9
191.14331	1.5
217.05070	1.4
217.08620	1.5
219.10161	0.7
221.05098	1.9
227.05153	1.2
249.09195	0.7
251.06992	0.7
271.04184	1.5
285.12918	2.5
303.08835	0.6
303.12891	1.3
307.09717	0.9
327.14124	24.2
353.13910	1.6
371.13110	100.0
372.13474	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
55.01870	7.7
55.05514	19.9
55.44905	3.9
56.96556	17.2
57.03448	5.7
61.02910	7.6
67.05498	8.7
69.03423	31.2
69.07057	9.2
70.00410	9.1
70.00820	15.8
70.06585	7.7
71.04974	6.6
71.29904	3.5
73.02913	4.9
79.05486	5.8
81.03416	14.1
81.07050	18.2
83.04978	32.2
83.08636	23.7
85.02896	34.4
87.04490	5.4
93.07025	11.3
95.04977	10.6
95.08586	9.3
97.02866	22.1
97.06514	5.4
98.21508	4.4
98.97578	95.5
105.07020	10.9
107.04922	7.8
107.08576	16.5
109.02859	5.5
109.06489	9.8
109.10165	12.4
111.08055	12.0
115.60901	4.3
116.98641	57.6
117.07069	5.8
119.08611	5.5
121.06493	9.6
121.10117	12.0
123.04440	8.5
123.08073	8.3
125.05974	5.7
125.09620	11.4
127.03873	7.3
131.08540	4.6
133.10146	7.2
134.99661	28.7
135.08070	5.6
135.11707	4.0
137.05968	7.8
139.11179	11.2
151.11183	21.2
153.09122	6.1
158.99654	15.9
163.03946	8.5
163.07341	9.1
165.05533	6.2
167.07036	17.4
167.14328	26.4
177.00731	25.9
181.08171	3.7
181.12238	22.3
189.17990	4.1
191.07135	6.8
193.04936	8.3
194.05801	11.7
209.04457	7.2
209.15346	56.8
239.05522	4.5
251.09653	21.2
269.10571	38.4
292.12323	4.2
338.75140	4.2
371.17166	100.0
371.21600	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	371.097
Annotation	5-Hydroxy-6-methoxy-7-O-beta-D-glucosylcoumarin
Peak:m/z	Relative Intensity
55.05508	1.5
56.50436	0.2
56.96538	0.3
57.07055	0.2
67.05465	0.3
68.99789	0.2
69.03401	0.3
69.07040	0.5
70.06556	0.7
70.90714	0.3
70.91075	0.3
72.08144	1.2
78.18116	0.2
81.07023	0.2
82.06571	0.3
83.04939	0.4
83.08598	0.8
84.04499	0.2
84.08104	0.6
85.02851	0.5
86.09294	0.1
86.09695	1.6
89.03892	0.4
95.01296	0.5
97.02859	0.3
98.97571	0.3
100.07603	2.0
100.11248	3.5
107.04945	0.4
107.08556	0.2
110.07138	0.4
111.04438	1.9
112.07570	0.3
116.07033	0.6
116.98568	0.2
120.08096	0.2
122.99942	0.2
123.00780	3.6
123.04430	0.2
126.09106	0.5
127.03966	0.2
128.07091	1.9
129.05473	0.2
129.10225	0.3
133.02808	0.2
135.04430	0.4
137.05951	0.2
140.07007	0.5
141.01779	0.6
143.11790	0.3
161.02267	0.2
163.03893	2.3
167.06999	0.3
169.01239	0.2
179.03369	0.7
180.03714	0.6
182.15388	4.4
191.03378	3.5
192.03906	0.2
209.04424	100.0
209.16405	0.4
210.04749	2.1
210.14864	5.2
226.19064	0.2
227.17461	1.1
228.15919	0.4
244.20154	1.2
336.22775	0.7
337.21146	2.3
353.26096	0.2
354.23859	3.0
371.16736	11.3
371.26431	2.0
372.11255	0.2
372.17316	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.5
56.50436	0.2
56.96538	0.3
57.07055	0.2
67.05465	0.3
68.99789	0.2
69.03401	0.3
69.07040	0.5
70.06556	0.7
70.90714	0.3
70.91075	0.3
72.08144	1.2
78.18116	0.2
81.07023	0.2
82.06571	0.3
83.04939	0.4
83.08598	0.8
84.04499	0.2
84.08104	0.6
85.02851	0.5
86.09294	0.1
86.09695	1.6
89.03892	0.4
95.01296	0.5
97.02859	0.3
98.97571	0.3
100.07603	2.0
100.11248	3.5
107.04945	0.4
107.08556	0.2
110.07138	0.4
111.04438	1.9
112.07570	0.3
116.07033	0.6
116.98568	0.2
120.08096	0.2
122.99942	0.2
123.00780	3.6
123.04430	0.2
126.09106	0.5
127.03966	0.2
128.07091	1.9
129.05473	0.2
129.10225	0.3
133.02808	0.2
135.04430	0.4
137.05951	0.2
140.07007	0.5
141.01779	0.6
143.11790	0.3
161.02267	0.2
163.03893	2.3
167.06999	0.3
169.01239	0.2
179.03369	0.7
180.03714	0.6
182.15388	4.4
191.03378	3.5
192.03906	0.2
209.04424	100.0
209.16405	0.4
210.04749	2.1
210.14864	5.2
226.19064	0.2
227.17461	1.1
228.15919	0.4
244.20154	1.2
336.22775	0.7
337.21146	2.3
353.26096	0.2
354.23859	3.0
371.16736	11.3
371.26431	2.0
372.11255	0.2
372.17316	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0972
Annotation	6,7-Dihydroxy-5-methoxycoumarin 6-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.15332	0.2
55.01859	0.8
55.05501	0.4
56.96544	0.4
58.78321	0.2
65.03934	0.3
67.05498	0.4
68.99783	0.4
69.03424	1.2
69.90747	1.5
70.06574	1.1
72.08147	0.6
81.03407	0.5
82.02901	0.3
82.06571	0.7
83.01335	1.5
83.04961	1.0
84.04502	0.5
84.08127	0.8
84.09031	0.3
85.02896	0.9
86.09680	0.6
88.03976	0.3
89.03899	0.4
91.05815	0.4
93.03366	0.2
94.06586	0.3
95.04937	0.8
95.08692	0.3
97.02865	0.4
98.21412	0.3
98.97569	0.4
99.04438	0.3
99.05573	0.7
105.03374	0.8
107.01295	0.8
107.04915	0.9
109.02835	0.3
111.04427	0.9
117.03383	0.3
119.04910	0.6
123.04447	1.5
125.05988	0.7
127.03907	0.8
129.05502	0.3
130.04993	0.4
133.02841	1.9
135.04391	1.1
137.02315	0.7
137.05925	0.7
139.03928	1.4
145.02847	0.4
146.04446	0.6
147.04358	0.5
149.02315	1.1
150.03079	0.6
151.03966	1.5
153.01810	0.7
153.05496	2.0
161.02321	1.7
163.03900	11.1
164.04269	0.4
165.01802	0.6
167.03439	0.3
167.07051	0.3
179.03395	4.9
180.03680	0.3
181.04910	0.7
183.02982	0.3
191.03384	2.6
197.04417	0.6
209.04439	100.0
210.04776	1.8
225.41058	0.2
237.00511	0.3
272.08740	0.3
285.00632	0.4
330.20105	0.2
353.14059	0.3
371.16837	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16360	0.9
53.03933	1.9
55.01867	1.9
55.05499	2.3
56.05013	0.9
56.96550	1.4
57.03421	1.5
65.03934	2.2
67.05502	7.0
68.99812	1.0
69.03415	4.1
70.06590	9.8
71.28233	2.4
72.04512	1.1
72.08147	3.1
74.02418	2.2
77.03932	1.8
79.05475	2.3
81.03423	5.0
81.07052	1.2
82.06583	0.9
83.04984	6.9
84.04484	3.2
84.08147	4.8
85.02895	3.9
86.09704	7.8
88.03985	3.0
89.03912	2.9
91.05853	4.7
93.03384	2.3
95.04963	9.8
97.02876	2.2
98.06040	1.0
99.04463	1.5
99.05559	1.6
101.06010	1.3
102.05584	0.9
105.01871	0.8
105.03375	8.7
107.04977	4.6
109.02870	2.1
110.07123	2.3
111.04436	12.9
111.08099	1.9
111.54492	1.2
116.07070	2.4
117.03369	2.4
118.05018	1.0
121.02864	2.1
123.00802	1.2
123.04426	34.0
126.05472	0.9
127.03939	1.7
129.05470	4.7
129.10228	2.0
130.04979	2.4
133.02850	42.4
134.03209	1.1
135.04410	8.0
135.07933	1.0
136.07549	1.2
137.02330	9.4
137.05931	1.4
139.03882	6.3
143.11818	1.2
143.57442	1.0
145.02827	2.9
146.04474	7.6
147.04402	2.2
147.06552	1.7
150.03116	5.1
150.05487	2.2
151.03922	23.3
152.07083	1.8
153.05441	1.5
154.02574	1.8
155.03157	1.0
157.04974	2.7
161.01306	1.5
161.02338	29.2
163.03908	17.8
164.04289	1.9
167.07042	1.5
174.08476	1.4
175.07222	1.4
178.02563	1.5
178.04979	2.9
179.03392	100.0
179.05078	3.5
180.03740	5.1
197.04509	9.6
204.96185	1.0
209.04433	36.0
209.12840	1.3
219.06412	1.5
256.11966	2.1
264.34290	1.0
268.08139	1.4
273.14410	1.3
285.00931	1.4
371.09244	1.3
371.16833	19.8
371.23315	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.9623
Annotation	Unknow
Peak:m/z	Relative Intensity
63.18919	1.8
69.64273	10.7
70.95849	3.0
72.93794	2.1
73.15707	2.0
74.60270	2.4
91.02780	2.2
92.67892	2.2
98.21471	3.0
98.42516	2.3
98.97589	6.5
116.98637	6.7
134.99655	4.3
180.88640	2.4
193.37138	2.1
196.94968	2.4
218.73969	2.4
222.89856	22.1
229.89557	14.0
240.88480	3.9
240.90936	81.4
247.90695	24.0
263.92648	4.6
264.90936	18.2
274.97760	2.3
279.89813	4.9
282.91965	35.7
288.90991	8.5
292.98724	2.6
297.90671	5.6
305.93423	2.6
306.92007	100.0
307.92249	2.8
324.93048	48.0
329.93616	9.2
347.94617	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	371.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
63.80536	10.6
69.03406	14.0
70.06579	27.8
71.58831	19.6
83.06111	11.6
85.02876	14.7
98.97588	15.7
99.26553	10.3
110.07130	11.6
124.84228	10.4
136.06149	12.4
152.02278	10.4
162.78043	10.6
184.18086	11.1
200.04341	14.9
226.11838	22.3
238.18398	11.6
371.07407	100.0
371.11990	16.7
371.12735	15.5
371.19400	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	370.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.3
55.01872	3.9
55.05505	19.2
56.05021	3.6
56.96542	2.3
57.03434	1.6
61.02915	3.0
67.05489	5.7
68.05021	8.8
68.05827	1.3
69.03429	18.2
69.07049	4.5
70.06588	50.9
70.53891	5.1
72.08148	2.1
79.05495	12.8
80.05022	18.0
81.03417	65.9
81.05785	1.3
81.07050	13.8
82.03747	2.4
82.04194	6.3
82.06583	13.0
83.01299	1.2
83.04984	6.2
83.08614	1.5
84.04497	3.0
84.08138	3.3
85.02901	8.1
86.09689	5.5
91.05473	13.4
92.05787	2.6
93.05791	1.5
93.07031	6.8
94.06544	4.2
95.01312	3.4
95.04972	3.7
95.08610	2.9
96.04481	3.8
96.08086	2.8
97.02877	2.1
97.06525	5.3
97.08915	15.9
98.06051	60.0
98.09711	2.7
98.20818	1.5
99.04458	9.2
99.06832	1.9
99.08099	1.4
103.05479	2.9
105.07027	7.9
106.06550	5.6
107.04966	5.1
107.08600	4.4
108.08101	5.1
109.02860	2.0
109.06522	7.3
110.06003	3.8
110.07143	3.6
110.09663	1.9
114.05488	1.3
115.05420	2.2
116.07093	3.2
117.07011	4.9
118.06523	7.4
119.04931	4.8
119.08553	4.0
120.05258	2.1
120.08092	17.0
121.06533	2.9
121.10130	2.1
122.06029	2.5
123.04424	2.9
123.08087	2.1
124.07566	2.4
125.05978	1.7
126.05474	2.3
127.03911	2.4
127.56770	1.3
129.06999	3.4
129.10223	1.5
130.06505	1.8
131.04910	3.1
131.08562	5.6
132.05733	2.9
132.08078	2.9
133.06522	1.7
133.10100	3.1
134.05978	2.2
134.09654	12.4
135.04428	2.2
135.08014	2.9
136.07545	2.0
136.11220	4.7
137.05968	4.8
139.07472	1.3
145.06593	1.8
146.09619	8.4
147.04417	2.9
147.08035	2.7
148.04790	1.6
148.07562	10.5
148.11195	19.6
149.05962	2.1
149.09648	2.8
149.12004	2.6
150.12779	2.0
154.08687	1.5
160.05193	1.6
160.11179	2.6
161.06033	1.8
162.09094	4.3
163.03954	1.3
163.07524	2.3
164.10721	12.2
164.42140	1.2
165.05453	1.4
165.09132	1.9
165.11469	2.8
166.08604	6.3
166.12263	4.4
167.07056	7.9
175.03914	3.4
175.07544	1.4
176.04221	3.5
176.10718	6.1
177.05470	2.4
177.11511	4.3
178.12250	7.4
180.07811	2.2
181.08574	1.8
182.73610	1.2
191.07080	3.0
192.07776	3.6
193.08612	4.3
194.11732	1.9
195.12558	9.2
196.13298	5.0
199.09575	2.0
207.06534	5.6
208.06870	8.4
217.08623	2.1
227.08784	1.3
246.11203	2.2
254.10214	12.5
255.08652	5.0
272.11304	3.1
274.31082	1.5
310.12784	1.5
311.03671	1.3
322.12726	2.8
324.14423	1.8
334.12744	3.3
338.11124	1.4
352.14120	15.4
353.13928	2.9
355.44891	1.3
370.14963	100.0
371.15149	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	369.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	13.2
57.07061	7.9
67.05491	28.8
69.07060	24.1
71.60608	5.1
77.60366	3.5
79.05491	17.5
81.07046	64.7
83.08600	11.6
90.87931	3.8
91.05486	23.1
93.06474	5.1
93.07038	58.4
95.04937	6.5
95.08601	89.9
97.10172	8.3
103.31226	4.3
105.07011	52.1
106.74412	3.8
107.08580	71.5
109.06496	4.5
109.10152	64.2
109.71695	4.3
111.08076	5.3
112.85513	4.0
119.08562	67.0
119.09361	6.6
121.10135	75.9
123.11694	28.7
127.86773	4.6
131.08578	16.3
133.10094	30.8
135.11674	43.5
137.13203	9.9
145.10132	16.2
147.11649	42.7
149.13246	28.5
151.11157	4.9
151.14766	5.5
159.11621	28.6
161.13229	33.9
163.14775	17.3
165.12720	8.1
171.11661	8.0
173.13248	14.4
175.14839	19.4
177.12674	6.3
177.16408	7.4
179.14352	5.6
187.14822	18.0
189.16362	35.8
191.17921	47.0
201.16422	16.8
203.17943	18.4
205.15884	4.7
213.16364	4.2
215.17957	17.9
217.19478	15.3
229.19530	4.7
233.19113	6.4
237.54866	4.1
239.74982	4.9
241.19398	7.1
255.20886	6.0
260.30707	4.2
309.25613	4.5
351.30405	51.0
369.31528	100.0
370.31607	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	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.9
55.01868	8.1
55.05508	41.0
55.32971	1.5
56.23118	1.8
56.96569	2.4
57.03435	20.1
57.07070	2.7
65.03925	1.7
67.05502	69.2
69.03423	2.3
69.06715	3.1
69.07067	42.6
69.41967	10.9
69.42379	4.6
71.04991	4.0
79.05492	51.2
81.03420	3.1
81.07055	100.0
82.07386	2.7
83.04980	5.8
83.08612	33.7
85.06541	4.3
91.05476	40.5
93.07040	58.2
95.04983	9.9
95.08602	53.4
95.09223	1.7
97.06534	14.5
97.10175	4.2
99.08102	5.1
103.05457	3.0
105.04501	1.7
105.07032	31.1
107.04954	6.5
107.08588	32.6
109.06503	5.7
109.10139	15.8
111.08057	9.5
115.05341	1.9
117.07015	6.7
119.04983	2.3
119.08571	23.5
121.06506	1.4
121.10149	29.5
123.08076	5.2
123.11734	8.4
125.09661	4.1
128.06161	2.3
129.07008	5.3
131.04944	5.3
131.08591	9.1
133.06416	1.6
133.10121	20.6
135.11684	19.6
137.05986	3.4
137.09621	3.8
139.11177	2.6
143.08585	3.9
145.06517	4.5
145.10129	8.1
147.11673	21.8
149.09644	3.7
149.13258	9.7
151.11253	2.5
157.06628	1.6
157.10144	2.1
159.11641	7.9
161.13251	14.2
161.82532	1.8
163.11197	3.0
163.14844	4.1
165.12756	5.0
167.07037	2.5
171.11705	5.0
173.13300	4.0
175.11192	2.2
175.14854	3.6
179.14291	5.2
185.13301	2.6
187.14804	1.7
189.12758	3.8
190.95398	2.0
191.24104	1.7
192.58830	1.6
195.13786	2.4
199.14883	2.7
207.13820	2.9
208.96582	2.4
231.21146	2.8
241.19595	2.0
249.22285	2.5
257.43365	1.8
259.20502	11.0
261.24039	1.8
266.09137	1.9
277.21634	20.4
309.10901	3.2
322.09668	1.8
337.10568	5.4
351.25400	9.4
361.27554	1.7
369.13275	6.8
369.26733	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	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79493	5.4
55.05507	42.7
57.03424	11.3
57.07055	6.5
65.03924	5.9
67.05177	6.0
67.05507	100.0
69.03403	9.5
69.07053	22.4
69.93963	30.2
71.08628	14.1
71.64429	5.0
79.05103	6.6
79.05495	57.6
81.03394	6.4
81.07053	73.9
83.04960	8.8
83.08610	29.1
85.02883	5.9
91.05480	36.5
93.07046	63.5
95.04949	9.3
95.08616	43.9
96.42819	4.9
97.10155	24.1
98.20798	6.2
99.08100	11.6
105.07027	33.1
107.08593	67.2
109.06546	6.9
109.10146	68.1
117.07000	11.1
119.08565	18.3
121.10143	30.6
123.08004	6.4
123.11702	12.9
125.09642	26.1
131.08554	10.4
133.10107	24.5
135.11681	35.7
145.10117	6.8
147.11661	16.4
149.09621	7.0
149.13284	11.9
151.11197	8.6
153.05688	5.2
153.12680	6.0
157.10138	6.4
159.11687	6.8
161.13226	9.6
163.11134	6.4
173.11668	11.4
175.14738	6.6
179.14307	22.8
185.13281	6.8
187.88554	4.8
189.11230	19.2
207.13753	6.9
213.16492	6.6
227.12840	16.5
241.19655	6.2
245.13844	12.6
259.20593	24.4
277.21594	65.5
351.25360	42.1
369.20068	16.5
369.26166	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	369.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
53.53262	0.4
55.01863	5.4
55.05507	5.2
57.03437	3.5
57.07064	1.0
67.05499	5.5
69.03416	0.8
69.07069	4.7
69.66348	2.1
69.66756	1.0
79.05482	5.9
81.07051	27.7
83.04971	3.0
83.08617	2.0
83.78017	0.4
85.06501	0.4
88.00545	0.4
90.96140	0.4
91.05477	4.8
93.07034	5.7
94.75398	0.4
95.05010	0.7
95.08598	6.4
97.06519	1.7
103.05463	0.8
105.07024	4.6
107.04942	1.0
107.08577	5.3
108.30569	0.4
109.06503	12.6
109.10162	2.7
111.04434	18.4
111.05201	1.0
111.08104	1.2
117.07069	0.6
119.08572	4.8
121.06536	0.5
121.10114	4.0
123.08064	1.9
123.11708	2.1
125.05977	6.2
129.07007	0.5
131.04942	0.9
131.08566	2.1
133.06416	0.8
133.10110	5.0
135.08049	2.7
135.11691	3.2
137.05966	100.0
137.09592	1.5
137.13254	1.6
138.06310	2.1
139.07489	0.7
143.08546	1.5
145.06522	0.7
145.10115	1.8
147.08028	1.7
147.11668	6.2
149.09593	3.4
149.13283	1.1
150.09871	0.4
151.07549	2.9
151.11205	1.0
157.10141	1.9
159.11723	1.2
161.05864	0.5
161.09619	6.2
161.13234	2.2
162.09956	0.5
163.11169	3.7
163.14809	0.8
165.09088	2.3
167.10733	0.8
171.11690	1.4
173.13205	0.5
175.11179	5.0
175.14763	1.0
177.05441	0.7
177.09056	1.0
179.10602	2.3
181.12169	0.6
185.13225	0.7
189.12729	1.2
191.14340	0.4
193.12238	0.9
197.13252	0.6
202.16063	0.4
202.48540	0.4
203.17935	5.9
204.18407	0.6
207.06508	0.6
207.13792	0.6
213.16371	2.1
215.95081	0.5
221.18987	2.3
223.14867	0.9
231.17426	9.5
232.17755	0.7
232.96535	0.5
241.15913	1.3
249.09105	0.6
249.18466	13.6
277.17969	60.6
278.18311	3.3
295.19006	15.4
296.19421	0.8
305.08136	0.9
309.11136	0.7
337.10559	2.0
351.21631	7.7
369.13058	1.0
369.22760	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	369.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	10.0
56.96563	58.5
57.07060	0.7
67.05487	3.1
69.07045	2.3
71.21217	1.6
71.95264	4.9
72.96027	2.7
74.97604	1.6
77.04530	0.7
79.05480	2.6
81.03410	0.9
81.07054	4.8
83.00557	0.8
83.08618	5.6
84.04468	1.0
84.96022	1.9
85.06522	0.8
86.09724	0.8
91.05484	4.1
93.07036	3.0
95.04968	1.1
95.08604	4.3
97.96886	1.0
98.97572	0.9
101.71842	0.7
105.07025	1.9
107.08556	1.4
109.10174	1.5
110.97598	2.6
115.13631	0.8
116.98601	0.9
117.06973	1.6
119.04939	1.9
119.08573	2.1
121.10114	1.1
123.01193	2.7
127.52508	0.7
128.98593	4.0
131.04921	1.5
131.08609	1.5
133.01761	1.4
135.11624	1.2
137.02768	1.2
137.06033	1.2
141.02251	1.0
141.24210	0.7
143.08571	0.9
145.01707	1.4
145.06485	2.3
145.10188	1.0
146.99648	6.1
147.04402	2.4
147.11621	1.0
149.05991	1.5
151.07481	0.8
155.03796	4.0
159.03265	2.1
160.00642	0.9
161.01233	0.9
165.00644	1.5
169.01689	1.0
170.01195	0.9
171.03273	3.1
173.04805	2.2
175.03903	2.8
177.04311	1.2
177.05699	0.9
181.05228	1.3
183.03287	1.6
183.06793	1.1
185.04799	1.3
187.02750	1.3
187.06323	1.5
189.04279	1.9
189.07977	1.2
191.05878	1.9
195.06898	1.5
197.08414	1.0
199.06389	6.0
201.04395	1.3
203.05904	4.7
207.03215	0.9
207.06596	5.8
207.08652	0.8
211.06430	2.0
213.07980	16.5
215.05957	1.2
217.07422	8.6
219.08981	1.0
222.07751	1.3
223.10196	1.9
225.04279	1.1
225.07948	5.8
229.07434	8.1
231.09041	24.6
232.09126	0.8
234.06534	1.0
236.09499	1.6
237.04526	0.8
237.07930	2.3
239.09532	7.3
241.11136	12.3
243.08975	8.2
247.08566	8.1
248.08481	0.9
251.09479	10.6
253.07344	0.8
253.11079	1.5
255.09013	6.3
257.10611	6.8
259.12167	17.4
261.10049	0.9
267.09164	1.3
269.10602	51.9
270.10675	1.0
271.12039	1.0
273.10107	2.8
277.08524	1.1
281.10773	0.9
282.13904	1.4
287.11649	33.2
292.12216	4.4
299.11633	0.9
309.17358	0.9
310.13138	2.2
315.16455	1.5
321.17303	0.9
333.17352	19.9
334.17569	1.0
337.10675	2.7
351.18423	45.5
369.19476	100.0
370.19821	3.3
374.20004	6.1
387.20520	93.1
388.20929	2.3
392.21121	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.133
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
55.01869	3.6
55.05520	6.0
56.96560	3.4
59.71780	2.1
61.71932	2.4
64.70203	2.2
67.05501	14.3
69.03416	13.9
69.07063	10.9
69.28465	2.2
70.06602	2.6
70.73235	6.4
70.73589	2.8
71.47472	2.1
79.05497	9.1
81.03416	15.3
81.07058	24.2
83.04974	3.6
83.08627	4.4
85.02901	6.7
85.06543	5.8
86.09691	4.2
91.05486	33.7
93.07057	15.9
95.05001	4.0
95.08612	13.3
96.04218	2.2
97.02872	4.5
97.06540	7.9
98.97609	3.0
99.04491	2.5
99.08092	3.3
103.05475	3.4
105.06998	13.2
107.04974	4.0
107.08617	11.6
109.02885	5.8
109.06488	5.6
109.10130	17.3
112.63251	2.5
116.98577	4.7
117.07018	6.8
117.55338	2.2
119.04939	33.2
119.08584	8.2
121.10123	14.0
123.08069	4.2
123.11703	5.8
125.09619	8.2
127.04033	3.4
128.06247	3.2
129.06952	2.3
131.04930	5.4
133.10150	7.2
135.04362	2.5
135.08018	3.2
135.11748	4.4
137.05966	5.0
143.08553	3.0
145.02791	2.7
145.06480	9.0
145.10188	6.3
147.04395	27.8
147.08098	2.7
147.11697	9.0
149.09595	3.2
151.04001	3.0
151.11180	7.1
152.06136	3.3
157.10139	3.5
157.55719	2.6
159.11667	3.7
161.05975	4.7
161.09637	2.6
163.07468	3.3
167.07069	5.7
169.12254	4.3
175.03911	45.4
175.07469	3.3
177.05376	5.4
179.07077	5.1
179.08557	5.4
180.05779	4.2
181.06573	2.5
187.42487	2.4
191.08630	2.9
193.12163	2.7
195.07925	3.2
196.05313	2.8
199.07620	3.1
202.07819	2.8
203.08566	4.9
205.06609	7.5
206.07285	3.8
207.04556	4.0
207.06497	81.5
208.05186	53.5
208.07033	4.7
209.05899	4.0
210.06755	3.1
215.03627	2.8
215.07033	4.0
218.07262	5.3
219.08099	13.4
220.08723	2.7
221.06094	4.0
221.09685	6.1
223.07533	5.3
224.08437	4.2
225.05524	3.1
225.09270	5.9
226.06316	2.6
227.07050	3.1
229.12294	2.6
231.08098	11.0
233.05949	5.8
234.06732	12.4
235.07465	11.5
236.04718	8.0
236.08200	3.6
237.05473	2.7
237.09039	3.0
239.07097	11.0
240.04259	6.9
245.54111	2.4
246.06721	5.3
247.07568	33.7
248.08302	14.8
249.09082	10.8
250.06242	6.3
251.07095	5.1
252.07910	3.1
254.05847	6.9
255.06381	3.3
257.04456	4.6
257.08157	3.6
258.06702	3.6
259.07434	5.0
260.08453	4.5
261.05225	2.7
261.09039	3.1
262.06332	6.2
263.06979	10.6
263.10730	9.6
264.07913	9.3
265.08618	11.5
267.10181	5.6
268.03799	5.9
269.08105	25.4
270.08646	3.3
271.06094	3.8
272.06802	3.9
275.06982	20.7
276.07861	9.4
277.08542	29.4
278.06030	2.9
278.09375	5.2
279.06665	6.9
279.10184	12.7
280.07208	5.6
281.08237	7.1
281.11758	8.1
282.05246	7.7
283.06070	3.3
285.07626	18.8
285.10852	4.3
287.09204	4.7
289.08374	2.7
290.09412	15.7
291.07147	3.1
291.09991	16.1
292.07324	7.2
293.07965	11.9
294.08813	7.5
295.06192	3.6
295.09729	9.7
300.06763	3.9
300.09903	16.7
301.07028	3.1
304.07193	4.1
305.08014	13.1
306.08868	8.5
307.09711	21.8
308.07269	3.2
308.10471	11.1
309.07623	13.4
309.11246	22.2
311.09122	3.5
313.10626	17.2
315.08630	100.0
315.11832	3.9
316.09073	4.1
318.08759	11.3
319.09634	11.9
320.10425	5.9
321.07568	9.1
321.11307	9.0
322.08304	5.1
323.09161	27.3
323.12878	9.8
324.09869	18.0
325.10608	5.1
333.24280	7.6
336.09927	9.6
337.10690	20.0
338.11499	25.3
339.08652	5.4
339.12125	21.8
341.14032	2.8
351.12286	43.8
354.10977	5.9
369.13367	84.8
369.18515	5.3
369.24072	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1181
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
51.87621	2.0
56.96577	3.3
57.03432	2.5
65.03911	2.5
67.05482	4.2
69.03406	6.6
69.07039	2.4
70.06593	15.0
70.88296	4.7
72.08152	6.8
79.05496	2.6
81.03397	5.0
83.04959	4.9
84.04500	4.3
84.08130	7.9
85.02879	6.8
86.09705	15.7
86.98801	2.2
89.03912	9.6
91.05476	6.6
95.04959	3.4
97.02932	3.6
105.07056	2.6
107.04950	4.1
107.08571	3.3
110.07147	5.8
111.04427	4.5
116.07076	3.1
116.98556	2.6
117.03383	22.3
119.04945	3.9
119.08624	3.2
123.04362	3.3
127.03873	2.9
129.10231	5.2
135.04459	3.1
145.02843	51.7
147.04356	2.8
149.05949	5.7
167.07016	3.0
175.03981	6.2
177.05464	100.0
179.03468	4.7
192.74831	2.4
195.06099	3.0
207.06435	11.1
247.07799	2.4
315.08234	2.3
369.15005	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	368.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01867	5.5
57.03424	5.0
57.21222	1.2
58.56657	1.3
61.02922	4.8
68.99781	2.8
69.03428	33.6
69.25765	1.4
69.78128	8.3
71.05003	3.7
73.02918	5.2
78.83481	1.2
81.03418	20.8
85.02902	100.0
86.03267	1.3
86.50539	1.4
87.00825	37.4
91.03951	1.9
91.05434	2.2
97.02891	28.3
99.04442	10.9
105.01862	76.6
108.04488	2.3
109.02874	24.9
116.61292	1.2
117.01826	2.1
119.04945	2.8
127.03913	70.4
129.01884	1.8
145.04956	35.6
147.02878	2.5
147.04501	3.1
159.02902	12.7
161.05972	3.5
175.03943	3.6
189.03975	3.6
207.06493	9.2
213.03998	3.0
226.02454	1.5
231.05014	22.3
249.06021	4.3
337.10825	1.8
340.08847	1.8
351.11166	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.0
53.21209	1.4
54.57917	1.5
54.96532	1.5
55.01854	4.7
55.05269	1.9
55.05509	27.2
55.13672	1.5
56.96547	5.6
57.03425	3.4
57.07063	4.9
58.06585	7.0
60.04522	22.2
61.37315	1.6
65.03924	1.8
66.53449	1.5
67.05501	21.1
69.03408	5.8
69.06715	2.2
69.07062	25.2
69.64102	3.9
69.64513	9.2
70.06589	4.6
71.04989	8.7
72.08146	6.5
74.80604	1.5
79.05482	19.0
81.03387	4.0
81.07053	17.8
82.06548	2.0
83.04971	4.9
83.08620	12.3
84.08125	7.8
85.06516	5.3
86.09698	29.4
88.07607	2.6
91.05479	16.3
93.07038	17.6
94.06538	2.5
95.04971	10.5
95.08604	11.2
96.08124	2.4
97.06509	4.2
97.10165	16.5
99.36246	1.7
100.07614	1.8
103.05440	10.9
105.03387	2.0
105.07015	15.1
106.04153	12.1
107.04952	6.9
107.08572	6.6
109.06501	5.7
109.10133	5.6
110.06042	4.0
112.07598	26.3
113.06039	2.4
115.05473	4.2
117.03345	2.3
117.07014	7.0
118.04134	2.4
119.04931	4.1
119.08569	5.4
121.06480	7.3
121.10138	8.3
122.09663	9.2
123.08016	3.8
125.09621	14.5
128.06223	2.0
128.10698	25.7
129.06940	3.4
130.08597	2.9
131.04907	15.7
131.08557	5.1
132.05688	7.7
133.06487	17.3
133.10136	2.1
135.08038	5.3
135.11682	5.6
137.05968	5.8
137.09660	1.8
138.12784	4.8
143.08543	2.3
145.06465	5.0
145.10124	4.5
146.03560	1.8
147.04378	4.8
147.11658	2.9
148.05167	1.8
148.11171	2.8
149.05980	19.5
149.13222	2.5
151.07570	2.7
154.08606	10.9
154.12250	2.4
157.10133	2.5
159.08028	2.9
159.11624	2.8
160.05157	3.0
161.05948	15.5
167.07088	3.3
172.09671	9.7
175.03943	2.0
175.07390	1.8
177.05450	34.9
179.07040	11.0
180.13824	15.6
187.07542	2.1
187.11115	2.3
189.11220	12.0
191.07054	6.2
192.07813	8.7
195.13945	2.2
197.07335	5.3
200.41965	1.9
207.06523	14.2
215.07007	4.3
221.15367	2.1
223.13226	3.0
257.25626	1.9
272.19992	3.2
273.18536	5.0
276.07584	2.3
276.20462	3.1
277.08749	3.6
280.26401	5.0
290.21091	9.4
291.10260	3.0
291.19467	6.6
305.07965	2.1
308.22079	13.4
309.11099	3.6
309.17426	2.4
327.18454	3.8
337.10651	20.6
350.23288	21.8
368.12219	2.5
368.24313	100.0
369.13394	13.0
369.24640	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	368.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	1.1
51.02386	1.3
53.03938	3.6
53.35885	1.2
55.01859	3.3
55.05516	9.6
56.05021	2.8
57.03424	2.9
65.03944	2.6
67.05179	1.7
67.05508	23.9
69.03426	3.6
69.07067	7.4
70.06601	1.1
70.53604	3.4
71.04983	1.7
74.06069	1.3
75.71224	1.0
77.03902	1.1
79.05058	2.1
79.05499	29.0
79.05956	1.8
79.20527	0.9
81.03039	1.0
81.03429	8.8
81.07061	24.4
82.07388	1.1
83.04958	2.3
83.08618	4.6
85.02937	2.5
85.06538	1.5
91.05486	68.4
93.07055	16.7
94.39115	1.2
95.04964	4.9
95.08607	12.5
97.02885	1.4
97.06531	3.4
99.04411	1.3
103.05467	3.5
105.07037	58.8
106.06590	1.1
106.07354	1.9
107.04943	4.7
107.08602	12.1
109.02875	2.9
109.06525	4.5
109.10188	5.8
115.05450	6.0
116.06245	1.7
117.07027	43.3
118.07340	1.6
119.04942	14.6
119.08582	16.5
120.08101	3.4
121.06509	4.3
121.10170	6.5
123.08067	1.1
127.03925	1.4
128.06230	6.2
129.07014	26.0
130.07753	2.5
131.04912	2.1
131.08572	100.0
132.08905	3.0
133.06525	7.7
133.10112	7.0
135.04422	1.8
135.08063	5.6
135.11728	4.0
137.05975	5.2
137.09607	1.2
141.06985	3.3
142.07761	3.3
143.08568	25.2
145.06488	3.8
145.10136	29.8
145.11276	1.7
147.04408	9.3
147.08078	12.5
147.11661	4.2
149.06041	1.3
149.09628	4.8
151.11244	1.3
152.38274	1.0
155.08543	6.4
157.10124	12.8
159.08070	4.1
159.11719	3.8
161.05952	3.8
161.09616	4.9
163.07585	1.1
165.12808	1.5
167.08537	2.3
169.10120	3.7
171.08151	1.2
171.11703	5.8
173.09663	1.6
173.13176	1.2
175.03932	15.6
175.11176	2.4
177.09158	1.4
181.10149	6.9
185.13179	1.3
194.15433	4.5
195.11798	5.2
197.13255	3.2
199.11157	1.3
199.14798	1.5
207.06529	27.9
212.16550	1.1
213.16348	6.9
221.09221	1.2
223.14827	11.4
225.16246	0.9
231.17563	1.2
241.15900	9.9
258.18478	5.3
259.16959	28.4
268.18991	2.6
276.19617	8.6
277.08475	1.5
277.17874	1.4
286.20187	5.7
332.22388	1.8
333.20621	34.6
334.20972	1.6
350.23279	19.4
351.10764	8.1
351.14737	1.3
364.46875	1.0
368.08340	1.3
368.24319	58.9
369.12668	1.2
369.24432	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.9
54.59523	3.2
55.01868	4.2
55.05509	27.4
57.07083	15.8
57.27666	3.4
59.05008	3.8
64.38739	3.0
65.03931	3.5
67.05504	45.3
69.03424	8.0
69.07074	29.3
71.04985	6.4
79.05490	38.9
81.07056	59.7
83.04968	4.1
83.08613	11.1
85.06557	7.6
91.05469	65.5
93.07043	77.6
95.04971	38.0
95.08601	67.6
97.06530	14.6
97.10165	3.6
98.21439	8.6
103.05488	5.0
105.07029	100.0
106.59647	3.1
107.08595	67.7
108.65361	3.1
109.06553	16.8
109.10146	49.3
111.08134	4.4
115.05457	8.1
116.06270	3.9
117.07010	22.7
119.07848	3.3
119.08575	94.4
121.06511	13.2
121.10143	57.4
123.08087	11.5
123.11706	17.1
125.04065	3.4
128.06229	10.6
129.07028	19.4
130.07784	8.2
131.08557	72.3
133.06473	4.3
133.10133	62.4
133.11096	6.1
135.08057	19.0
135.11688	22.1
137.09625	8.3
141.06993	7.1
141.19409	3.6
142.07779	23.1
143.08548	44.2
144.09337	14.6
145.10127	72.7
146.07307	4.5
147.08049	11.4
147.11678	24.0
149.09660	12.0
155.08568	15.1
156.09344	14.2
157.10138	57.9
158.10878	12.2
159.11684	44.5
161.09619	43.4
161.13240	13.1
163.11183	8.0
163.14755	4.3
165.06970	4.2
167.08556	8.7
168.09386	6.3
169.10138	20.4
170.10942	6.9
171.11661	31.6
172.12471	4.2
173.09689	10.2
173.13257	26.8
175.11201	7.0
175.14793	22.2
179.08588	5.9
180.09250	4.1
181.10114	14.8
182.10956	4.4
183.11693	25.2
185.09612	4.4
185.13274	17.7
187.11172	4.8
187.14893	17.0
189.12744	4.0
193.10164	6.8
194.10898	7.8
195.11700	9.9
196.12572	3.7
197.13251	17.6
199.14854	14.9
201.12756	4.7
201.16510	4.1
207.11716	5.5
209.13249	26.1
210.14139	4.2
211.14838	9.3
213.12715	9.3
213.16396	9.1
219.17305	4.2
223.14626	6.9
225.16394	4.4
227.14284	23.6
239.17958	10.1
247.15092	3.5
261.75848	3.6
265.19574	6.0
269.18979	4.0
284.21588	3.5
293.19116	3.6
349.25253	10.3
367.26248	13.5
367.30197	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	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57769	1.3
53.03946	4.2
55.01870	8.0
55.05510	23.1
56.96560	4.8
57.03440	19.5
57.07066	2.8
59.05000	18.0
65.03933	3.9
67.05502	60.0
69.03426	7.5
69.06718	2.3
69.07068	38.9
71.04991	7.5
71.59045	1.8
71.59497	1.7
73.02901	1.6
79.05488	45.3
81.03403	5.8
81.07053	100.0
82.07371	1.6
83.05000	9.9
83.08620	13.1
83.16327	1.4
85.02882	3.2
85.06544	4.1
91.05476	43.9
91.15406	1.4
93.07042	42.2
95.04974	12.0
95.08603	43.3
97.02866	3.0
97.06517	13.4
97.10171	6.9
98.97583	1.8
99.08085	3.7
105.07028	40.0
107.04943	8.2
107.08592	28.7
108.08931	1.6
109.02893	3.5
109.06541	10.4
109.10149	23.6
111.04409	3.0
111.08090	7.5
113.09604	1.7
116.98611	2.1
117.07015	10.8
117.09138	3.7
119.08574	33.8
121.06517	5.5
121.10134	22.3
123.08041	7.5
123.11714	11.7
125.09630	3.5
127.07516	1.5
127.46104	1.6
129.05437	1.6
129.06989	4.4
131.08553	17.0
133.06500	1.9
133.10110	25.7
134.99646	2.1
135.08067	5.4
135.11691	10.0
137.06039	3.7
137.09602	5.8
137.13196	1.7
139.11201	3.4
141.07059	1.6
143.08580	3.2
145.06429	2.0
145.10118	18.2
147.08000	1.8
147.11685	22.6
149.09615	11.6
149.13260	8.7
151.11180	6.4
154.12181	1.4
155.08499	2.3
157.10114	5.6
159.11688	14.7
161.09637	2.8
161.13280	5.8
163.11142	8.8
165.09016	1.9
165.12785	6.1
169.10040	3.0
171.10262	2.9
171.11714	4.2
173.11859	2.1
173.13170	7.1
175.11188	3.8
175.14815	1.9
177.00676	2.0
177.12766	5.8
179.14368	3.4
181.12198	2.7
183.11671	2.1
187.11069	1.7
189.11192	2.4
189.12700	2.0
191.14285	2.7
193.12134	2.9
197.13324	3.4
205.12331	1.9
213.16330	1.5
217.15852	2.3
229.19504	2.0
237.02954	2.1
239.17874	5.2
247.20569	4.1
251.36862	1.8
257.18973	10.4
263.36887	1.5
269.17480	3.5
275.20053	50.0
293.21109	5.2
306.09113	1.8
307.09665	2.5
331.22818	4.2
349.23911	12.3
349.27914	2.2
367.11673	6.6
367.20789	15.9
367.24835	28.9
367.29886	3.4
368.12085	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.5
55.01867	14.6
55.05290	6.1
55.05513	62.3
57.03427	11.1
57.07076	7.0
59.01622	5.7
61.02912	6.0
67.05513	51.8
69.03418	11.8
69.07053	22.7
71.05009	7.7
71.17439	13.3
72.08147	6.6
79.05499	100.0
81.07065	47.9
83.04984	27.9
83.08620	14.3
85.02905	9.4
86.69319	6.7
91.05502	49.4
93.07048	48.8
95.04964	14.4
95.08612	32.5
97.06533	12.8
97.10184	32.3
105.07021	58.7
107.04936	30.6
107.08601	80.4
108.58595	5.5
109.06474	7.9
109.10169	31.7
117.07018	16.7
119.08592	45.7
121.10162	26.6
123.11739	10.5
125.09608	29.8
131.08559	26.1
133.10123	26.1
135.07993	10.4
135.40237	6.4
145.10126	21.2
147.11685	20.6
149.09615	79.9
153.09067	12.4
157.10101	6.7
159.11731	10.6
161.13222	12.2
169.12239	6.6
173.11795	7.7
173.13239	13.7
189.11232	27.2
209.15273	9.0
217.34940	5.3
227.12773	17.7
229.19409	10.9
239.17856	8.5
245.13867	6.5
257.18970	21.5
275.20090	86.1
297.12863	6.3
299.60657	5.3
349.23749	45.3
367.24826	6.1
368.31305	9.7
391.85956	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.2
55.01868	20.7
55.05513	47.8
56.96548	5.3
57.03426	21.6
57.07076	7.1
67.05505	85.3
69.03429	8.5
69.07062	39.4
71.04989	6.5
71.27976	3.8
71.59905	3.8
71.60281	5.2
72.08161	49.3
79.05489	68.7
81.03420	6.3
81.07054	91.0
82.17606	4.0
83.04996	12.5
83.08622	17.8
85.10166	4.9
91.05474	68.8
93.07045	54.6
95.04975	19.2
95.08609	54.2
97.06540	21.3
97.10168	9.3
99.08065	5.7
105.07031	65.2
107.04947	20.3
107.08600	48.9
109.06527	12.9
109.10149	37.5
111.08081	7.8
117.07015	17.6
119.08578	49.3
121.06559	4.8
121.10136	27.9
123.08067	11.4
123.11743	10.8
125.09602	8.7
129.06969	9.5
131.08557	27.0
133.10143	41.0
135.08058	9.6
135.11678	14.4
137.09558	10.0
141.07014	7.6
145.10179	25.9
147.11678	26.0
149.09630	27.1
149.13295	5.0
151.11211	8.7
155.08463	4.7
157.10162	10.8
159.11734	22.5
161.13213	8.6
163.11169	11.4
173.13329	10.2
177.12723	4.6
183.11742	6.7
189.11249	6.3
229.14352	6.2
229.19473	6.3
239.17989	12.9
245.13818	5.4
247.08286	5.4
247.20528	5.6
257.19037	18.1
258.06595	4.8
275.20059	100.0
276.20493	6.3
293.21100	13.4
296.29422	49.8
349.23764	27.1
367.11716	9.2
367.24777	55.7
367.36826	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	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
55.01873	15.8
55.05508	30.6
56.96571	3.1
57.03436	20.7
57.07076	8.6
58.06573	2.3
58.88120	2.0
63.95038	2.0
65.03938	2.7
67.05499	73.7
68.98291	2.0
69.03418	8.6
69.07062	38.9
69.90049	12.0
71.04987	6.6
71.08633	4.9
71.25978	1.8
72.08150	43.7
73.02906	2.5
79.05492	53.8
81.03405	6.4
81.07051	100.0
83.04964	12.5
83.08620	16.7
85.06529	5.3
85.10155	3.1
85.83105	2.0
91.05474	47.1
93.07040	46.1
95.04966	18.3
95.08605	49.0
97.02913	2.4
97.06529	20.6
97.10176	11.1
99.08123	4.7
105.07020	46.7
107.04971	13.7
107.05607	1.9
107.08581	38.7
109.06490	11.1
109.10142	24.1
111.08054	6.0
115.05426	2.6
116.98618	2.6
117.07024	16.4
119.04877	2.5
119.08578	36.7
121.06511	7.7
121.10136	20.6
123.08066	7.3
123.11723	10.7
125.09613	6.5
129.07005	4.3
131.08578	21.6
133.06552	2.4
133.10127	29.3
135.08067	7.7
135.11679	13.6
137.09615	9.2
137.13187	2.9
139.11165	2.7
143.08542	4.9
145.10118	17.9
147.08131	2.6
147.11665	19.9
149.01205	3.7
149.09592	14.6
149.13248	8.3
151.11159	5.6
153.09062	2.8
157.10138	6.4
159.11719	14.0
161.13229	5.2
163.11208	10.1
165.12790	7.2
169.10252	2.6
171.10210	5.1
171.11630	3.8
173.11885	2.5
173.13326	7.8
175.11154	3.1
177.12796	4.8
177.38683	2.2
183.11674	3.6
189.11182	3.7
195.13829	3.2
197.13202	2.6
201.12767	2.8
203.14398	2.8
205.16254	2.3
219.17509	2.5
229.19601	5.1
239.18204	3.3
247.20497	4.5
251.19955	3.2
257.18964	11.4
269.17441	3.3
275.20050	56.1
293.21118	8.6
296.29431	39.4
327.77219	2.5
349.23788	20.8
358.16272	3.2
367.11859	3.0
367.25006	30.6
367.36804	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	367.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25333	2.5
51.37920	2.7
51.48835	2.6
53.03939	7.2
55.01874	14.6
55.05500	16.0
56.96568	16.3
57.03431	8.1
57.07080	3.3
61.02918	6.4
65.03931	2.8
67.05510	32.5
68.99785	9.8
69.03426	36.3
69.07072	25.1
69.34612	13.1
69.35046	15.2
71.04980	7.4
73.02873	3.3
79.05494	33.5
81.03414	17.4
81.07058	100.0
83.04969	9.6
83.08613	5.0
85.02911	22.2
87.00806	12.7
91.05476	35.5
93.07047	64.7
95.04958	15.8
95.08607	49.6
97.02883	9.4
97.06519	7.1
97.10178	5.4
98.20695	5.4
99.04443	5.9
105.01854	5.7
105.07029	39.3
107.04943	9.5
107.08601	49.7
109.02875	4.6
109.06531	14.2
109.10156	35.4
111.04422	10.0
111.11696	6.8
112.50834	3.4
115.05444	6.8
117.07001	9.9
119.08566	40.2
121.06475	12.8
121.10140	20.9
123.08040	10.3
123.11692	8.0
127.03925	6.0
127.93743	3.2
128.06244	3.8
129.01802	4.5
129.07002	9.0
131.08568	24.4
133.06491	5.2
133.10123	22.6
135.08060	8.9
135.11687	22.8
137.05978	5.6
137.09592	6.6
137.13188	14.7
141.39339	3.0
143.08562	13.7
145.06488	4.3
145.10112	12.9
146.99770	3.4
147.08054	4.9
147.11685	28.6
149.09599	7.9
149.13226	15.7
151.11188	3.7
157.10101	11.4
158.61192	3.4
159.08090	4.0
159.11731	21.1
161.09573	7.6
161.13293	16.9
163.07501	4.4
163.11209	5.6
163.14871	4.1
171.08025	4.3
171.11681	8.7
173.13235	9.7
177.12735	28.0
185.09602	4.1
185.13319	3.8
187.11209	5.6
189.03998	3.8
189.12747	4.7
191.14253	7.5
199.14807	9.9
203.14326	4.8
205.12149	5.0
207.13834	4.0
209.13199	4.0
217.07372	3.7
217.15912	6.3
227.14262	10.5
229.07420	8.7
236.29440	3.3
240.90155	3.1
245.15367	25.3
247.08522	9.9
263.16388	19.0
269.10577	8.7
273.10254	3.6
275.20050	7.8
277.05832	21.0
287.11673	4.9
331.15497	7.5
331.22665	3.9
335.09283	7.6
349.16565	20.4
349.23697	3.4
352.31891	3.2
367.12366	25.0
367.17667	45.1
367.25034	5.0
385.18869	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	367.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
55.05501	2.3
56.96565	34.9
57.03426	1.5
61.02939	0.7
65.03940	0.6
67.05519	5.1
69.03426	4.5
69.07073	4.0
71.04965	0.8
71.59262	0.8
71.95271	3.3
72.96037	1.5
73.02943	0.7
74.97584	1.0
76.91466	0.7
79.05499	7.7
81.03406	1.7
81.07054	25.3
83.04972	2.0
83.08611	1.0
84.95983	0.7
85.02888	2.9
87.00835	1.1
88.94723	0.7
91.05482	4.9
93.07032	8.2
95.04943	1.9
95.08604	7.7
97.02869	1.2
97.06517	1.1
97.10158	0.8
97.96799	1.5
105.07030	6.6
107.04955	1.3
107.08562	5.6
109.06513	2.4
109.10181	5.4
110.97593	1.9
111.04424	1.6
115.97874	1.0
116.98635	0.7
117.06985	2.4
119.04929	1.0
119.08618	5.2
121.06490	1.8
121.10122	3.3
123.01221	0.9
123.08040	0.9
123.11718	1.5
127.03873	0.8
128.98581	4.1
129.07007	1.1
131.08562	3.6
133.01712	1.0
133.06535	0.8
133.10117	3.1
134.99683	1.1
135.08043	3.0
135.11635	3.9
137.02727	1.0
137.05949	1.1
137.13222	2.0
140.10591	0.6
142.07758	0.9
143.08566	2.5
145.10107	2.0
146.99652	5.3
147.03241	0.8
147.04387	2.0
147.07996	1.0
147.11682	3.8
149.09625	1.0
149.13206	2.7
151.11177	2.0
155.03778	2.0
157.10114	1.2
159.11693	3.2
161.01227	1.2
161.13264	2.3
163.11172	0.9
165.00668	0.8
165.12872	1.0
169.01732	0.8
169.05373	0.7
171.03224	1.7
171.11659	1.2
173.04834	1.3
173.09554	0.7
173.13225	1.5
177.12767	2.9
179.02121	0.8
183.03278	1.0
183.06946	0.8
185.04883	1.9
187.11163	1.4
189.04271	2.0
191.05927	1.0
195.06932	1.0
197.04909	0.9
199.06430	3.2
199.14775	0.8
203.05750	3.8
205.07487	1.3
207.06960	0.8
211.06458	1.7
213.07921	8.7
217.03714	0.7
217.07469	5.3
217.15991	0.9
221.08546	0.8
223.02744	1.4
223.08553	2.5
225.07957	3.6
226.05034	0.8
227.05644	1.0
227.14310	1.0
229.07362	3.3
231.09029	18.4
231.11205	1.4
237.04395	1.3
237.08023	1.7
239.09650	3.8
241.11177	4.7
242.08235	0.8
243.09044	5.8
245.10587	1.3
245.15337	2.6
247.08711	3.5
251.09607	4.4
253.11026	1.0
255.09029	8.7
257.10651	5.4
259.12189	8.7
260.09290	0.9
263.16446	2.0
267.09030	1.1
269.10620	36.1
270.10925	1.0
271.12286	1.4
273.10083	7.5
275.19965	1.3
279.09131	1.8
280.09842	2.1
287.11670	23.2
292.12222	2.4
297.10168	4.3
298.10852	2.6
310.13361	0.7
313.14529	0.9
315.11130	2.8
316.11893	1.5
321.17331	0.8
331.15698	10.0
331.22635	1.7
335.09177	1.1
349.16794	20.1
367.17859	100.0
368.18094	3.6
372.18420	1.7
385.18958	25.0
386.19415	1.4
390.19479	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.3
55.01869	6.0
55.05507	8.7
55.31728	1.6
57.03423	5.8
61.02913	5.4
65.45914	1.5
67.05495	4.4
68.99784	4.8
69.03079	3.0
69.03429	47.7
69.07045	1.8
70.06580	7.5
71.04989	4.9
71.12891	3.6
72.08148	2.6
73.02902	5.7
73.56166	2.0
79.05480	3.8
81.03425	29.3
81.07040	4.8
83.04984	3.0
83.08615	8.5
84.08124	5.2
85.02905	100.0
86.09695	6.9
87.00830	45.7
91.05478	14.2
93.07053	4.1
95.04960	3.1
95.08582	3.6
97.02888	28.5
98.97576	2.5
99.04446	14.4
105.01864	55.7
105.07025	3.5
107.04955	2.3
107.08562	2.3
109.02879	21.7
109.10117	2.5
111.04435	1.8
119.08527	2.0
120.08109	2.4
127.03918	71.1
131.04926	2.5
132.05658	2.1
135.04424	1.9
145.04985	16.6
153.74428	2.4
159.02917	3.8
161.06017	2.1
163.03931	4.8
165.05119	1.6
167.07050	5.6
169.04979	1.8
173.11754	3.0
176.06065	1.9
177.06958	2.4
188.07068	1.9
189.03955	4.1
201.47336	2.0
203.10645	4.4
205.06490	4.1
207.06512	3.6
213.03918	2.9
221.05988	2.5
222.06654	3.3
231.04938	16.8
232.05377	2.1
233.05988	2.5
235.07651	2.6
236.04633	3.3
249.05760	3.1
250.06285	5.7
251.06882	3.5
261.05273	1.9
262.06262	5.0
264.04214	3.5
278.05859	9.3
279.06546	6.4
281.04465	3.2
295.05862	4.4
306.05313	4.1
307.05829	3.6
308.06711	3.7
311.09259	2.3
323.09097	14.1
324.06137	7.7
335.05582	4.3
339.08740	13.7
367.08081	30.8
367.12125	1.4
368.08203	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51981	2.6
51.92618	2.2
53.03937	11.4
55.01870	14.0
55.05491	10.4
56.96555	3.4
57.03425	10.1
61.02919	7.1
65.03931	3.2
67.05487	8.1
68.99775	7.1
69.03071	4.4
69.03423	61.0
69.07037	2.6
69.70014	15.0
70.06593	15.6
71.04967	9.3
71.53706	2.6
72.08147	6.0
73.02920	4.8
79.05482	11.6
81.03410	32.9
81.07034	9.5
83.04956	6.6
83.08607	9.9
84.08122	12.2
85.02900	100.0
86.09679	14.5
87.00829	51.6
91.05482	27.2
93.07021	11.7
95.04920	3.1
95.08604	5.6
97.02891	36.3
97.06494	5.0
98.97611	3.9
99.04441	18.3
103.05379	3.4
105.01856	69.5
105.07016	9.9
107.04932	7.2
107.08585	8.9
109.02872	25.6
109.06482	2.8
109.10123	3.5
110.07177	5.2
111.04435	3.5
116.98626	3.5
117.01804	3.5
119.08570	5.6
120.08102	5.5
121.06521	6.7
121.08488	3.7
125.05965	4.2
127.03908	80.2
129.10211	5.1
132.95793	3.7
133.06491	5.2
133.10144	4.9
135.08025	4.8
135.23511	2.8
137.05989	3.2
145.04977	20.1
147.11662	5.1
149.09624	4.3
150.96832	3.8
152.06163	3.0
153.05437	5.0
158.62738	2.4
158.97328	4.0
159.02922	4.2
159.11696	4.5
165.07018	4.8
165.12659	3.5
167.07033	13.2
167.08391	3.3
169.04961	12.0
173.02335	4.8
175.11192	3.6
176.06142	4.5
176.98424	6.7
177.05496	4.4
177.06982	7.3
178.07712	3.0
189.03941	2.8
189.06958	3.6
189.12709	5.9
193.12207	7.8
194.07214	4.2
195.08073	3.1
200.98592	3.1
205.06544	14.0
206.05672	4.2
207.06422	7.1
208.05116	5.2
209.11636	3.4
213.03935	3.7
217.12260	3.9
221.05836	7.0
222.06844	10.3
223.07570	6.5
225.05562	3.4
231.04880	22.9
232.05219	3.5
233.05978	8.2
235.07584	3.9
236.04646	11.8
237.02754	3.8
237.05408	4.2
247.03839	3.1
249.05540	11.2
250.06299	16.3
251.06982	12.2
253.04799	4.4
261.05106	3.4
262.06198	20.1
263.06912	3.8
264.04156	12.0
265.01413	3.9
265.04904	3.8
277.05124	3.3
278.05658	22.9
279.06406	21.0
281.04425	7.8
285.18460	2.9
292.03729	4.5
293.04239	4.5
295.06042	8.7
296.06631	4.2
306.05270	11.8
307.06088	15.0
307.12109	3.0
308.06900	14.2
309.03885	6.3
311.09186	5.0
322.43130	2.5
323.05475	6.7
323.09052	49.5
324.06235	21.1
324.09525	4.9
335.05591	14.3
335.08945	3.0
339.08533	30.2
367.08078	91.7
367.12616	6.8
368.08545	5.2
383.59961	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	11.4
54.44791	7.6
55.01883	9.5
55.05503	49.1
56.96544	22.7
57.03430	9.8
60.04524	11.3
63.46733	7.4
67.05487	14.2
69.03414	34.4
69.07057	15.9
70.06597	62.3
71.04958	9.7
71.59639	9.3
72.08141	30.4
73.02940	9.9
79.05473	9.8
81.03406	32.1
81.07028	12.8
83.04944	15.8
83.08612	85.1
84.04480	25.9
84.08134	100.0
85.02892	56.8
86.09686	65.6
87.00804	24.0
91.05473	11.5
93.07050	9.4
95.08574	11.2
96.04503	11.4
97.02866	29.4
97.06564	9.8
98.97577	29.2
99.04424	13.5
100.03979	9.1
101.09672	52.5
105.01856	21.5
105.07002	22.4
107.08575	7.9
109.02865	25.5
110.07139	13.8
116.98600	22.7
119.04947	9.5
120.08112	21.4
125.10693	8.0
127.03900	34.2
129.10243	42.4
131.04887	9.6
136.15236	9.7
139.08655	8.8
145.10320	8.6
146.04472	10.3
146.05956	18.4
147.04384	11.5
158.99597	11.6
163.03886	14.8
165.01843	27.5
167.02612	9.7
181.04866	11.0
188.07021	11.2
199.10793	8.4
205.04948	11.5
237.02925	11.1
242.45505	8.7
246.56718	9.0
250.06232	25.2
251.06932	10.1
278.05612	21.2
279.06607	10.8
303.04807	27.7
305.15546	16.5
307.05923	15.1
323.09048	22.1
324.06165	12.7
339.08594	42.6
361.03821	14.0
367.08038	67.1
367.14236	38.9
367.19342	23.0
374.38297	10.3
385.08890	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	367.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01875	3.9
55.05507	1.6
57.03442	6.4
57.07071	3.0
61.02922	6.5
67.05476	1.7
68.99793	3.3
69.03430	46.0
69.07061	0.8
70.06583	2.1
70.53478	1.8
70.53878	1.0
71.01346	0.8
71.04987	3.3
73.02918	4.4
79.05481	1.2
81.03419	19.8
83.01348	0.9
83.04978	1.6
84.08141	0.9
85.02906	100.0
85.06554	0.9
86.09707	2.1
87.00832	55.7
87.04457	2.3
91.03983	1.0
91.05498	2.6
92.05369	0.6
93.07047	0.7
95.05009	0.9
95.08625	1.4
97.02898	26.1
97.06522	0.9
98.97571	1.0
99.04454	9.1
101.02400	1.4
105.01867	72.7
105.07016	2.0
107.08584	1.1
109.02879	23.9
111.04451	0.7
115.03980	0.9
119.10702	3.1
120.08139	0.9
121.10148	0.8
123.02920	1.1
127.03920	65.4
129.01860	2.3
131.04926	0.8
131.08604	0.9
145.04953	19.5
147.02974	1.3
153.05515	1.1
159.02922	4.2
171.02887	1.3
174.13022	0.8
175.11220	0.8
189.04001	2.5
213.03989	2.7
225.37233	0.8
231.04976	9.2
232.05287	0.8
249.06049	0.8
250.06337	1.2
278.05795	0.8
279.06607	0.7
289.67508	0.7
339.08801	1.6
367.08276	3.3
385.09253	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	11.4
54.44791	7.6
55.01883	9.5
55.05503	49.1
56.96544	22.7
57.03430	9.8
60.04524	11.3
63.46733	7.4
67.05487	14.2
69.03414	34.4
69.07057	15.9
70.06597	62.3
71.04958	9.7
71.59639	9.3
72.08141	30.4
73.02940	9.9
79.05473	9.8
81.03406	32.1
81.07028	12.8
83.04944	15.8
83.08612	85.1
84.04480	25.9
84.08134	100.0
85.02892	56.8
86.09686	65.6
87.00804	24.0
91.05473	11.5
93.07050	9.4
95.08574	11.2
96.04503	11.4
97.02866	29.4
97.06564	9.8
98.97577	29.2
99.04424	13.5
100.03979	9.1
101.09672	52.5
105.01856	21.5
105.07002	22.4
107.08575	7.9
109.02865	25.5
110.07139	13.8
116.98600	22.7
119.04947	9.5
120.08112	21.4
125.10693	8.0
127.03900	34.2
129.10243	42.4
131.04887	9.6
136.15236	9.7
139.08655	8.8
145.10320	8.6
146.04472	10.3
146.05956	18.4
147.04384	11.5
158.99597	11.6
163.03886	14.8
165.01843	27.5
167.02612	9.7
181.04866	11.0
188.07021	11.2
199.10793	8.4
205.04948	11.5
237.02925	11.1
242.45505	8.7
246.56718	9.0
250.06232	25.2
251.06932	10.1
278.05612	21.2
279.06607	10.8
303.04807	27.7
305.15546	16.5
307.05923	15.1
323.09048	22.1
324.06165	12.7
339.08594	42.6
361.03821	14.0
367.08038	67.1
367.14236	38.9
367.19342	23.0
374.38297	10.3
385.08890	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	366.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01873	6.1
55.05499	2.6
56.96560	1.1
57.03434	5.4
60.04512	4.5
61.02932	6.9
65.06322	0.9
66.43937	1.2
68.99786	2.4
69.03429	39.0
69.07047	1.2
70.06578	2.4
71.01382	1.3
71.04987	6.4
71.59299	1.2
73.02926	5.6
79.05474	2.0
81.03417	25.1
81.03828	0.9
81.07049	2.4
82.06586	1.2
83.04941	1.4
83.08656	1.2
84.08134	1.9
85.02901	100.0
86.03249	1.5
86.09696	3.1
87.00828	43.4
87.05593	1.7
91.03954	1.9
91.05467	2.3
93.07036	1.7
95.04961	1.6
97.02886	32.3
98.97606	1.6
99.04451	13.0
105.01863	86.3
105.07036	2.4
108.04448	1.9
109.02879	25.7
110.07129	1.3
116.98598	1.2
117.01813	1.7
117.07039	1.2
119.04891	1.3
120.08115	7.3
123.02909	1.2
127.03913	73.2
129.01823	2.7
129.10211	1.6
145.04961	31.9
147.02872	2.6
156.34189	1.3
159.02905	11.9
160.11087	1.3
162.09172	2.7
189.00800	1.3
189.03961	2.8
191.03403	4.4
192.03784	6.2
207.11230	6.5
213.03984	4.0
219.27779	1.2
231.04997	23.3
249.05972	7.1
250.06488	1.2
339.08582	1.9
366.09106	5.2
366.15475	4.8
366.28677	1.9
367.08014	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	366.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01854	1.0
55.05512	1.1
56.96547	1.0
57.03435	0.7
60.04524	22.6
67.05491	1.2
69.03424	1.9
69.07076	0.7
70.02937	2.0
70.06577	2.2
70.93214	1.4
70.93554	0.7
72.04514	1.3
72.08143	1.5
79.05515	1.0
81.03411	1.3
81.07055	2.3
83.04957	0.7
84.04484	0.7
84.08116	2.3
85.02930	3.7
85.06553	1.0
86.09707	70.6
87.05598	18.7
87.10017	0.9
91.05458	2.3
93.07038	2.7
95.04946	1.4
95.08583	1.2
97.02878	1.1
97.06534	1.2
98.97597	0.9
103.05447	1.8
105.07027	1.8
106.07350	0.7
107.08593	1.2
109.10155	3.1
111.04436	1.1
112.11240	0.7
117.07045	0.8
118.06532	1.8
119.07332	0.8
119.08589	0.9
120.08108	43.5
121.06483	1.5
121.08416	0.6
121.10089	0.9
127.03925	2.1
128.10732	8.7
131.04884	1.2
132.10178	1.2
137.05930	1.2
144.08086	2.2
145.10181	0.7
147.04369	1.0
160.11929	0.6
161.90697	0.6
162.09175	3.5
163.11246	0.9
164.11620	0.6
166.08647	13.6
169.12267	2.0
173.12863	100.0
174.13197	0.7
177.05482	0.8
177.79103	0.6
201.12354	24.6
207.11316	15.9
230.15398	2.7
235.10857	3.2
279.17099	1.5
292.19113	5.2
339.08762	0.8
361.03793	3.1
366.15991	1.2
366.18121	0.7
366.22855	12.0
366.27530	1.2
367.08115	2.0
367.16113	0.6
379.05048	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0209
Annotation	Unknow
Peak:m/z	Relative Intensity
60.98457	0.1
61.27057	0.1
69.45702	1.1
77.33797	0.1
82.99883	0.2
88.88419	0.1
101.00890	0.4
116.98663	0.1
119.01919	6.7
134.99837	0.6
137.01949	0.3
137.02951	4.3
140.98833	0.2
153.00995	0.8
158.99898	0.4
177.00943	20.1
178.01042	0.8
179.01070	0.2
183.00003	0.4
193.04102	0.6
195.01988	0.7
200.02626	0.2
201.00893	0.9
217.04076	2.9
217.06084	0.2
218.03716	0.2
219.01997	24.2
220.02083	1.4
221.02116	0.3
225.00851	2.1
225.02705	0.2
232.94992	0.2
234.99934	0.4
235.55609	0.2
236.00096	0.4
236.99788	0.4
238.00009	0.2
242.03568	0.4
243.01953	5.0
253.01230	0.2
254.01048	0.2
255.00974	0.2
256.95114	0.3
258.99954	0.5
260.00217	0.8
260.04611	0.4
261.03046	100.0
262.00061	0.3
262.03159	4.0
263.03220	0.6
264.99222	0.2
265.99094	0.2
266.03659	0.4
275.04666	0.5
277.00995	1.2
278.01132	1.7
279.00958	1.0
280.00873	0.4
282.99963	1.1
284.00095	1.7
284.04617	3.2
284.99808	0.6
285.04837	0.2
292.98987	0.2
301.01025	2.6
302.01151	5.3
303.00900	1.3
304.00751	0.3
305.00937	0.2
319.01932	0.3
320.02219	0.5
324.93985	0.2
325.00436	0.1
326.01074	0.3
342.02277	0.2
342.95193	0.5
343.02078	1.2
344.02182	2.2
360.99762	0.2
361.03671	0.2
362.03354	0.9
367.02029	0.9
385.03174	4.0
386.03339	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.3
55.01866	9.2
55.05495	3.2
56.85937	0.9
57.03434	5.5
61.02928	6.6
63.12369	0.9
65.92873	0.8
68.99782	3.3
69.03429	38.3
69.37589	9.4
71.01340	0.8
71.04998	4.8
72.27982	1.0
73.02903	6.0
81.02973	1.4
81.03420	24.6
81.07070	1.6
83.01325	1.3
83.04969	1.0
83.08627	1.7
85.02901	100.0
86.03239	1.7
87.00825	45.7
87.04492	1.0
91.03934	1.0
91.47127	0.9
93.07035	1.5
95.08571	1.3
97.02280	2.0
97.02887	31.7
97.03508	1.7
97.83890	0.9
99.04453	14.0
103.04013	1.1
105.01861	56.1
105.07021	1.3
107.08605	1.2
108.04450	2.8
109.02873	25.6
110.03194	0.9
111.08087	1.3
117.01827	3.7
126.05509	2.4
127.03912	62.5
129.01823	4.4
139.07523	1.3
141.09065	1.3
145.04947	30.0
147.02846	1.3
159.02870	12.6
165.75125	0.9
182.38675	0.9
189.03957	2.4
193.37317	0.9
205.54756	0.9
209.11723	3.3
213.03979	2.3
231.04984	15.4
249.06071	3.7
262.15198	1.1
269.13757	1.1
279.06506	0.9
295.11716	4.1
316.24567	1.0
323.09125	1.9
349.14548	1.0
367.08008	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	365.3049
Annotation	Hierridin B
Peak:m/z	Relative Intensity
50.08949	0.2
55.01861	0.3
55.05509	3.5
57.07078	3.7
60.64976	0.2
61.89356	0.2
65.03947	0.5
67.05508	2.6
68.99764	0.4
69.06722	0.2
69.07072	3.5
71.08626	2.2
76.02817	0.2
79.05486	0.3
81.07066	0.8
81.85124	0.2
83.04983	0.2
83.08626	1.7
85.10191	0.9
91.05482	0.4
93.07021	0.3
95.04967	2.5
95.08617	0.4
97.10168	0.9
105.07001	0.3
107.08607	0.3
109.06505	0.3
111.04477	1.0
121.10102	0.3
123.04427	100.0
124.04772	0.7
126.57311	0.2
137.05981	3.2
143.24835	0.2
144.64203	0.2
151.07536	0.6
159.72855	0.2
164.07036	0.4
165.09102	0.4
168.73476	0.2
173.57315	0.2
179.10744	0.2
180.50752	0.2
193.12233	0.2
203.05183	0.3
230.58376	0.2
235.16968	0.2
240.14763	0.2
249.18585	0.3
259.91650	0.2
263.20016	0.3
277.21640	0.2
280.12579	0.2
291.23093	0.2
302.20224	0.2
305.24832	0.3
347.29446	15.2
365.10645	0.5
365.26318	0.3
365.30548	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	366.176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37229	1.5
53.03947	6.1
55.01874	6.0
55.05499	4.1
57.03437	7.5
57.56904	1.7
61.02922	7.8
68.99777	4.0
69.03431	35.6
70.91776	4.3
71.04995	5.3
73.02921	8.1
76.64494	1.6
81.03419	24.1
81.07069	1.9
81.55510	1.6
83.05004	2.3
85.02907	100.0
87.00832	45.6
91.03982	2.3
91.05478	1.9
97.02284	2.0
97.02903	32.1
99.04462	12.5
99.55492	1.6
105.01171	3.6
105.01867	67.1
108.04471	3.1
109.02880	25.3
111.08154	2.4
117.01926	2.0
126.05506	2.1
127.03917	74.1
129.01836	3.8
141.09117	1.6
145.04964	39.0
147.02911	3.3
159.02928	16.1
189.03952	2.1
189.48006	1.7
200.06432	1.6
209.11783	3.8
213.04042	4.1
231.05006	22.3
249.06076	5.3
295.11691	3.9
314.64285	1.8
366.09109	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2685
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
55.01854	0.7
55.05503	2.2
57.07073	2.2
67.05500	2.7
69.06781	0.3
69.07058	3.0
71.04974	0.4
71.08615	0.9
79.05490	1.5
81.03416	0.4
81.07057	2.8
83.04949	0.5
83.08591	0.9
85.06515	1.1
91.05461	1.1
93.07030	2.8
95.04956	0.8
95.08612	2.6
97.06499	1.0
105.06999	1.4
107.08595	2.6
109.06519	1.9
109.10120	1.0
111.04408	1.2
111.08039	0.6
117.07019	0.5
119.08560	1.2
121.10098	1.0
123.08055	5.3
124.08810	1.1
125.05968	1.3
131.08521	0.4
133.10152	0.7
135.08038	1.7
135.11650	1.0
137.05942	1.0
137.09630	0.8
139.07512	1.0
147.11674	0.7
149.09569	0.5
151.07542	4.3
152.08321	4.0
153.12732	0.6
161.13281	0.4
163.07513	0.4
163.11195	0.3
164.08308	0.6
165.07776	0.7
165.09122	14.0
165.12715	0.6
166.09818	1.0
175.11139	0.7
177.09093	0.7
177.12675	0.5
179.10632	2.7
179.14290	0.4
191.10655	0.3
193.12222	1.4
193.15723	0.4
195.13759	1.0
203.05240	0.5
207.13805	0.3
208.14624	1.6
209.15442	0.5
219.13788	0.6
221.15352	2.7
221.18832	0.4
235.16959	0.7
249.18480	0.8
263.20065	1.3
301.20123	0.5
305.24780	4.6
306.25015	0.4
319.26321	5.1
347.25803	46.6
348.26126	2.7
365.26862	100.0
366.27261	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	365.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59634	2.1
55.05496	6.5
57.07067	7.5
58.27743	1.8
67.05507	6.2
69.07063	6.9
71.08617	3.2
71.60011	2.3
79.05476	3.4
81.03414	4.1
81.07055	9.4
83.08629	6.5
93.07072	4.4
95.04983	3.1
95.08597	7.0
97.10146	2.4
105.07076	2.9
105.37678	1.9
107.08550	3.6
109.10159	3.6
119.08592	2.4
121.10130	3.5
123.04426	100.0
128.64290	2.0
137.06004	2.2
149.13327	2.3
157.45511	2.1
197.96118	2.3
203.05188	4.8
225.76309	2.0
235.14024	1.9
347.29413	26.5
365.10541	9.1
365.26981	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.0
57.07061	1.7
67.05500	1.4
69.07058	0.9
70.05385	2.7
79.05480	0.6
81.07053	2.2
85.06562	0.6
91.05482	1.0
93.07031	1.6
95.08604	2.2
98.21412	0.7
107.08589	0.8
109.06522	1.3
109.10088	0.6
119.08538	0.6
121.10126	0.8
123.08054	4.1
124.08858	1.3
125.05965	0.6
129.02626	0.4
133.10072	0.6
135.08064	0.9
137.05991	0.7
139.07497	0.6
151.07568	3.7
151.11169	0.6
152.08315	7.5
165.09113	9.5
166.09863	0.8
178.81609	0.5
179.10727	2.1
194.13062	3.5
199.44656	0.5
203.05290	1.2
207.13832	1.5
235.17030	0.5
249.18451	0.8
263.20065	1.6
318.51343	0.5
319.26321	1.0
347.25824	16.6
348.26218	1.0
365.10678	2.1
365.26880	100.0
366.27158	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	365.2685
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.05519	0.9
55.43008	0.1
57.07072	2.3
63.55135	0.1
65.65749	0.1
67.05489	0.8
69.03391	0.2
69.07062	0.9
70.73451	0.6
70.92739	0.2
71.04965	0.2
79.05475	0.6
81.07059	1.3
83.04968	0.4
83.08611	0.4
85.06551	0.8
91.05436	0.9
93.07045	0.8
95.04967	0.5
95.08606	1.1
97.04159	0.1
97.06550	0.2
97.10175	0.2
99.08114	0.2
105.07011	0.7
107.08576	1.0
109.06535	1.4
109.10143	0.7
111.04480	0.2
111.08079	0.2
119.08585	0.7
121.06480	0.3
121.10130	0.5
123.08064	3.1
124.08852	1.9
125.06004	0.2
131.08575	0.4
133.10127	0.6
135.08040	0.6
135.11710	0.3
137.05960	0.7
137.09598	0.3
139.07574	0.4
143.08568	0.2
145.10123	0.4
147.11703	0.2
149.09596	0.3
151.07541	3.7
151.11206	0.2
152.08324	7.4
157.10143	0.5
159.11703	0.3
161.09589	0.4
161.13329	0.2
163.11198	0.2
163.14822	0.2
165.09106	10.3
165.12787	0.3
166.09950	0.4
175.11201	0.2
177.09171	0.3
177.12746	0.4
179.10683	2.1
181.12228	0.3
185.13278	0.2
193.10059	0.2
193.12086	0.3
194.13033	3.9
195.11670	0.2
195.13774	0.3
196.08588	0.2
197.13196	0.2
200.62357	0.2
203.05276	0.3
207.13783	1.9
221.13306	0.2
221.15327	0.3
235.16962	0.6
249.18504	1.0
263.20074	2.1
277.21646	0.4
296.29532	0.6
319.26407	1.1
335.15015	0.2
336.20154	0.2
347.25800	18.0
348.26154	0.7
365.26855	100.0
366.27222	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	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88638	1.5
53.03932	5.1
55.01875	11.4
55.05265	1.8
55.05511	30.8
56.96556	1.6
57.03434	16.3
57.07069	1.6
65.03928	2.1
67.05502	48.4
69.03430	13.6
69.07063	39.9
71.04989	2.3
71.60390	2.1
79.05056	2.3
79.05489	40.9
81.03403	6.1
81.06580	2.5
81.07049	38.4
81.78671	1.4
83.04987	10.0
83.08620	11.3
91.05476	37.4
93.07037	31.0
95.04963	13.6
95.08596	19.2
97.02896	16.4
97.06518	8.3
97.10165	16.3
97.30877	1.2
105.07031	28.0
107.04956	13.8
107.08586	26.3
109.06495	5.8
109.10149	21.0
111.04372	1.4
111.08062	5.8
115.05416	1.9
117.07014	11.2
119.04939	1.6
119.08579	15.9
120.51955	1.4
121.06486	6.4
121.10146	9.5
123.08054	6.3
123.11701	1.8
125.09622	17.5
128.06230	3.0
129.06990	5.8
131.08566	14.6
133.06471	6.3
133.10123	19.4
135.08066	8.7
135.11649	4.5
137.09589	5.0
141.06978	1.9
143.08525	4.0
145.10135	9.1
147.08049	5.9
147.11691	4.3
149.09619	7.3
149.13225	5.7
151.11185	10.0
153.10748	1.5
157.10117	3.8
159.08102	3.4
159.11642	3.5
161.09592	5.5
163.11131	3.0
165.09065	3.1
171.11644	3.5
173.13231	1.6
175.11148	4.7
177.09035	3.1
177.12816	1.9
183.11635	1.6
185.13187	1.6
189.11197	8.5
189.12646	1.8
206.08673	1.5
223.13264	30.3
227.18021	1.8
245.19051	4.1
253.14346	2.3
255.17328	3.0
263.19977	3.6
269.13644	1.7
273.18494	24.7
291.19531	100.0
292.19833	2.3
333.97012	1.8
365.10437	5.5
365.23172	67.7
365.26547	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	365.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.0
57.03423	8.4
57.07069	7.2
67.05495	34.7
67.29021	4.9
69.03432	6.7
69.07075	10.1
71.60645	9.7
79.05470	17.4
81.07053	30.3
83.08597	11.1
91.05472	29.9
92.68584	5.7
93.07044	31.5
95.04962	34.0
95.08599	37.4
97.06541	9.7
105.07031	40.9
107.08589	27.8
109.06502	10.5
109.10168	16.5
109.97007	6.8
117.07013	11.9
119.08584	38.8
121.10138	12.4
123.08130	8.2
128.06239	10.9
129.06955	11.2
131.08566	14.7
133.10117	19.0
135.11705	7.8
142.07779	17.6
143.08543	31.0
144.09329	12.2
145.10121	25.2
147.11670	9.7
155.08530	11.6
156.09341	14.4
157.10106	55.9
159.07985	6.6
159.11679	23.6
161.13255	6.7
167.08545	9.3
169.10123	23.1
170.10922	8.1
171.11653	25.3
173.13242	9.1
181.10007	6.8
182.10898	9.0
183.11699	25.6
185.13275	59.6
187.11124	10.4
187.14809	10.1
193.10062	10.7
194.10884	11.7
195.11731	26.0
197.13266	15.8
199.14796	6.5
203.05186	7.2
205.15753	8.1
206.10808	7.6
207.11549	10.4
209.13240	19.1
210.13977	7.6
221.13251	22.7
223.14868	9.7
225.12695	6.7
225.16405	7.5
233.13184	12.1
235.14760	8.1
237.16310	10.2
241.16000	7.1
247.14708	8.0
249.16373	12.6
251.17986	9.2
265.99023	7.6
273.16272	6.9
347.23257	29.4
365.10504	16.9
365.24600	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	14.4
55.05509	52.9
56.96551	15.6
57.03420	25.5
57.07079	7.3
59.01517	6.0
62.72918	6.0
66.90295	6.6
67.05496	70.7
69.03413	16.4
69.07069	49.6
70.06572	7.6
71.04993	10.9
71.59800	7.2
75.04539	6.5
77.03899	7.1
79.05486	78.6
79.09443	4.9
81.03395	11.5
81.07053	80.7
83.04971	16.5
83.08621	14.9
84.20640	5.6
86.06046	7.6
91.05476	100.0
93.07045	64.2
95.04971	21.8
95.08607	41.2
97.02863	13.3
97.06499	15.6
97.10145	20.7
105.07013	71.7
107.04946	27.6
107.08566	42.7
109.06508	26.3
109.10135	18.8
115.05433	11.3
117.07026	54.1
119.08575	63.1
121.06500	14.7
121.10155	29.9
123.08061	10.3
125.09607	15.1
128.06215	24.4
129.07005	32.1
130.07706	8.2
131.08559	90.6
132.55370	6.6
133.06483	11.9
133.10147	28.1
135.08028	18.1
135.11662	20.6
137.09618	8.9
139.11046	6.0
141.06995	9.0
142.07751	11.0
143.08556	73.2
145.10085	72.4
147.08040	18.5
147.11659	17.6
149.09650	14.2
151.07487	6.6
155.08488	6.9
157.10121	31.7
159.08125	7.6
159.11670	26.0
161.09636	22.9
161.13297	6.4
163.11171	8.4
169.10103	16.0
171.11656	19.5
175.11134	16.3
179.08617	6.8
181.10071	9.4
183.11667	13.3
185.04297	10.7
189.11118	7.3
195.11638	21.4
199.11285	7.1
203.05338	20.7
217.15932	7.1
223.13232	17.9
227.17877	12.5
237.16376	13.6
255.17410	21.0
273.15701	9.8
273.18475	67.7
291.19440	49.9
333.09857	14.9
347.22086	14.9
347.25897	8.4
365.10114	50.3
365.19635	13.6
365.23282	27.4
366.10907	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	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57701	3.1
54.37476	3.2
55.01842	6.7
55.05511	18.2
56.96566	7.0
57.03435	100.0
57.07055	6.0
67.05228	3.5
67.05508	48.5
69.03412	8.5
69.07063	26.7
69.26020	20.5
69.26447	17.2
71.04987	4.7
72.93784	7.5
79.05495	45.2
81.03403	8.2
81.07056	93.6
83.04974	10.9
83.08624	7.0
85.06535	10.0
90.94835	3.8
91.05480	45.8
93.07047	34.0
95.04973	7.3
95.08599	43.9
97.06519	11.5
98.20792	7.7
99.08073	4.6
99.29254	3.9
105.07027	41.1
107.04956	6.1
107.08582	28.3
109.06515	28.6
109.10130	12.3
111.08089	7.6
117.07034	8.3
119.08557	25.8
121.06509	8.4
121.10140	14.9
123.08093	6.7
123.11726	4.5
125.05983	5.6
127.07552	80.0
129.06987	5.7
131.08563	14.6
133.06500	5.4
133.10104	10.5
135.08058	8.0
135.11649	7.0
137.09660	6.1
140.96101	3.3
141.06911	3.6
143.08557	5.7
145.10083	10.3
147.11694	18.6
149.09583	3.4
149.13280	4.4
151.65509	3.5
157.10143	9.0
159.11664	6.1
165.12767	8.9
171.11673	7.9
173.13177	5.9
174.67004	4.0
203.05229	5.5
217.15904	6.3
235.17055	5.0
263.19925	6.2
271.06320	14.3
273.18558	28.0
291.19534	59.6
305.80365	3.7
323.13443	4.3
325.07748	3.6
329.34836	3.7
347.12958	17.6
365.10403	9.0
365.14297	5.2
365.23218	52.1
365.27261	7.2
365.33405	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	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.7
53.29486	1.4
55.01877	7.0
55.05259	2.0
55.05510	35.6
56.96574	2.4
57.03428	10.9
57.07058	1.3
67.05500	35.7
69.03419	13.8
69.07063	45.0
70.72906	1.8
70.73260	4.3
71.04990	2.5
79.05053	2.5
79.05487	33.4
81.03395	5.6
81.07047	29.4
83.04974	13.9
83.08607	11.4
85.06548	1.5
89.37592	1.4
91.05479	20.1
93.07035	21.6
95.04955	10.0
95.08603	13.9
97.02882	18.5
97.06506	3.0
97.10163	18.5
97.30239	1.3
105.07021	15.5
106.14006	1.3
107.04921	7.3
107.08580	16.2
109.06508	4.5
109.10150	14.1
111.08054	3.3
117.07015	7.7
119.08575	13.1
121.06540	2.1
121.10172	6.8
123.08067	4.4
123.11678	1.6
125.09615	19.1
128.06332	1.4
129.07001	3.6
131.08543	9.0
133.06461	4.4
133.10117	7.6
135.08018	4.7
135.11705	4.0
137.05963	10.6
137.09624	3.0
143.08543	2.8
145.06468	2.0
145.10078	6.8
147.08038	5.8
147.11723	2.2
149.09653	2.7
149.13255	3.2
151.11156	1.5
153.09169	2.5
157.10118	3.2
159.11652	3.8
161.09604	4.3
163.11214	2.8
165.09088	2.5
171.10182	1.5
171.11623	2.1
175.11217	3.3
177.12756	2.1
185.04134	2.1
185.13210	1.4
187.11159	1.6
189.11188	7.8
195.13806	2.6
203.05190	4.0
205.12236	2.6
223.13271	35.8
245.19099	2.2
255.17375	1.6
263.20023	2.9
273.18384	13.2
291.19525	100.0
365.10287	7.9
365.23190	38.1
385.69666	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58861	3.0
53.03942	5.7
55.01869	9.5
55.05508	44.6
56.96557	7.5
57.03434	21.5
57.07049	4.8
65.03944	5.6
67.05499	57.9
69.03426	10.4
69.07063	19.8
71.04982	6.8
71.59353	3.9
71.59751	4.4
76.81889	3.3
79.05489	66.3
81.03412	4.6
81.07050	67.8
83.04984	10.2
83.08604	13.5
85.02906	3.7
85.06519	6.2
87.82899	3.1
91.05476	100.0
92.05787	3.0
93.07035	75.3
95.04970	15.3
95.08598	41.8
95.09162	4.0
96.44247	2.9
97.06534	13.2
97.10169	13.1
99.08127	4.5
103.05501	4.5
105.07024	72.6
107.04955	13.8
107.08585	34.8
109.06501	14.8
109.10163	15.2
111.08102	4.4
115.05471	9.0
116.06235	4.4
117.07008	49.7
119.08581	38.5
121.06492	8.8
121.10155	20.6
123.04442	3.1
123.08070	11.1
123.11642	5.0
125.09679	4.7
128.06192	26.4
129.06998	28.5
130.07759	8.8
131.08563	87.1
131.09517	6.6
133.06483	8.1
133.10110	27.6
135.08044	15.2
135.11700	13.6
137.09604	6.3
141.07010	11.4
142.07771	6.2
143.08546	81.8
145.06494	5.6
145.10118	85.5
145.11267	4.1
147.08025	15.2
147.11684	12.2
149.09631	8.4
150.10858	3.3
155.08572	9.3
157.10104	29.4
159.08092	4.6
159.11685	21.8
161.09663	15.5
161.13266	5.0
163.11209	4.9
167.08591	6.4
169.10161	12.7
171.11700	21.6
173.09659	4.8
173.13266	4.0
175.11220	7.3
177.12714	3.5
180.09282	3.2
181.10118	11.5
183.11702	7.9
185.04311	3.8
185.13220	7.3
195.11705	19.6
197.13202	3.3
199.11287	4.3
199.14871	4.9
203.05284	6.2
209.13329	3.9
217.07280	3.6
227.18030	6.2
237.16455	15.6
245.18982	9.4
255.17403	20.5
258.83282	3.9
259.20538	4.9
269.10617	5.0
273.18466	48.8
285.10123	5.0
291.19537	7.0
304.71768	3.7
347.15399	4.6
347.22256	24.7
365.10373	13.2
365.19250	9.8
365.23621	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	365.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11706	2.4
56.05021	3.8
56.96561	10.3
60.53786	1.9
67.05495	3.0
68.05016	4.5
69.03423	17.0
69.06725	2.9
69.07069	33.3
69.85664	12.6
70.06579	7.0
72.04500	3.8
72.08150	4.3
73.02914	2.8
74.02432	9.6
81.03412	16.4
82.02917	5.0
82.06574	3.1
83.04974	6.0
84.04487	10.3
84.08136	14.6
85.02898	6.3
86.09703	79.1
86.10238	4.6
87.08135	2.5
88.03978	5.8
89.03919	5.0
91.05479	3.0
94.02941	3.2
96.04504	19.5
96.08115	2.7
97.02874	3.2
98.06061	2.4
98.09688	10.8
98.97576	7.4
99.04476	14.1
99.05574	3.8
100.03983	4.3
101.02348	3.6
102.05553	10.3
104.10748	38.3
107.04929	2.5
112.03950	2.7
112.07625	2.5
114.05495	3.2
114.09175	2.8
116.10729	7.8
116.98603	7.4
118.04996	6.6
119.04957	2.2
120.08064	4.1
122.07108	5.3
122.09646	3.2
122.41306	2.2
124.03960	3.7
124.07565	2.9
126.05568	2.6
128.98579	2.4
129.06572	2.3
129.10226	6.2
130.04961	4.4
130.06519	5.5
134.99693	4.4
135.04430	5.9
136.06200	2.2
142.05014	3.9
142.08633	2.2
143.00142	2.8
144.04800	3.4
144.81494	2.2
145.02878	2.3
145.06271	2.8
146.04480	27.8
146.99619	6.6
147.04454	4.9
149.01346	2.8
150.09122	5.3
152.10789	2.0
156.06552	2.8
160.02841	2.7
161.01236	2.9
161.03004	2.4
163.03920	22.8
167.11807	10.7
168.10179	4.7
170.11758	9.1
177.00711	5.4
185.04210	21.5
185.12846	11.4
186.11357	2.4
188.12807	7.0
189.00616	2.8
196.09628	3.4
199.14413	3.5
203.03519	2.1
203.05257	40.6
204.07666	3.0
213.12317	17.3
214.10735	24.0
219.01784	4.0
221.04555	3.9
222.08765	5.4
222.83194	2.5
226.07066	4.5
231.13422	46.2
232.11818	24.6
234.99030	4.8
237.02888	12.0
243.13472	8.2
249.14438	71.1
261.14505	16.6
273.14462	5.7
290.46378	2.4
291.15488	7.1
301.53790	2.3
305.05872	2.7
305.09183	8.0
311.16058	3.9
323.10101	17.7
325.83545	2.1
329.17059	14.6
347.18146	5.1
365.10565	100.0
365.18939	3.6
366.10974	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	365.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.0
55.01867	13.2
55.05507	15.1
55.20958	1.9
56.96561	1.8
57.03428	6.4
61.02915	5.6
65.03934	2.7
67.05496	14.8
68.99786	8.2
69.03427	100.0
69.07062	9.2
70.06567	2.7
71.04990	32.0
71.59244	3.5
73.02909	3.7
79.05492	27.6
81.03417	39.7
81.07051	31.6
83.01330	2.6
83.04976	9.6
83.08615	4.2
85.02909	26.0
87.00829	18.5
91.03967	2.6
91.05477	41.7
93.07041	45.1
95.04964	23.0
95.08588	15.0
97.02889	27.0
97.06509	8.2
97.10126	2.3
99.04442	6.5
99.08091	3.5
103.05479	4.0
105.01859	3.8
105.07025	62.7
107.04952	28.4
107.08582	38.0
109.02860	3.7
109.06522	15.9
109.10157	10.1
111.04432	5.1
111.08080	2.3
115.03928	9.4
115.05462	6.3
117.01837	5.4
117.07003	26.8
119.04919	12.8
119.08575	39.0
121.06497	23.5
121.10138	19.9
123.04438	8.8
123.08064	15.3
123.11732	4.1
125.09565	3.0
127.03913	5.2
128.06210	11.4
129.01865	5.7
129.06979	15.8
129.10249	2.5
130.07787	8.5
131.04942	3.8
131.08559	29.7
132.09351	2.1
133.06479	13.5
133.10139	25.2
134.25288	2.1
135.04413	10.7
135.08015	18.1
135.11720	15.2
137.05981	7.4
137.09602	4.6
141.06976	5.4
142.07758	5.4
143.08549	18.0
144.09354	5.2
145.06483	17.9
145.10103	40.5
145.11148	3.8
147.06889	3.4
147.08017	23.9
147.11688	19.3
149.06001	5.6
149.09601	12.4
149.13213	2.3
151.07555	3.2
151.11180	9.8
153.07025	3.5
153.09158	3.2
153.12715	2.2
154.07745	2.5
155.08528	11.5
156.09338	7.0
157.06430	3.3
157.10158	11.1
158.07246	6.5
159.02892	15.1
159.08038	20.0
159.11678	21.2
161.05978	2.7
161.09615	11.9
161.13243	8.0
163.07494	10.0
163.11186	16.9
165.09117	2.2
165.12762	9.5
167.08568	5.6
168.09344	2.9
169.10129	6.7
171.08052	13.0
171.11702	9.3
172.08751	2.3
173.09628	36.8
173.13272	9.0
175.07578	13.9
175.11168	18.3
177.09079	3.3
177.12759	26.2
179.10637	2.8
179.14389	3.0
183.08061	3.5
183.11679	4.0
185.09644	3.3
187.07489	4.8
187.11159	25.5
187.14844	3.1
189.03894	2.3
189.09119	11.5
189.12749	25.1
190.13448	2.4
191.03424	18.1
191.07002	3.4
191.10674	16.0
191.14308	3.0
193.12247	8.7
195.08047	2.4
195.11705	2.8
197.13239	10.7
199.11140	5.8
201.03989	6.0
201.09064	5.7
201.12746	13.7
203.05194	2.9
203.10744	2.7
203.14304	2.3
205.12228	30.1
207.10011	2.9
207.13771	3.2
210.10419	4.8
213.12712	4.2
215.14268	16.4
217.12166	6.8
219.13808	8.8
225.12750	11.4
231.13776	5.1
233.15375	10.8
240.17969	2.4
243.13788	57.8
261.14862	74.1
273.18408	2.8
274.13943	3.6
277.10617	3.0
279.15948	7.5
302.17621	5.3
303.17966	30.2
321.16727	14.9
329.13858	3.3
347.14856	26.8
365.09186	9.1
365.15952	62.8
365.20776	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	365.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37877	0.5
52.91156	0.7
53.03946	2.6
55.01871	2.9
55.05505	2.5
56.06963	0.6
57.03445	0.7
61.02912	0.9
65.03947	0.8
65.42213	0.6
67.05502	5.1
68.99789	2.2
69.03429	12.8
69.07058	1.3
69.44038	6.0
70.06587	1.1
71.05003	2.0
72.05468	0.6
79.05484	6.4
80.05009	0.9
81.03415	6.9
81.07053	11.3
83.04984	2.0
85.02887	4.6
86.09686	1.0
87.00829	3.8
91.05479	8.6
92.05007	0.9
93.07044	19.9
94.06556	1.8
95.04945	4.9
95.08576	4.3
96.08138	1.6
97.02876	4.9
97.06537	2.3
98.97588	0.9
99.04486	1.2
103.05408	0.9
105.07022	18.3
107.04958	3.3
107.08588	21.0
107.09297	1.5
109.02874	1.3
109.06506	4.2
109.10150	1.3
111.04433	1.8
115.03893	0.8
115.05489	1.3
117.06999	5.3
119.04975	1.5
119.08572	9.6
120.04438	1.3
121.06516	4.4
121.10145	4.0
121.84399	0.7
122.06001	3.8
123.04430	0.9
123.06796	0.8
123.08065	2.8
124.07580	1.0
127.03928	1.4
128.06218	1.6
129.06979	3.9
130.07782	1.9
131.08554	6.1
133.06453	3.4
133.10104	5.8
135.04445	1.0
135.08046	3.5
135.11679	10.5
136.07552	1.0
137.04716	2.6
137.05978	1.1
137.09558	1.0
141.06938	1.2
142.07761	2.1
143.03424	2.0
143.08554	4.0
144.09352	1.1
145.06491	2.6
145.10126	9.7
147.08029	3.5
147.11661	7.3
149.09637	2.2
150.05545	1.0
151.06284	8.0
151.11218	1.3
152.07053	97.8
153.05585	0.9
153.07204	1.1
154.07698	0.9
155.08543	2.7
156.09253	0.8
157.06424	0.8
157.10097	4.8
158.07217	0.7
159.02863	1.2
159.08095	3.4
159.11674	5.1
161.05919	0.9
161.09624	2.4
161.13260	1.3
163.07521	1.5
163.11174	9.7
165.06982	1.2
165.12747	1.8
166.08635	54.5
167.07246	1.0
167.08685	1.1
168.08046	0.9
169.10127	2.4
171.07988	1.1
171.11646	1.9
173.09686	4.0
173.13162	2.1
175.11137	5.3
177.09052	1.3
177.12698	1.5
182.09563	1.0
182.10976	0.8
183.11707	1.5
184.09921	0.9
185.09583	1.7
187.11215	1.9
187.14853	1.3
189.12727	4.5
191.10576	1.2
193.12239	2.3
194.08116	100.0
195.08403	1.9
197.13234	3.0
198.07726	1.8
198.09340	1.0
199.12335	1.9
200.98067	0.7
201.09038	2.2
201.12669	2.2
203.10698	1.2
205.12201	1.8
210.09161	2.4
211.08614	2.0
212.09164	95.0
213.09956	2.7
215.14355	4.7
217.12166	1.4
219.13835	1.4
225.12720	2.0
226.07286	0.8
227.11749	8.1
231.13744	1.2
233.15256	1.3
235.00595	0.6
236.12778	0.8
237.10417	0.7
239.08047	1.6
240.08890	3.5
241.09717	7.9
243.13824	12.1
255.11276	26.5
261.14835	16.4
261.17542	0.9
279.15994	0.8
283.10696	5.0
301.11847	9.2
303.17819	2.7
321.18982	1.0
329.13660	1.2
347.14932	8.9
365.11041	1.7
365.15924	18.6
365.20844	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	365.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.6
55.01863	10.0
55.05502	7.8
57.03429	5.9
61.02929	6.3
65.03942	4.6
67.05512	15.7
68.99783	7.2
69.03432	51.2
69.07082	7.2
71.04980	7.2
71.12948	4.1
71.13273	4.3
77.03934	2.9
78.88615	2.8
79.05499	25.7
81.03416	29.4
81.07057	43.0
83.04972	9.8
85.02899	17.6
85.06539	4.3
87.00842	14.1
91.05481	37.9
93.07047	80.7
93.85638	2.9
95.04980	19.9
95.08606	20.4
97.02905	10.5
97.06518	8.9
99.04420	5.5
105.07035	81.3
107.04957	12.4
107.08591	83.4
109.02895	4.6
109.06521	13.5
109.10138	6.0
111.04452	5.4
115.03939	5.5
115.05454	3.6
117.07011	12.1
119.04931	7.9
119.08579	38.5
121.06509	17.4
121.10155	14.2
123.04477	4.5
123.08081	14.3
127.03931	5.0
128.06248	6.4
129.01834	4.3
129.07027	9.8
130.07826	3.3
131.08574	27.5
133.06490	9.5
133.10129	29.0
135.04449	3.7
135.08080	9.3
135.11697	43.1
137.04738	4.0
137.05942	5.3
141.07005	4.0
142.07782	7.8
143.03400	4.1
143.08549	18.8
145.06509	6.0
145.10126	47.7
147.08069	10.9
147.11714	34.4
149.09641	12.1
151.06349	6.0
151.07472	3.6
151.11192	3.7
152.07066	86.5
154.07776	3.7
155.08540	10.8
156.09445	4.0
157.10146	19.5
159.02905	5.7
159.08064	18.4
159.11694	25.7
161.06041	3.3
161.09639	14.6
161.13249	6.3
163.07584	3.3
163.11186	41.0
165.12766	11.5
166.08655	54.5
167.08540	4.2
169.10097	10.2
171.08017	3.2
171.11694	8.1
173.09663	14.3
173.13278	6.6
175.11197	24.4
177.09152	3.1
177.12766	8.5
179.10658	4.0
180.09181	3.1
183.08008	3.4
183.11702	4.5
185.09651	7.0
187.11223	18.0
187.14853	3.4
189.12741	19.6
191.10594	3.3
193.12172	15.5
194.08131	86.7
197.13275	10.0
199.11140	3.6
201.09085	3.4
201.12738	11.1
203.10655	3.9
205.12286	7.1
209.11674	3.2
212.09187	96.6
213.10065	3.2
215.10764	4.7
215.14342	19.0
217.12337	5.6
219.13852	9.0
225.12714	17.3
227.11835	9.9
231.13693	5.6
233.15317	7.9
241.09760	5.8
243.13843	58.6
255.11333	26.7
261.14859	91.9
275.16321	3.6
279.15747	7.8
301.11856	10.7
303.15970	2.9
347.14944	43.6
365.15964	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
66.76857	0.5
69.96130	1.8
78.71555	0.5
134.25569	0.5
135.81068	0.5
140.70424	0.4
146.39145	0.5
185.04219	24.1
188.82880	0.5
203.05261	55.7
217.33488	0.5
260.04468	0.6
294.71918	0.5
365.10538	100.0
366.10898	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1592
Annotation	7-Epi-Zeaenol
Peak:m/z	Relative Intensity
53.03932	4.8
55.01617	1.9
55.01862	7.8
55.05497	11.5
55.70314	1.8
57.03424	7.2
59.98820	1.7
61.02906	4.8
65.03922	3.1
66.40441	1.7
67.05489	11.9
67.45910	2.0
68.99772	5.9
69.03075	3.7
69.03424	56.6
69.07053	5.3
71.04983	7.0
71.10816	1.8
71.43743	4.7
74.56699	2.0
79.05485	22.0
81.03410	28.7
81.07048	31.5
82.07980	1.8
83.04967	7.8
85.02899	24.8
87.00822	14.0
91.05470	35.8
93.07038	93.6
95.04963	19.2
95.08595	18.1
97.02880	15.2
97.06474	4.3
99.04460	3.4
103.05426	3.8
104.48985	1.9
105.01843	4.3
105.04510	2.5
105.07023	74.2
107.04939	8.9
107.08588	98.6
107.79213	1.8
109.02828	2.6
109.06489	9.7
109.10164	7.6
111.04411	7.8
115.03908	4.3
115.05441	3.6
117.01849	2.5
117.07000	15.3
119.04932	6.3
119.08569	39.2
121.06513	15.5
121.10139	11.8
123.04426	5.2
123.08077	10.4
125.06026	2.3
127.03890	6.6
128.06203	6.4
129.01852	2.0
129.06990	14.9
130.07788	4.7
131.04893	2.7
131.08556	27.5
133.06480	11.1
133.10114	34.9
135.04388	4.7
135.08031	11.0
135.11682	55.1
137.05963	4.9
141.06972	4.6
142.07808	10.4
143.08560	11.8
145.06516	10.5
145.10110	42.3
147.02734	2.6
147.08022	9.7
147.11671	32.0
149.05885	3.8
149.09604	10.6
149.13234	5.1
151.07550	5.0
151.11174	2.4
153.05569	2.8
154.07707	2.1
155.08592	12.8
156.09326	3.5
157.10117	20.8
158.07268	2.4
159.02888	4.2
159.08046	18.1
159.11665	24.6
159.98634	2.2
161.05904	2.2
161.09656	11.1
161.13216	4.6
163.07552	3.4
163.11182	36.4
165.12756	11.0
167.07024	3.0
167.08546	4.6
169.10097	7.3
171.11679	9.6
173.09570	12.1
173.13254	5.0
175.11176	29.2
177.09175	2.8
177.12729	11.2
181.10135	3.2
182.10899	5.2
183.08073	3.2
183.11659	5.7
185.09636	8.3
185.13261	2.7
187.07574	5.2
187.11134	12.4
187.14845	2.7
189.12738	17.3
191.03430	6.2
192.09364	2.1
193.12238	18.4
197.09660	2.7
197.13301	11.4
199.11169	5.3
201.03903	3.2
201.09088	8.0
201.12717	11.6
203.10661	4.5
203.14337	3.2
205.12267	7.0
207.11650	5.2
207.14037	2.1
213.12798	2.7
215.10692	4.7
215.14302	21.8
217.12231	7.3
219.02470	2.2
219.13750	6.7
225.12769	12.6
231.13824	3.7
233.15381	5.7
243.13791	58.4
261.14847	100.0
279.15967	5.3
305.13950	2.1
315.41104	1.9
321.17081	2.7
329.13553	2.8
347.14832	51.0
365.15939	92.4
365.20615	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	364.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.4
55.01864	4.3
57.03448	1.6
61.02911	1.7
67.05514	1.9
68.99790	1.7
69.03423	9.7
70.06585	3.3
70.76704	1.1
70.77026	1.8
71.04965	0.9
73.02902	2.5
76.78399	0.9
79.05476	1.3
81.03414	100.0
84.08150	1.5
85.02900	27.6
86.09705	2.6
87.00823	12.4
91.05473	3.0
95.04963	19.6
96.66708	0.9
97.02893	9.7
98.06041	1.9
99.04432	3.3
103.03941	2.5
103.05471	0.9
105.01860	12.7
105.07037	2.0
107.04967	1.9
108.04475	1.7
109.02321	0.8
109.02905	7.1
109.06522	0.8
110.07124	0.9
115.03958	1.1
115.05379	0.8
116.07119	4.0
117.01859	0.9
119.04944	1.9
120.08080	3.3
121.02868	2.3
123.04424	34.3
124.04781	1.5
127.03907	16.8
129.01866	1.7
131.04872	0.9
133.06480	3.1
135.04381	3.2
145.04933	8.1
147.02963	1.1
147.04405	3.3
149.05940	1.1
159.02884	4.8
159.04337	0.8
161.05998	5.5
163.03853	2.0
165.05499	1.3
168.15520	1.0
171.02899	1.1
171.04311	1.7
175.15196	0.7
176.10580	1.1
177.05464	1.4
179.07086	1.4
185.04359	1.0
189.03922	4.4
189.05481	8.2
202.10721	1.2
207.06534	4.1
221.12823	1.6
231.05037	3.1
293.06412	1.3
311.07617	4.6
346.22165	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.9
55.01856	3.6
55.05511	1.6
55.11058	1.0
56.05026	4.4
56.05836	1.0
56.96556	2.5
57.03427	3.1
60.04531	1.7
61.02914	2.3
65.03950	1.0
66.75541	1.1
67.05508	1.9
68.99776	1.5
69.03430	7.4
69.07031	1.7
70.06591	9.5
70.24460	0.9
71.04984	1.8
71.10889	1.7
71.11205	1.2
72.04514	1.3
72.08152	4.7
73.02921	2.3
74.06046	2.2
76.52216	0.8
76.96294	1.0
79.05481	2.1
80.05012	1.1
81.03416	100.0
81.07056	2.0
82.06562	1.3
83.04980	1.1
84.04484	2.3
84.08134	6.5
85.02902	30.0
86.09716	6.9
87.00836	10.8
88.04018	1.4
89.03869	1.0
90.05556	1.4
91.05473	2.7
93.07033	1.2
95.04965	18.1
97.02888	11.5
98.06049	2.9
98.97556	1.7
99.04447	5.4
102.05582	1.2
103.03973	2.2
104.05319	1.6
105.01868	14.1
105.07009	2.1
107.04957	2.8
108.04428	1.8
109.02869	7.8
109.06506	1.4
110.07180	1.7
111.04464	1.4
116.07069	3.5
116.98584	1.7
119.04947	2.2
120.08112	5.9
121.02863	2.9
123.04421	35.4
126.05483	1.6
127.03904	15.6
129.10217	1.9
131.08551	0.9
133.06470	3.3
134.99663	1.1
135.04382	3.0
136.07620	1.8
137.05962	1.4
145.04945	8.2
147.04384	4.8
147.76439	1.0
151.03851	1.5
159.02870	4.4
161.05988	4.1
163.03911	4.5
165.05499	1.3
169.60577	1.3
171.04410	1.3
171.07649	3.6
177.05473	1.4
177.84253	1.0
189.03937	3.7
189.05472	10.1
202.10678	1.6
207.06589	3.1
213.03862	1.4
219.08121	1.9
228.16008	1.7
231.05006	3.3
247.07520	1.3
311.07468	4.8
346.22141	1.0
365.05728	1.1
365.10812	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	363.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50794	7.1
53.72456	7.8
55.05504	9.9
56.05021	14.5
56.96555	35.1
61.37951	7.7
68.77375	8.3
69.03424	10.8
70.06586	19.6
70.42590	35.5
72.08154	82.1
72.66187	7.9
72.93771	12.5
74.06055	8.6
81.03388	33.4
84.04498	20.6
84.08125	25.8
85.02878	30.4
86.09685	30.2
97.02874	7.9
98.97577	22.5
113.07086	25.0
116.98582	17.2
123.04413	14.5
127.03951	12.2
132.95813	14.2
134.99644	13.8
135.04375	10.3
141.23773	8.5
141.37094	9.7
146.99649	22.6
150.96869	13.4
158.97302	10.5
161.01189	12.2
161.07330	10.2
167.06940	9.2
167.13313	9.1
170.99638	17.0
175.10776	8.5
177.00755	10.0
186.12396	17.1
189.00789	10.9
201.05240	82.8
201.07083	19.1
216.97661	8.4
219.01791	12.6
219.05295	8.4
234.98927	23.3
235.04872	12.3
237.02762	92.3
277.03827	11.8
281.07520	17.3
295.04819	13.2
303.12909	14.8
337.08057	45.6
363.10593	100.0
363.16125	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98169	1.3
53.03943	2.8
55.01863	3.6
55.05511	3.3
56.05021	3.6
56.96558	4.0
57.03440	1.7
57.55893	1.3
58.85512	1.3
60.04520	2.0
60.96545	1.4
63.87254	1.2
67.05512	6.7
68.05014	7.1
69.03424	4.0
69.07082	3.1
69.28348	4.5
69.28769	10.9
70.06591	18.9
71.04995	4.8
71.08633	21.0
72.04520	3.7
72.08156	12.0
73.02908	3.9
74.02459	2.9
74.06060	1.4
79.05498	4.2
81.03422	22.9
81.07053	5.8
82.02946	4.7
82.06582	4.7
83.01343	2.7
83.04974	10.8
84.04507	14.2
84.07681	1.2
84.08120	6.9
85.02909	6.1
86.06065	2.9
86.09706	14.1
87.04477	1.8
88.04005	17.8
88.11270	27.7
91.05488	5.8
93.07050	4.0
94.06599	1.2
95.01332	1.4
95.04963	3.1
96.04491	76.9
97.02925	2.2
98.97601	1.7
99.00829	1.6
99.05666	1.4
100.03977	5.3
100.11256	100.0
102.05539	21.9
105.07038	2.7
107.08591	1.6
109.02902	1.4
110.00032	1.5
110.07179	2.0
114.05544	2.9
116.07072	3.2
118.04980	1.8
119.04932	2.1
119.08677	2.1
120.08096	16.1
122.06012	1.5
124.03972	2.0
127.03885	1.3
128.03456	3.7
129.10237	2.0
130.04994	12.8
136.07574	4.3
137.05989	1.5
141.06706	1.4
143.08626	1.3
145.10117	2.0
146.04488	24.2
147.11638	1.5
152.10713	4.7
154.12236	3.9
158.04585	2.5
158.11789	2.5
164.07109	3.7
169.13377	15.0
172.13338	21.2
181.13307	7.6
183.14957	8.7
184.91254	1.2
198.11275	5.7
199.14531	3.2
208.06483	3.3
215.13953	4.7
216.12305	33.4
219.14938	2.4
223.11388	1.3
226.07594	2.1
227.13901	55.1
228.14221	1.9
230.10327	3.0
233.14949	12.6
234.11404	1.8
234.99014	6.8
245.14975	92.9
246.15262	2.6
253.08672	3.6
255.58884	1.3
262.10852	2.4
275.15915	1.8
299.09253	2.7
313.17499	10.2
317.06824	2.5
363.19876	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2089
Annotation	Val Pro Phe
Peak:m/z	Relative Intensity
51.11853	2.5
61.81086	2.4
67.05465	4.3
69.54315	8.2
69.54729	12.3
70.06557	3.0
72.38792	2.8
75.29790	2.5
83.41895	2.6
85.02850	2.9
108.43166	2.9
134.52641	2.5
141.89520	2.9
168.95969	2.7
175.14252	3.0
242.29631	2.8
339.37296	2.5
362.20880	100.0
362.26431	13.2
362.32611	10.6
363.21274	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	361.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40591	0.8
54.03453	0.9
55.05492	2.8
56.05017	1.7
58.06590	1.4
60.42002	0.8
65.03922	2.1
67.04246	11.5
67.05495	1.8
69.03413	4.6
69.07058	1.6
70.02940	1.3
70.06583	1.5
70.50778	2.6
70.51138	1.2
72.04507	2.2
72.08147	4.0
74.02430	4.4
74.06071	1.3
79.05444	0.8
80.05016	4.1
80.93828	0.8
81.03412	8.5
82.06573	100.0
83.04990	1.6
83.06918	1.2
84.04500	5.6
84.08139	3.3
84.36135	0.8
86.09694	7.5
87.05601	1.3
88.03969	5.3
91.69957	0.8
93.05798	5.0
94.06555	3.0
96.04493	1.6
96.08121	1.0
98.06037	1.3
98.97550	1.2
99.04450	3.7
100.03966	2.4
100.07599	10.7
102.05511	1.1
108.04445	1.2
110.06033	1.2
112.07626	1.4
114.05514	2.9
116.03477	0.8
118.04993	2.0
120.04434	0.9
124.07576	2.6
129.10258	3.2
130.04994	7.4
133.06079	3.3
136.06158	1.9
136.07555	2.7
138.05495	1.0
141.10243	0.9
142.04968	2.4
146.04446	3.5
150.09026	0.9
156.10181	1.2
160.06140	0.9
163.03862	2.1
187.14508	1.0
201.12279	4.3
209.09409	0.9
226.07114	3.4
227.10269	1.4
237.09186	1.2
239.10197	5.9
244.08081	2.1
245.11284	2.0
255.17793	0.8
307.12967	1.3
315.13477	2.2
360.79544	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26374	0.7
55.01880	1.9
55.05498	0.8
56.05033	2.9
60.04519	2.0
68.46683	0.8
69.03413	1.7
69.07058	1.1
69.68674	1.8
69.69083	3.1
70.06580	3.0
71.08628	23.0
71.33585	0.7
72.04505	2.2
72.08145	2.6
73.02923	4.1
74.02430	10.7
81.03397	1.2
82.02940	26.9
83.01343	2.9
83.06103	2.1
84.04501	37.3
84.08131	2.7
85.02908	3.3
86.09704	11.4
88.11268	72.0
91.05473	1.2
95.04961	0.8
96.04485	9.4
97.02877	0.8
98.21402	1.2
98.97585	1.3
99.05574	2.8
99.08119	0.7
100.03967	7.1
101.02367	1.6
102.05549	1.2
110.07146	2.0
118.05040	4.8
118.22085	0.8
120.08107	1.3
127.03901	0.8
128.03423	1.5
129.06612	0.8
129.10226	1.7
130.05008	6.2
136.07619	1.1
138.05490	1.7
141.13860	4.9
143.11771	1.0
146.04480	30.4
148.03903	1.3
151.03848	0.9
152.10696	7.4
156.06535	1.3
165.06627	1.4
169.13362	100.0
170.11781	1.4
170.13762	1.1
183.07593	1.1
187.14430	6.1
198.11270	5.5
200.12737	0.9
211.07176	2.1
213.48784	0.7
215.13910	36.3
216.12309	57.1
217.12540	0.7
229.08130	1.2
233.14961	80.9
234.15323	1.0
235.14418	1.8
257.07693	7.2
275.08859	0.9
281.15076	4.7
299.15958	1.8
327.15314	0.9
340.05505	0.7
344.18225	3.1
362.19131	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	361.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03458	1.4
55.05497	2.1
56.05037	0.9
56.96568	0.6
58.06592	1.4
65.03932	2.3
67.03906	0.9
67.04242	9.5
67.05493	1.9
68.05013	1.3
68.74112	0.4
69.03423	5.6
69.27659	0.4
70.02960	1.2
70.06594	2.3
70.07048	0.5
71.22219	1.1
72.04500	1.3
72.08154	2.8
73.00895	0.5
74.02432	3.6
74.06060	0.9
79.05480	0.6
80.05014	4.6
81.03418	8.3
81.05827	0.6
82.02925	0.6
82.06575	100.0
83.04985	1.8
83.06907	0.9
84.04483	3.1
84.08142	5.1
85.02909	0.8
86.06057	0.8
86.09673	2.8
88.03988	4.0
91.05473	1.2
93.05786	4.6
94.06567	3.1
95.04985	0.5
96.04506	1.8
96.08131	1.1
97.02877	0.9
98.02429	1.0
98.06055	1.9
99.04453	4.9
99.05561	1.2
100.03976	1.9
100.07611	13.1
101.00877	0.7
102.05507	1.2
106.06545	1.5
107.04970	0.7
110.06046	1.8
112.07619	1.6
114.04846	0.6
114.05499	3.6
116.03452	1.4
116.07074	0.9
118.05047	2.3
118.06593	0.9
119.01928	1.2
119.04961	0.7
119.07304	3.1
120.08059	0.5
124.03913	0.7
124.07616	1.3
126.05520	0.9
129.10233	3.9
130.05003	4.4
131.01927	1.0
134.06001	1.7
135.06819	1.9
136.06195	6.7
136.07486	2.7
142.04961	3.9
145.03506	1.2
145.06398	0.7
146.04460	7.2
147.07642	0.8
155.01978	1.2
156.08223	0.5
157.06114	0.5
158.04543	1.0
160.06113	0.7
161.03043	0.6
163.04243	0.7
163.07195	1.4
164.07133	1.2
167.08278	0.5
173.02986	2.2
175.04562	0.9
175.07149	0.8
180.10214	0.6
182.08229	0.5
187.04532	2.3
188.05569	1.3
198.07545	1.2
199.04539	2.6
201.12408	0.5
205.05402	0.6
210.07695	1.3
214.07138	1.0
217.05626	0.9
221.05110	2.3
226.07092	3.9
227.10342	1.9
228.08693	1.0
237.09181	0.9
239.10274	4.8
241.05563	1.5
241.08612	1.0
244.08215	2.0
245.11227	2.6
251.10252	1.0
254.11810	1.0
257.11395	1.1
269.13031	0.9
270.11371	0.6
271.06677	1.8
276.92099	0.6
289.07697	6.2
301.07730	1.6
307.12997	1.1
315.13373	3.8
319.08813	4.2
320.09354	0.6
325.14038	1.0
361.14166	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	4.9
55.26341	2.5
56.05025	3.7
56.96543	5.2
57.07049	2.6
58.65503	2.7
59.88217	2.7
60.04513	2.8
67.05497	3.5
69.03402	3.5
69.07037	8.7
70.06590	25.5
71.58195	3.4
71.58541	3.7
72.08138	10.6
74.02406	4.2
74.06068	7.7
76.47707	2.8
81.03397	13.3
82.06535	9.4
83.06068	4.2
84.04482	14.4
84.08125	35.3
85.02885	6.5
86.09698	37.2
87.10023	10.8
88.03959	6.1
89.03901	4.4
91.05473	18.0
93.07054	4.2
95.04934	3.9
96.04423	2.7
100.07565	4.2
102.05510	4.7
110.07165	5.5
111.04433	6.5
114.05489	2.9
116.07058	9.7
118.04919	3.1
119.04936	41.8
120.08072	3.1
120.37945	2.6
121.06478	5.4
123.04340	3.9
129.01828	3.3
129.06966	2.7
129.10251	13.6
130.04976	9.6
135.04355	7.8
136.07498	2.9
137.05948	12.6
145.05029	2.5
145.06166	3.2
146.04416	8.8
147.04402	98.9
148.04709	3.7
161.01201	4.9
163.03897	22.0
167.07065	19.5
169.02589	52.5
173.09244	4.0
176.83505	2.9
187.03563	4.0
187.05830	3.9
196.67389	3.1
197.04152	11.9
199.09569	5.6
200.18375	6.3
215.05263	62.8
219.01633	3.4
251.87526	3.0
314.03299	3.1
343.07700	10.7
361.08795	100.0
361.14371	12.5
361.18307	4.7
362.09109	4.7
377.17511	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	361.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04503	2.3
66.69538	2.0
68.05029	2.4
69.03426	4.1
69.07102	2.1
70.72888	5.0
72.04511	6.4
74.02444	23.5
74.06095	2.4
81.03418	21.6
82.02957	6.7
82.06585	10.2
83.04977	31.8
84.04494	8.9
84.06506	1.9
85.02922	2.5
86.09718	8.8
88.03983	17.9
96.04517	4.8
98.06079	4.0
99.04488	5.4
99.05566	30.8
100.03981	17.4
101.30047	2.0
102.05560	4.3
111.05535	5.6
114.05548	7.1
117.06606	6.5
118.05019	13.9
124.03944	2.4
130.05013	20.4
141.06586	7.9
142.05000	12.9
145.06105	11.3
146.04491	100.0
147.34708	2.1
157.06091	11.9
158.04504	5.5
163.07146	62.2
170.15735	2.1
175.07162	38.5
187.07162	2.6
188.05528	8.8
205.08208	8.6
221.06094	2.0
226.07100	19.6
229.05380	1.9
235.07533	3.2
239.07095	3.2
243.09796	15.7
244.08257	2.6
252.10234	3.5
261.10956	3.8
279.12006	3.9
297.12405	3.2
298.10748	4.9
343.12622	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	360.2126
Annotation	Asp Ile Leu
Peak:m/z	Relative Intensity
55.05519	0.7
56.96561	0.6
67.05476	0.5
69.03420	1.2
69.06714	1.0
69.07066	12.1
70.02946	0.9
70.06590	1.8
70.66323	1.0
70.66703	0.9
72.04549	0.6
72.08151	1.1
73.04015	0.6
79.05487	0.9
81.03408	0.7
84.04478	0.6
84.08150	1.2
85.02903	1.2
85.04018	1.5
86.09702	70.3
87.10042	1.0
88.03988	13.7
88.04529	0.7
90.55818	0.5
91.05443	0.8
93.07062	0.9
95.08610	0.5
96.08130	4.5
97.02859	0.7
98.02387	3.1
98.09691	1.7
103.76466	0.6
110.09679	1.8
113.10795	1.2
115.05074	1.3
120.08119	0.7
132.10193	5.3
132.22696	0.5
133.06081	1.5
138.09134	2.4
141.10220	12.6
142.08644	2.4
143.08542	0.6
143.11757	1.1
144.12086	0.5
155.11816	1.1
156.10193	18.4
166.08699	1.0
168.19640	0.5
168.39905	0.7
183.11304	4.5
184.09697	1.8
201.12332	100.0
214.10822	0.6
229.11816	17.2
243.13498	0.7
296.19858	0.7
318.06042	1.1
337.11780	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2122
Annotation	Glu-Ile-Val
Peak:m/z	Relative Intensity
51.61778	0.9
52.93945	1.0
55.05511	8.9
56.05026	5.0
56.96556	2.3
57.05804	1.2
60.04507	1.9
67.05504	1.5
69.03428	1.3
69.07050	4.5
70.06594	10.8
71.05003	1.2
71.58959	1.6
72.08151	97.4
73.08479	2.9
79.05467	1.5
81.03404	2.2
81.07030	1.2
82.06576	1.1
83.04986	2.5
83.06062	1.2
84.04499	46.4
84.08141	7.0
85.02912	3.7
86.09701	100.0
87.10036	2.9
88.03989	1.3
91.05486	1.4
93.07014	1.6
96.04469	1.1
96.08159	1.0
97.02901	1.1
98.97593	3.8
102.05531	23.1
102.06165	1.8
105.07038	1.1
110.09669	3.2
116.07088	2.5
116.98607	3.4
118.08656	9.1
120.08057	2.4
121.06485	1.1
128.98593	1.2
129.06633	2.5
129.10248	3.3
130.05045	1.4
132.10199	51.5
133.10443	1.0
134.99692	1.7
135.04416	1.2
136.07607	2.1
138.09126	16.1
138.10089	1.8
141.06557	1.1
146.04449	2.3
146.99579	1.6
147.04446	1.2
149.53835	1.1
155.11836	2.9
156.10194	11.7
163.03893	3.9
181.04814	1.5
183.11282	42.7
185.16475	1.8
197.12843	5.0
200.09178	2.0
201.12332	49.4
211.05963	0.9
211.10733	9.9
213.12332	1.3
213.99095	1.1
215.13902	14.4
217.11765	1.8
229.11810	15.6
229.13832	1.4
231.17043	2.7
237.02824	2.3
243.13275	7.6
263.29483	1.1
293.09131	7.2
311.10117	1.3
360.17380	1.2
361.08878	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75920	8.7
55.05502	24.3
67.05511	68.9
69.07058	31.8
71.04995	63.1
71.20107	17.9
79.05492	46.6
80.94029	7.5
81.07035	29.7
83.08621	17.0
91.05472	30.8
93.07044	72.6
95.08600	27.6
97.06511	8.9
97.10175	16.4
105.07024	15.1
107.08615	39.7
109.10147	48.2
119.08555	17.0
120.08101	14.0
121.10138	52.2
125.09625	18.0
133.10100	9.5
153.12764	35.9
155.10677	14.5
159.84547	8.2
167.07030	23.1
173.11765	100.0
189.11179	18.8
272.20197	14.6
275.20078	51.0
301.99643	7.6
360.29050	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	360.2125
Annotation	Asp Leu Leu
Peak:m/z	Relative Intensity
52.20981	0.3
55.01866	0.4
67.05499	0.4
67.45316	0.3
69.03423	0.4
69.07059	1.9
70.02975	1.0
70.06597	0.7
70.99305	0.7
72.08146	0.8
73.02917	4.5
74.45941	0.3
75.92982	0.4
79.05516	0.4
81.03435	0.6
81.07066	0.5
82.03960	0.3
84.04475	0.5
84.08150	0.7
85.04037	1.3
86.09702	79.4
87.10045	0.3
88.03987	10.4
88.04529	0.6
91.05511	0.4
93.07016	0.4
93.16663	0.3
95.04951	0.3
95.08614	0.4
96.04480	0.5
96.08123	2.9
98.02414	4.3
98.97614	0.5
100.03980	5.0
100.11258	0.3
104.92077	0.3
110.02425	0.4
110.09679	0.8
113.10754	2.8
115.05029	0.7
120.08108	0.5
132.10202	7.5
137.02281	0.4
137.05919	0.4
138.09122	4.7
141.06642	0.5
141.10217	11.4
142.04970	0.5
142.08606	1.6
155.11775	1.0
156.10193	11.3
166.08672	0.7
183.09772	0.5
183.11295	6.6
184.09669	3.7
201.12331	100.0
202.12718	1.0
225.32640	0.3
229.11824	19.3
231.11549	0.5
237.02827	0.3
245.18608	2.0
296.19632	0.5
345.42416	0.4
360.21384	0.7
360.25479	0.8
361.04648	0.5
363.36926	0.4
378.02313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	8.2
57.03419	10.2
61.02931	8.2
69.03426	36.4
69.39733	51.7
70.06583	11.2
72.08153	8.1
73.02902	7.5
81.03394	10.8
84.08124	11.3
85.02901	100.0
89.03911	16.7
97.02885	36.8
98.21574	6.7
99.04476	8.1
102.29330	5.4
109.02888	8.9
111.22021	5.5
115.03856	5.9
117.03365	14.6
124.72856	5.7
127.03909	87.8
130.77316	5.6
135.04390	18.0
145.02817	12.9
145.04947	71.0
163.03896	96.4
169.03441	13.5
185.02982	7.6
187.04535	10.4
197.03038	9.4
245.05093	15.1
261.90198	6.2
275.06073	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03449	0.5
55.01865	0.9
56.05024	2.1
58.06598	0.9
58.68076	0.4
67.05489	0.5
69.07069	9.2
70.06593	9.8
71.06135	0.5
71.59016	0.7
72.04523	2.3
72.08152	1.5
74.02438	8.6
82.02938	4.7
82.06585	0.7
83.06088	0.9
84.04505	25.9
84.08141	5.8
85.02912	1.2
85.08926	3.5
86.09705	100.0
87.10032	1.4
87.27551	0.5
91.05463	0.7
93.07055	0.6
94.06561	1.0
95.08614	0.8
96.04478	0.7
96.08154	1.2
98.97588	0.6
99.05579	4.1
100.03981	3.4
102.05585	0.6
105.07034	0.5
107.08608	3.5
110.06060	1.4
116.07125	0.6
116.98596	0.5
118.05025	4.7
120.08117	2.8
122.05975	0.5
122.09674	10.5
124.07581	3.3
128.03452	0.5
129.06610	0.6
130.04994	8.6
138.05469	2.6
139.12334	3.5
140.10738	1.4
142.08640	0.5
145.06116	1.6
146.04472	6.6
150.09158	10.4
155.08157	0.6
156.06610	0.7
163.07191	1.3
165.06627	1.6
166.05035	0.9
167.11806	20.5
168.10249	1.0
183.07681	0.8
184.05988	0.6
185.12851	3.3
194.04398	0.7
196.09682	2.7
198.11284	0.7
211.07130	2.9
213.10233	0.7
213.12341	19.6
214.10742	24.2
215.11084	0.6
217.13263	0.6
229.08124	0.8
230.06525	0.6
231.13396	43.0
232.13673	0.8
245.12839	0.9
257.07690	3.9
275.08743	1.5
278.38104	0.5
279.13458	1.4
293.09134	1.8
297.14581	0.9
342.16544	2.5
343.15051	0.6
360.17633	5.3
361.17908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2579
Annotation	16-Butyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol
Peak:m/z	Relative Intensity
53.03939	12.1
55.05510	23.1
67.05499	52.1
69.07067	26.7
71.04989	5.2
71.05944	11.8
79.05483	36.2
79.87811	4.0
81.03415	63.9
81.07043	50.6
83.04955	8.3
83.08614	12.1
83.55798	4.3
91.05473	49.9
93.07051	44.8
95.04976	28.7
95.08600	45.9
105.07022	50.6
107.04939	6.6
107.08601	26.0
109.06516	8.7
109.10129	18.5
115.05452	6.5
117.06994	24.2
119.04942	14.5
119.08588	28.4
121.06482	11.7
121.10163	20.9
123.08035	12.3
125.09602	5.3
129.06996	19.6
131.04916	6.6
131.08542	34.8
133.06473	20.3
133.10098	24.7
135.08041	15.9
135.11673	12.9
137.86752	5.1
143.08519	26.7
145.06487	9.1
145.10129	19.1
147.08086	14.1
147.11713	11.2
149.09619	7.5
149.13315	6.4
155.08643	4.5
157.10094	18.9
159.08047	8.3
159.11687	9.6
161.09576	15.2
161.13269	8.0
169.10092	12.7
171.11697	11.1
173.09464	5.6
173.13254	13.2
175.11179	20.8
177.12709	4.7
180.37947	4.4
183.11639	7.7
185.13255	13.2
187.11156	7.0
189.12744	10.9
197.13202	7.1
199.14809	11.5
203.14087	7.4
213.16440	9.0
247.24065	4.8
256.15555	5.6
277.21582	19.2
312.24924	4.8
313.25348	8.1
315.23087	7.2
323.23755	5.6
341.24756	54.2
359.25778	100.0
359.37125	16.8
360.26230	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.3
55.01861	3.9
55.05502	26.2
56.96564	2.9
57.03417	2.8
57.07082	5.5
59.05022	2.7
65.03937	3.1
67.05499	31.0
69.03421	9.1
69.07071	44.7
69.07430	2.7
71.04993	5.6
72.08118	3.8
79.05484	14.4
81.03408	3.7
81.07052	100.0
83.04990	3.7
83.08617	11.1
84.08181	2.9
85.02905	3.9
85.06531	14.2
86.09728	3.2
91.05464	12.3
93.07037	39.3
93.91647	2.7
95.04970	3.6
95.08601	75.8
97.02892	14.5
97.06518	11.3
97.10148	22.3
97.92702	2.4
99.08096	9.1
105.07024	13.9
107.04930	3.1
107.08598	36.1
109.10179	25.9
111.08090	17.8
111.11704	6.5
119.08569	9.7
119.86030	3.1
121.10127	26.6
123.08067	3.2
123.11707	57.8
125.09650	5.1
127.03965	5.5
127.30111	2.5
128.06226	3.1
131.08560	3.8
131.94057	2.4
133.10126	7.1
135.11649	16.6
137.05986	8.1
137.13251	18.2
139.11157	16.2
141.12770	3.7
145.10211	3.0
147.11697	8.7
149.13248	36.7
151.03906	3.7
153.12808	4.5
155.14325	6.1
157.12227	10.7
159.11670	3.9
161.13232	12.3
163.14760	6.2
167.07048	4.3
167.14465	3.5
169.12238	4.5
171.13885	2.8
179.14278	4.8
181.15822	3.0
187.13243	13.2
195.07991	2.6
197.51299	2.7
213.16359	3.1
214.19997	2.6
261.91452	2.7
269.22589	3.8
277.25186	6.3
287.23456	4.7
293.24692	7.8
305.24792	36.1
323.25665	12.4
359.15491	4.0
360.21295	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.0
67.05501	1.1
69.03429	1.1
69.07075	1.4
70.06580	1.7
71.05027	0.8
71.05457	1.9
72.08141	3.3
79.05488	1.6
81.03403	1.9
81.07050	2.8
83.04975	2.7
84.08150	1.4
85.02899	1.7
85.06508	1.1
86.09697	3.7
91.05465	1.4
93.07018	2.3
95.08601	1.7
97.02885	1.7
105.07049	1.0
107.04957	0.9
107.08584	2.2
108.92610	0.8
109.02177	0.9
109.02882	2.5
119.01894	2.6
121.10143	1.1
131.01945	1.2
133.93192	0.9
137.02309	1.4
137.05984	1.8
145.03519	1.0
145.10150	0.9
146.11794	1.1
153.01817	0.9
157.03357	1.1
163.14819	1.3
173.02968	1.6
235.07367	1.2
271.04156	1.6
273.13116	2.9
291.13062	1.6
309.14102	1.5
315.14114	19.4
318.05994	1.1
359.13092	100.0
360.13470	3.2
377.01877	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	359.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05037	1.8
53.03948	5.8
54.24348	1.9
55.01870	12.5
55.05515	24.7
56.96559	8.8
57.03436	10.1
57.07081	5.1
59.04999	3.9
60.61743	1.8
61.02919	5.8
67.05510	27.1
68.99796	7.3
69.03427	48.8
69.07069	100.0
71.01372	3.6
71.04990	11.6
71.11493	6.1
73.02911	3.9
78.18505	2.0
79.05492	18.4
81.03419	31.2
81.07056	40.9
83.04987	17.5
83.08627	7.6
84.08162	2.6
85.02911	25.3
85.06542	17.7
87.00837	18.2
87.04496	2.5
91.05478	23.9
93.07040	40.8
95.04974	14.3
95.08606	33.2
95.09161	3.1
97.02890	20.1
97.06534	12.0
97.10194	5.8
97.39143	1.9
98.97565	3.2
99.04482	9.9
99.08083	11.3
103.03889	3.2
105.01876	3.3
105.07027	34.4
107.04960	10.7
107.08591	39.2
109.02887	9.3
109.06525	13.6
109.10163	19.7
111.04439	19.5
111.08077	32.1
111.11742	7.8
111.68082	2.2
113.06039	2.4
113.09648	2.1
115.03910	12.5
115.05462	2.9
116.98635	2.8
117.01889	3.2
117.06985	9.8
119.08577	25.9
121.06520	12.9
121.10145	28.5
121.72312	2.6
123.04424	6.2
123.08085	11.0
123.11694	15.0
125.06008	4.7
125.09594	3.3
127.03907	12.6
127.11215	11.5
128.06172	3.6
129.01852	4.8
129.05498	8.7
129.07025	4.0
131.08571	17.1
133.06520	4.0
133.10155	19.8
135.08054	9.8
135.11696	14.1
137.05956	10.9
137.09595	12.1
137.13266	3.6
139.07571	12.7
139.11162	13.4
140.14429	2.6
141.12737	16.7
143.08580	9.6
144.09366	3.8
145.06523	3.6
145.10152	8.9
147.02919	3.2
147.08047	4.2
147.11699	12.2
149.05974	3.6
149.09599	9.1
149.13339	4.1
151.11192	7.5
153.12776	6.4
157.10201	5.4
159.02898	7.8
159.08046	6.1
159.11702	16.5
161.09604	14.7
161.13298	8.0
163.07527	3.3
163.11209	15.4
165.12779	6.5
167.06993	3.3
167.10681	5.1
168.09360	3.0
169.12268	7.4
173.09583	2.3
173.13300	5.8
175.07506	2.1
175.11182	5.6
177.09201	3.9
177.12753	12.8
179.10634	11.1
179.14331	2.7
181.08673	2.0
181.12267	2.6
183.11688	4.8
183.13814	5.0
189.12686	3.0
191.14423	4.8
192.48119	1.9
195.13843	5.3
197.09039	2.1
197.11746	6.6
201.03954	5.1
201.12770	11.6
207.13745	2.8
219.13829	25.0
219.25362	2.1
220.14073	2.3
231.05031	2.5
237.14873	24.8
255.15901	5.1
305.13541	2.4
323.14832	19.3
331.09192	3.3
341.16080	12.6
359.11041	2.7
359.14856	2.7
359.72647	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	357.2997
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05260	4.9
55.05508	65.8
57.03426	15.5
57.07069	34.8
67.05162	6.6
67.05500	75.0
69.06718	6.3
69.07066	89.8
69.52678	32.1
70.06593	8.4
71.08627	30.2
75.04491	5.5
79.05492	51.4
80.61832	3.3
81.07057	87.3
83.08620	64.5
85.06522	4.9
85.10175	11.8
87.08033	3.7
88.07639	7.9
91.05477	10.7
93.07040	60.1
95.08608	79.9
97.06528	29.3
97.10181	39.6
99.08096	5.8
103.03967	4.8
105.06982	5.2
106.08696	4.7
107.08581	47.1
107.14781	3.2
108.55929	3.3
109.10146	48.4
111.08073	14.5
111.11703	14.3
121.10136	100.0
123.11681	19.5
125.09621	8.3
125.13274	5.1
132.32396	3.2
135.11670	70.6
137.13264	7.7
139.11174	6.3
141.12720	3.5
149.13246	34.7
151.14824	6.4
153.12784	4.7
163.14795	14.8
165.16380	13.2
177.16356	9.3
191.17934	5.7
224.11807	3.3
247.24208	77.2
265.25262	69.7
339.28842	51.2
357.23834	4.3
357.30377	8.0
357.35452	63.8
358.36798	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	357.2997
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.01859	5.8
55.05260	4.8
55.05510	71.3
57.03425	17.1
57.07071	40.3
65.03937	3.5
67.05503	77.6
69.07064	100.0
69.91470	20.5
71.04983	4.7
71.08628	29.8
73.30145	3.5
75.04462	4.0
75.19453	3.7
79.05479	46.1
81.07055	82.0
82.87346	3.7
83.05007	5.7
83.08615	66.7
85.10180	13.8
91.05457	5.0
93.07045	63.4
93.79158	3.6
95.04942	3.9
95.08601	81.6
95.09165	7.2
97.06521	27.0
97.10167	48.6
98.21543	4.6
99.77691	4.0
103.03916	6.3
105.13310	3.6
107.08587	56.4
109.10136	39.1
111.08092	16.3
111.11715	15.8
121.10140	98.1
121.11018	5.0
123.11713	18.1
125.09625	7.5
135.11687	62.5
137.13257	11.0
139.11099	4.7
149.13278	35.9
151.14867	5.2
153.12575	4.8
155.56778	4.6
163.14812	9.8
165.16376	8.8
177.16397	9.2
191.17970	9.0
216.15262	3.9
247.24194	80.5
247.53166	4.1
259.26273	3.8
265.25241	63.1
283.26382	5.0
339.28897	32.8
357.30597	4.7
374.53375	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	357.2997
Annotation	3-oleoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05267	4.3
55.05509	69.3
57.03434	23.3
57.07074	47.6
64.27091	2.4
67.05500	26.1
69.07063	100.0
71.04979	5.6
71.08633	23.3
71.20915	6.6
79.05495	15.5
81.07059	43.2
83.04963	4.5
83.08613	62.9
85.10167	12.5
91.05443	4.8
93.07030	21.0
95.08601	42.0
97.06499	15.6
97.10164	33.2
101.06015	3.7
105.07012	3.6
107.08599	21.9
109.10159	17.0
111.08059	9.1
111.11709	12.6
115.07619	3.2
121.10133	19.0
123.11690	4.9
125.09608	12.7
125.13259	2.7
129.09143	3.4
135.11693	16.5
139.11174	9.9
149.13275	10.3
151.14844	4.6
153.12733	8.6
163.14830	7.2
167.14284	6.6
175.04526	4.8
177.16400	5.3
181.15877	4.4
183.12289	2.6
186.51553	2.4
186.53989	2.4
191.17955	4.6
195.17357	3.1
226.21021	3.0
239.70393	2.5
247.24213	12.2
258.20145	2.9
265.25299	15.2
275.06390	2.8
339.29034	18.7
357.25891	8.0
357.29974	97.1
358.30109	3.9
363.71899	3.0
375.99121	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	357.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.5
55.05495	0.8
56.96550	0.5
57.07046	0.4
65.03922	0.4
67.05502	1.7
69.03419	1.1
69.07063	2.3
69.61676	2.3
70.06572	1.4
71.04964	0.5
72.08131	0.3
79.05497	1.7
81.03395	1.1
81.07053	4.2
82.63551	0.4
83.04982	0.6
83.08602	0.4
84.04469	0.4
84.04967	0.3
84.08096	0.5
85.02889	1.3
85.06525	0.7
86.09680	1.0
89.03793	0.3
91.05424	1.5
93.07025	2.0
95.04943	1.5
95.08614	2.2
97.02898	0.5
97.06510	0.8
97.10155	1.0
98.21466	0.6
98.97581	0.4
99.08104	0.8
105.07033	1.9
107.04950	7.5
107.08590	1.9
109.02865	0.8
109.06531	0.7
109.10159	1.5
111.04446	0.4
111.08092	0.5
111.11740	0.5
113.39467	0.4
115.05409	0.7
116.04967	0.6
117.06997	0.6
119.04968	0.6
119.08551	1.6
121.06512	0.8
121.10147	1.7
122.03663	0.6
122.06081	0.4
123.04390	1.1
123.08085	0.4
123.11678	1.1
125.09636	0.4
127.03906	0.5
131.04922	0.5
131.08574	0.5
133.06511	1.7
133.10114	0.9
135.08052	0.4
135.11670	0.7
136.07623	0.4
136.36002	0.3
137.05962	5.9
137.09555	0.4
137.13220	0.6
144.04440	0.8
144.05565	0.4
145.10091	0.8
147.04414	0.4
147.08029	0.8
147.11674	0.9
147.94228	0.3
149.05952	0.7
149.13196	0.4
151.03925	1.7
157.10170	0.4
159.11574	0.6
160.05101	0.4
161.05949	1.1
161.09639	0.4
162.05496	0.5
163.03825	0.4
165.05566	0.4
167.07063	3.6
172.03925	2.8
172.05249	0.5
173.13284	0.4
175.14760	0.4
177.00708	0.3
177.05438	0.6
177.16389	0.6
185.09578	0.6
190.13197	0.4
193.08524	0.7
201.07785	0.4
203.07021	0.5
204.06543	6.2
205.06712	0.4
205.08453	0.4
206.04224	0.6
207.07999	0.7
211.07689	0.3
221.06213	0.4
222.06734	0.4
235.07578	0.9
237.08983	0.6
237.11174	0.4
247.07623	0.6
249.05328	0.3
249.09244	0.5
250.06107	0.4
253.08929	0.4
264.07712	0.7
265.08652	0.7
267.10156	0.5
267.52118	0.3
277.08560	0.4
279.09991	0.5
281.08118	0.7
295.09424	0.4
297.10867	0.4
303.23120	0.5
307.09537	0.4
313.10739	0.5
321.24405	0.5
325.10739	1.1
327.12219	0.8
339.08661	0.6
339.12277	0.8
357.14038	6.1
357.18787	100.0
358.14847	0.5
358.19052	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	357.1331
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
53.03942	2.8
55.01620	2.0
55.01868	18.7
55.05507	2.3
57.47040	1.4
58.06580	1.5
58.11074	1.4
60.94491	1.5
65.03918	3.5
67.05491	3.5
68.37337	1.4
69.03434	3.4
69.07050	3.8
69.33884	15.8
70.06582	2.7
79.05489	5.8
81.03396	3.5
81.07046	9.1
84.08125	6.6
86.09697	1.8
89.03908	1.6
91.05472	10.4
93.03401	2.4
93.07027	3.8
94.04160	7.0
95.04968	3.5
95.08594	4.9
97.06569	2.4
99.04447	5.5
102.09164	2.3
103.05463	4.5
105.07038	5.4
107.04963	4.3
107.08575	2.2
109.02860	2.3
109.06493	5.8
109.10133	2.4
111.04420	6.7
114.28085	1.6
115.03920	2.8
115.05441	5.7
116.81950	1.6
117.03335	2.5
119.04888	2.3
119.08526	2.0
121.06484	2.8
121.10159	1.9
122.03629	13.6
123.11710	3.9
125.06004	2.6
127.03919	2.2
129.06969	1.8
131.04919	7.8
133.06465	3.0
133.10168	1.6
135.11644	2.1
137.05974	100.0
138.06299	1.6
143.04890	5.3
143.09389	5.4
144.04565	1.5
144.05643	3.6
145.02834	4.2
145.04964	1.9
145.06250	2.1
146.03624	6.4
147.04395	6.7
149.05952	6.2
151.03860	4.0
153.05458	5.6
155.04889	4.8
159.06516	4.2
159.07858	1.8
160.05151	3.0
161.05980	23.6
162.06743	4.0
163.07504	4.7
165.05489	30.8
165.06883	3.9
166.05800	1.8
167.07045	4.6
171.04381	3.5
172.03893	2.6
172.05212	4.0
173.05928	1.9
175.07556	6.4
177.05470	14.8
178.07806	2.0
179.07062	2.0
179.08524	5.4
181.06476	3.8
183.04399	3.1
183.74112	1.7
185.06071	2.2
187.07526	6.4
189.05476	2.5
189.06889	8.8
190.07739	13.0
191.06982	2.0
191.08549	15.2
194.07161	2.0
195.08029	1.7
202.07768	3.2
202.10701	2.4
203.07004	12.0
203.08630	3.0
204.06471	7.1
205.06487	5.6
206.07347	2.7
207.08005	9.8
208.08871	5.6
210.06839	1.8
215.06979	10.9
216.12250	7.0
217.06552	4.3
218.07265	22.3
219.08055	29.4
220.08804	3.4
221.05940	5.4
222.06700	4.4
223.07529	2.4
225.09024	2.1
229.06502	6.7
231.08069	2.2
233.05940	1.9
233.09486	3.1
234.06734	12.1
235.07520	16.3
236.08279	8.0
237.05399	2.4
237.09117	4.4
245.05971	3.8
246.06747	15.8
247.05252	2.3
247.07545	32.6
248.08253	4.9
249.05365	2.5
249.09087	13.9
250.06116	2.6
250.09811	1.8
250.15433	6.0
250.65605	2.0
251.07019	6.2
251.10576	4.1
252.07771	2.6
253.08479	3.6
257.05972	6.1
258.06802	2.7
259.07462	3.0
261.09103	30.7
262.06192	4.1
262.09824	1.8
263.07031	16.9
264.07794	14.1
265.08621	8.1
267.10150	6.6
269.08041	3.5
274.06213	15.5
275.06998	15.0
276.07666	6.3
277.08606	21.5
278.09286	8.5
279.06583	5.0
279.10123	16.5
280.10846	1.8
281.08035	3.9
283.09003	1.7
289.08591	43.9
290.09280	7.6
291.06482	5.5
292.07327	4.3
293.08179	3.1
293.11530	2.8
294.08832	5.4
295.09531	5.6
297.11111	2.6
306.08896	10.2
307.09622	78.4
308.09958	7.1
309.07736	3.1
309.11133	22.0
311.12726	3.5
321.11206	59.3
322.11389	2.5
324.09921	3.0
325.10898	3.1
327.12262	24.2
339.08328	3.5
339.12265	34.9
340.12723	1.8
357.09616	2.4
357.13452	11.7
358.13626	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.133
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
51.96522	1.3
53.03921	1.2
55.01869	18.8
55.05505	1.8
65.03937	3.0
66.04737	1.6
67.05497	3.3
68.99801	1.5
69.03406	2.5
70.66319	2.2
75.92895	1.1
79.05475	4.8
81.03398	2.8
81.07055	6.1
85.02885	1.8
89.03914	2.0
91.05452	10.0
93.07040	4.6
94.04178	7.8
95.04977	3.1
95.08588	3.0
103.05450	7.1
105.07041	6.0
107.04966	6.2
107.08595	2.0
109.02875	3.0
109.06493	6.1
109.10143	2.3
110.03671	1.4
111.04400	9.3
115.05441	6.6
116.06166	1.2
117.03368	3.0
117.06985	2.2
119.04923	2.0
119.08577	3.0
121.02833	4.3
121.06483	3.2
121.10180	1.2
122.03638	16.5
123.04394	1.7
123.11711	2.1
125.05999	4.2
127.03915	2.2
129.07036	1.9
130.04169	2.1
131.04921	6.3
133.06464	3.6
135.04440	1.6
137.05965	100.0
138.06300	2.2
143.04880	6.8
144.04428	1.8
144.05684	2.5
145.02771	1.9
145.06529	1.4
146.03609	5.7
147.04445	6.7
149.05980	3.4
151.03900	5.2
153.05479	5.4
155.04877	6.4
159.08054	1.9
159.11749	1.4
160.05190	3.7
161.05975	27.3
162.06737	6.7
163.03894	2.3
163.07497	4.0
165.05479	41.2
165.06950	5.0
167.06995	2.1
168.04213	1.8
171.04378	3.3
172.03899	2.7
172.05200	3.1
173.05948	2.1
175.07530	8.0
177.05453	14.3
177.06865	1.8
178.07758	3.4
179.08559	5.5
181.06490	3.2
183.04404	3.0
185.05948	3.2
187.07547	6.2
189.05424	1.9
189.06946	10.2
190.07785	13.6
191.08531	17.9
193.06467	2.4
194.07237	2.3
195.08005	2.9
197.05968	1.7
200.04630	1.7
201.07079	2.9
202.07803	6.2
203.07008	9.8
203.08655	2.7
204.06564	5.5
205.06441	6.4
206.07285	4.6
207.08041	12.7
208.08836	5.3
209.06018	1.7
215.06940	11.8
215.08496	1.3
217.06540	6.1
218.07265	24.9
219.08044	38.2
220.05150	2.7
220.08694	4.2
221.05960	5.9
221.09491	1.5
222.06732	1.6
223.07552	3.7
225.09122	2.4
229.06418	11.2
230.07314	3.0
231.07983	3.8
233.05919	2.1
233.09618	5.0
234.06725	10.1
235.07530	19.5
236.08273	10.4
237.05278	2.5
237.09160	3.1
238.06226	1.2
245.06006	3.0
246.06729	22.0
247.07529	37.3
248.08232	8.2
249.05438	3.2
249.09114	12.6
250.06239	3.1
250.09836	2.4
251.07158	6.6
251.10661	5.1
252.07826	3.1
253.08418	2.2
254.09511	1.6
257.05884	9.8
258.06796	2.1
259.07581	3.7
260.08447	2.1
261.09073	34.0
262.06238	7.3
262.09338	1.7
263.06992	20.3
264.07797	19.2
265.08618	8.4
266.09354	2.4
267.10150	5.0
269.08157	3.3
274.06250	17.9
275.06979	19.6
276.07742	3.5
277.08578	28.7
278.09290	12.1
279.06915	2.2
279.10104	20.6
280.10751	2.2
281.08066	2.7
289.08572	49.6
290.09280	9.7
291.06458	6.5
291.09741	2.2
292.07297	7.4
293.07956	5.3
293.11435	2.9
294.08768	9.0
295.09714	5.8
296.10324	1.9
297.11078	1.8
303.23151	1.6
306.08820	12.2
307.09610	89.6
308.10141	6.5
309.07721	2.7
309.11105	15.2
311.12753	3.7
321.11169	66.4
322.11572	2.8
324.09848	2.8
325.10614	1.7
327.12253	25.3
339.12250	42.4
339.16309	2.5
340.12524	1.9
357.06094	2.0
357.13425	7.2
357.18643	7.1
357.22879	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01862	1.4
55.05503	6.7
56.05033	2.1
60.04530	24.2
67.05170	1.4
67.05507	21.0
69.07068	7.1
70.06577	1.7
70.21853	3.4
71.04961	1.9
79.05491	7.7
81.03395	1.4
81.07059	30.9
83.08606	2.4
85.06513	1.5
91.05473	4.0
93.07061	5.5
95.04935	1.2
95.08054	1.4
95.08610	21.9
97.06553	1.5
97.10133	1.5
104.42512	1.1
105.07032	4.2
107.04951	3.4
107.08621	4.8
108.18500	1.1
109.10161	11.4
119.08609	3.0
121.10131	4.2
123.11696	4.0
129.79945	1.0
131.08615	1.5
133.10138	2.6
135.11681	3.1
137.09645	1.4
137.13176	1.1
145.10081	1.3
147.11707	1.9
149.09583	1.1
149.13264	1.5
154.12257	4.2
158.15425	5.1
158.63817	1.1
161.13220	1.7
167.07072	1.7
172.13243	1.1
191.78236	1.0
261.22107	1.9
274.27441	1.3
278.24481	1.8
279.23193	2.0
296.25864	8.8
314.26822	10.0
333.19101	7.9
351.20212	2.2
356.27951	100.0
357.28238	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
54.89141	1.0
55.01859	2.0
56.05025	1.1
56.96554	2.1
57.03447	1.3
65.03912	1.0
67.05494	2.2
69.03426	3.8
69.07066	5.2
69.98904	0.9
70.06593	11.0
71.04971	1.7
71.59080	1.1
72.08141	3.5
74.06054	1.4
79.05480	2.3
81.03399	3.1
81.07055	2.6
83.04960	1.3
83.08601	1.1
84.04490	2.1
84.08129	6.2
85.02897	3.9
86.09701	10.6
87.10052	2.2
91.05469	9.9
93.03374	0.9
93.07012	1.9
95.04970	2.1
95.08588	1.0
97.02869	2.0
98.97560	1.1
99.04444	1.8
103.05492	1.4
105.07012	2.9
107.04963	1.5
107.08545	1.5
109.02869	2.0
110.07204	1.2
110.09686	1.2
115.05448	1.4
116.04960	1.5
116.98605	1.0
119.01920	3.1
119.04916	4.5
119.08582	1.4
120.08092	1.5
125.09504	1.3
127.03901	3.5
129.10225	3.8
131.04889	1.1
134.08743	1.0
136.07567	1.4
137.05966	8.1
144.04445	4.9
147.04385	8.7
149.05974	2.1
151.11163	1.1
160.05087	1.2
161.05998	1.1
162.05443	1.3
165.05429	1.1
172.03914	15.4
177.05403	3.5
187.00879	1.8
187.05887	1.1
193.04910	2.6
197.12845	1.3
200.04672	1.1
202.09750	1.0
203.06975	3.5
204.06566	22.8
207.06363	1.3
210.06624	1.1
215.07022	2.5
219.07959	1.8
235.07468	2.5
245.06360	3.1
271.04272	1.2
271.11481	3.0
279.10037	1.3
281.08020	1.5
287.03702	3.8
289.05356	9.8
307.09464	2.4
309.11246	1.3
313.12595	27.4
316.33905	1.1
327.12024	2.0
339.08728	1.1
357.11493	100.0
358.11829	3.0
358.18326	26.0
374.14713	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00004	3.1
55.01854	2.9
55.05298	3.1
55.05510	34.1
57.03423	10.4
57.07062	13.8
58.11210	2.8
58.27407	2.6
65.03939	3.2
67.05502	84.0
69.07062	48.1
71.08621	4.9
71.75694	2.9
79.05484	33.9
81.07056	100.0
82.07414	3.3
83.08619	29.0
91.05466	23.2
93.07043	37.5
95.04973	3.8
95.08603	89.7
97.06535	10.2
97.10183	18.9
99.08047	5.4
105.07027	17.9
107.08592	26.3
109.10152	42.2
111.11699	6.4
119.08584	15.2
121.10135	35.0
123.11701	22.9
133.10164	19.9
135.11681	16.2
137.13242	7.5
147.11713	16.4
149.13260	15.7
149.36693	2.9
151.14870	7.8
161.13264	10.9
163.14813	13.5
165.16360	4.3
167.14427	3.3
175.14789	14.3
177.16359	3.3
179.17900	7.1
189.16432	7.2
203.18213	3.2
245.22626	47.5
263.23721	48.3
270.86963	3.0
337.27353	31.0
355.28229	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	37.6
70.12078	1.8
70.12479	1.2
71.95270	4.7
72.96041	1.7
74.94476	0.8
74.97594	2.7
81.07034	0.9
84.96025	1.3
92.98645	0.9
97.96787	1.0
102.97122	0.7
110.97554	4.5
115.97797	1.6
121.95446	0.8
123.01200	2.0
128.98601	12.9
132.79956	0.8
133.98894	1.6
134.99661	0.9
137.02773	1.6
141.02234	1.4
146.99655	20.0
152.00117	0.7
155.03784	2.4
161.01195	2.9
165.00731	5.2
170.01241	1.4
171.03291	1.6
175.02667	0.9
176.17874	0.8
179.02266	1.5
181.05379	0.8
183.06956	1.1
185.04857	1.1
189.04317	3.2
193.03703	0.7
199.06424	0.9
203.05913	3.2
221.04808	1.0
231.08955	0.8
241.11145	2.3
243.09061	1.1
245.10681	1.2
259.12180	2.2
263.09540	2.0
277.10907	1.7
303.12531	4.3
313.14584	0.9
315.16278	39.6
316.16675	2.3
317.14294	0.9
321.13712	1.1
331.15829	4.1
333.17358	100.0
334.17706	7.1
339.13388	0.8
349.17010	1.1
351.18436	29.6
352.18564	1.8
356.19019	19.4
357.19467	1.5
374.19952	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
50.56411	1.1
53.03932	1.7
55.01875	2.4
55.05508	41.2
56.96563	2.4
57.03437	11.8
57.07077	13.7
59.57016	1.3
65.03951	1.9
67.05502	81.4
69.03448	1.7
69.07066	46.6
71.04991	3.3
71.08622	8.0
79.05492	28.4
80.06261	1.3
80.39973	1.2
81.07053	100.0
82.07381	2.1
82.17175	1.0
83.04973	2.7
83.08617	37.2
85.06537	4.8
85.10171	3.4
91.05468	21.7
93.07043	28.0
95.04978	3.9
95.08603	85.3
96.08883	1.3
97.06526	10.0
97.10169	21.3
99.08102	5.2
103.03941	2.3
105.07034	14.3
107.08587	22.9
108.08947	1.4
109.06507	1.7
109.10155	42.1
111.08076	4.4
111.11742	6.3
113.09670	2.1
119.08569	14.7
121.10134	32.1
123.08032	2.2
123.11698	22.5
125.09653	2.9
125.13286	1.8
127.07581	1.5
127.11176	2.7
129.05501	2.3
133.10127	19.9
135.11685	15.4
137.09605	2.0
137.13243	13.4
139.11165	1.2
141.12733	2.3
147.11700	14.1
149.13260	14.4
151.11223	2.6
151.14815	8.0
153.12750	1.8
157.12228	1.5
161.13246	16.9
163.14815	13.1
165.12773	2.4
165.16365	7.4
167.14349	1.7
175.14818	12.3
177.16409	3.4
179.14340	2.9
179.17940	4.3
181.15849	2.3
189.16347	6.1
193.04901	3.2
193.15950	1.2
203.18034	2.7
217.19536	2.0
245.22652	48.8
247.24287	1.7
263.23688	47.1
264.24136	1.4
315.16269	2.2
333.17358	5.7
337.27386	29.5
338.27905	2.2
351.18436	2.1
355.28500	11.3
355.32370	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2838
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.05508	32.9
57.03435	8.8
57.07064	13.2
58.33646	5.6
67.05500	84.9
69.07069	48.5
69.26007	60.6
70.48405	4.2
70.95613	4.4
71.04985	4.7
71.08628	5.6
72.91958	4.3
76.98108	4.3
79.05490	33.0
81.07056	100.0
83.08608	34.2
85.06564	4.3
90.32005	5.1
90.41898	5.9
91.05475	15.2
93.07055	24.0
95.08601	73.9
97.06540	10.4
97.10156	19.0
105.06998	13.5
107.08583	27.0
109.10152	44.5
111.11716	7.5
119.08582	13.0
121.10145	29.6
123.11728	17.6
133.10141	16.8
135.11679	11.9
145.57997	4.6
147.11696	18.3
149.13264	18.1
151.14792	7.1
161.13307	12.9
163.14839	16.6
165.16383	13.9
175.14839	8.9
189.16434	4.6
245.22653	62.9
263.23700	59.0
321.00299	5.1
337.27313	31.9
346.90735	5.4
355.28360	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	355.284
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
51.03382	1.6
52.16051	1.5
53.03938	2.3
55.01871	1.9
55.05260	2.6
55.05510	34.6
57.02044	1.6
57.03437	11.4
57.07075	13.0
61.07382	1.7
64.47717	1.6
65.03934	2.7
67.05502	72.3
68.05811	1.8
69.07067	42.2
69.40845	15.2
71.04970	3.1
71.08618	5.3
79.05492	24.3
81.07053	100.0
83.04959	2.0
83.08612	31.2
85.06535	4.0
85.10156	1.7
88.07617	2.8
91.05474	20.3
93.07046	29.4
95.04960	1.9
95.08603	77.7
97.06540	10.0
97.10169	22.3
98.94632	1.8
99.08093	4.2
105.07036	11.6
107.08593	24.9
109.09454	3.2
109.10156	43.3
111.08079	5.4
111.11716	6.9
113.09628	2.6
113.88630	1.9
119.08574	15.9
121.10142	28.1
123.11696	22.8
125.13231	1.7
129.05473	2.0
133.10115	17.1
135.11681	16.1
137.09656	2.5
137.13229	7.1
147.11673	12.7
149.13290	11.3
151.11211	2.1
151.14764	8.4
153.12726	2.3
157.64076	1.6
161.13226	14.7
163.14825	16.4
165.16383	8.7
167.14319	1.8
175.14856	11.7
179.14265	1.8
179.17950	6.3
189.16328	8.0
203.17946	2.3
228.94807	1.8
245.22643	44.1
246.23026	2.4
257.12164	1.8
263.23694	45.3
264.24142	3.0
276.19757	2.0
289.43170	2.2
337.27313	23.9
355.28308	10.0
356.35349	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	355.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01854	3.5
55.05508	33.6
57.03424	9.2
57.07069	13.7
65.03918	3.5
67.05499	81.6
69.06718	2.8
69.07063	42.8
70.06583	3.7
71.04992	2.4
71.08626	7.5
71.60889	2.0
79.05486	29.0
81.07052	100.0
83.04960	3.3
83.08606	26.2
85.06490	2.6
85.10167	2.3
86.72398	1.8
88.07612	5.6
91.05462	18.0
93.07035	35.2
95.08601	85.2
96.08942	1.8
97.06531	11.2
97.10165	18.3
99.08072	4.3
105.07034	13.1
106.08628	2.9
107.08599	23.8
109.06438	2.9
109.10149	47.9
111.08069	5.1
111.11672	9.7
113.09628	2.0
119.08578	13.6
121.10136	34.7
123.08054	2.1
123.11707	21.5
125.09584	4.1
125.13266	3.7
133.10123	17.4
135.11707	18.0
137.09514	2.2
137.13298	9.9
139.11156	2.3
141.12802	4.2
147.11664	16.8
149.13228	16.9
151.14806	8.3
155.14325	2.1
157.10031	1.9
161.13286	16.0
163.14816	15.4
165.12733	1.8
165.16347	7.0
175.14777	11.8
177.16389	3.4
179.14191	2.8
179.17941	5.2
183.14040	1.8
189.16383	3.5
193.04906	10.1
203.17920	2.6
245.22638	52.5
246.23036	2.3
263.23703	52.7
264.24011	2.7
265.25104	2.4
267.17389	1.7
321.29279	1.9
337.27374	31.6
338.27951	2.6
355.28494	8.8
356.35202	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70116	0.4
53.03929	0.9
53.79576	0.5
55.01862	2.6
55.05483	2.2
56.05013	0.9
56.96536	1.3
57.03409	2.0
57.42033	0.5
60.46933	0.5
61.02907	0.9
65.03928	0.8
67.01849	1.0
67.05494	4.4
68.99776	0.7
69.03427	6.9
69.07040	1.9
70.06587	3.8
71.01334	0.9
71.04980	5.9
71.58870	0.8
72.08139	1.2
73.02887	1.7
79.05500	5.2
80.05009	0.8
81.03413	3.2
81.07047	5.5
83.04986	3.0
83.06064	1.7
84.04472	1.0
84.08105	2.0
84.08558	0.5
85.02907	4.7
85.06544	0.8
86.09271	0.5
86.09698	4.7
86.70809	0.5
87.04461	5.9
88.45419	0.4
89.03907	0.8
91.05435	7.3
93.07042	4.2
95.04434	0.7
95.04964	7.0
95.08572	1.9
97.02854	2.1
97.06519	3.0
98.97577	0.6
99.04420	1.2
102.05503	0.5
103.03893	1.6
103.05421	1.1
105.07033	6.8
107.04949	5.7
107.08609	2.8
109.02840	0.9
109.06487	1.8
109.10045	0.6
110.07162	0.9
111.04430	0.8
111.08033	1.0
113.06001	1.1
115.03934	0.9
115.05422	1.7
115.62060	0.6
116.06242	0.7
116.07063	0.9
116.98574	1.0
117.03356	0.7
117.05406	0.6
117.07040	2.9
119.04929	1.9
119.08561	6.2
119.59416	0.5
120.08068	1.1
121.06465	2.3
121.10117	1.0
123.04420	2.6
123.08040	0.7
125.05959	1.4
127.03879	0.8
128.06195	1.7
129.06972	2.9
129.10207	0.9
130.06459	1.3
130.07649	0.4
131.04883	0.7
131.08525	3.8
132.07997	0.5
133.06490	2.6
133.10117	2.3
134.03613	0.5
134.99596	0.6
135.04449	2.5
135.08005	1.4
136.07526	0.6
137.05974	3.3
137.09587	0.8
139.07539	0.8
141.06998	1.2
142.07774	0.9
143.08511	1.9
143.11739	0.6
145.02834	1.4
145.04993	0.5
145.06482	2.0
145.10103	2.2
146.04443	1.0
147.04424	1.9
147.08052	4.2
147.11717	0.7
149.05971	2.0
149.09593	1.7
151.03793	0.8
151.07550	1.0
153.01817	1.0
153.05499	0.6
155.08478	0.5
157.10089	1.2
158.07207	0.6
158.99637	0.6
159.08049	1.5
159.11668	1.2
161.05948	0.8
161.09572	1.3
163.03888	7.9
163.07521	1.1
164.04242	0.5
165.05553	0.8
165.09096	6.3
167.07037	3.1
167.08337	0.7
169.04898	0.6
171.08009	1.1
171.11703	1.2
173.06032	0.7
173.09575	1.1
174.67204	0.5
175.03879	0.8
175.07513	3.5
175.11147	2.2
176.07080	0.6
177.05435	0.9
177.09178	1.1
177.12723	1.7
179.07108	0.7
181.04968	1.5
185.09547	1.2
187.07637	1.2
187.11163	1.6
189.09111	1.3
189.12651	0.6
191.10655	0.9
193.04951	100.0
193.12189	1.7
194.05373	3.0
195.07838	0.6
196.14415	0.8
199.11136	1.6
201.05475	4.2
201.09192	0.6
203.05267	2.1
203.07112	0.6
203.10826	0.8
205.12222	7.8
207.13882	0.9
210.14969	0.7
215.10606	1.0
217.08694	0.6
217.12218	2.1
229.12105	0.8
233.11787	0.6
235.13297	2.7
241.12297	0.7
247.13310	0.8
259.13177	0.7
265.08551	0.7
277.14294	2.2
305.07849	0.7
309.16864	0.6
309.68494	0.6
311.10904	1.6
319.15527	1.4
337.10443	0.6
337.16669	1.8
339.60962	0.4
355.10342	6.0
355.17279	31.9
356.17569	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71378	0.3
59.57100	0.4
60.50256	0.4
61.02935	0.5
67.05489	0.6
68.57863	0.4
69.03415	1.3
69.07069	0.4
69.55421	3.3
70.06584	0.7
76.80402	0.3
78.76909	0.4
79.04236	0.3
79.05480	0.7
81.03407	1.1
81.07042	1.2
84.08171	0.4
85.02894	2.4
86.03217	0.7
86.09687	0.6
87.00833	1.0
91.05433	0.9
93.07034	1.0
95.08588	0.8
97.02889	0.9
97.06527	0.3
105.01850	1.3
105.07030	0.6
107.08560	0.7
109.10139	0.7
117.07008	0.4
119.04974	0.4
120.07977	0.5
121.10108	0.8
123.04408	0.6
127.03900	1.8
128.04245	0.8
137.05966	0.7
141.93755	0.4
143.49748	0.4
145.05003	0.5
161.02884	0.5
161.05943	0.4
163.03867	1.3
169.06387	0.5
175.07590	0.8
193.05029	2.0
193.08618	0.4
201.05490	1.1
203.05205	0.6
263.06946	0.4
337.14584	0.6
355.17255	100.0
356.17477	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1722
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
53.03937	0.3
55.01880	0.2
55.05499	0.4
67.05479	0.2
69.03432	0.3
69.07043	0.3
71.04978	0.3
71.20300	0.5
79.05474	0.5
81.07047	0.5
82.06576	0.2
84.08140	0.5
85.02905	0.3
86.09679	0.4
91.05425	1.2
93.07009	0.5
95.04963	0.4
95.08596	0.3
105.07008	0.3
107.04923	0.4
107.08585	0.4
109.06502	0.3
111.04400	0.4
117.07034	0.2
119.01856	0.2
119.04937	0.9
128.23389	0.2
130.04126	0.3
137.05934	0.8
141.33662	0.2
147.04404	0.7
149.06017	0.4
161.02943	0.4
163.03923	0.4
167.07013	0.9
175.03905	1.0
176.04677	0.8
177.05473	0.8
182.15471	0.6
193.04959	0.8
201.03688	0.8
201.05464	1.1
203.05251	0.9
206.05739	0.5
207.06529	1.2
210.14893	0.4
223.05933	0.5
224.06779	1.0
305.07919	0.2
337.16983	0.2
337.21100	0.2
355.17236	100.0
356.11063	0.3
356.17624	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1021
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
55.02311	0.2
57.28504	0.2
62.68516	0.2
67.01854	0.4
68.99772	0.3
69.66428	1.5
69.71568	0.2
85.02862	0.5
94.13865	0.2
95.20309	0.2
109.02906	0.3
125.05997	0.3
147.04393	0.4
151.03908	0.3
153.01839	0.5
165.29883	0.2
169.04955	0.5
193.04951	100.0
194.05267	1.8
292.35928	0.2
355.09894	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1021
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
70.06606	10.0
71.77598	1.8
76.02055	1.7
79.05474	2.5
84.73260	2.0
87.05026	1.9
89.03925	5.9
98.21450	2.5
117.03387	5.7
135.04414	14.0
145.02864	12.0
163.03896	100.0
187.73441	1.7
189.26788	1.7
193.04922	3.7
205.04907	5.2
206.05907	2.7
235.06029	6.3
259.06030	2.4
289.06891	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1021
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
50.73097	0.9
51.42141	0.9
52.57655	1.0
58.19703	1.0
58.19987	0.9
59.38222	0.9
59.63731	0.9
69.71495	6.8
79.05466	1.2
80.36081	0.9
89.03912	10.7
89.69097	1.0
105.04492	1.0
107.04955	2.4
107.71905	0.9
112.69002	1.1
117.03367	10.5
135.04401	20.3
145.02835	14.2
157.48883	1.1
163.03894	100.0
164.04268	1.5
169.23346	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01860	1.5
55.03460	1.2
55.05504	1.8
55.49237	1.1
56.05029	2.4
56.96548	1.8
57.03426	1.6
61.01128	2.6
64.87966	1.0
65.03912	1.8
67.05518	2.5
68.05010	3.2
69.03418	3.6
69.05361	1.2
69.07059	1.9
70.06600	5.5
71.04984	1.8
72.08111	1.6
78.04704	2.5
79.05468	4.6
81.03397	3.5
81.03871	1.4
81.07045	4.7
83.04980	2.3
83.06092	6.4
84.08123	3.8
85.02885	2.7
86.09681	6.3
89.03916	1.5
89.90457	1.0
91.05431	13.4
92.26249	1.2
93.07050	2.6
95.04976	3.5
95.08584	2.1
96.04483	1.7
97.06523	2.0
98.21605	2.2
101.07085	1.0
103.05448	3.7
104.06254	1.6
105.07037	12.0
107.04938	6.2
107.08547	1.6
109.06535	2.0
109.10129	1.3
110.07153	3.2
111.04420	1.5
113.05900	1.1
113.07121	15.4
114.07470	4.8
115.05463	7.9
117.03324	1.6
117.07011	8.1
118.21497	1.1
119.04945	5.1
119.08574	9.6
120.08106	6.9
121.06490	1.9
121.08434	3.9
123.04413	5.8
123.07976	1.1
124.05192	2.1
127.03889	1.1
128.06192	3.4
129.06987	6.3
129.10199	1.4
130.69785	1.1
131.04913	2.7
132.05733	5.5
133.02841	1.5
133.06512	9.5
133.10097	1.5
135.04405	4.1
137.05962	6.8
141.06995	14.4
145.02876	1.7
145.06491	3.7
145.10138	1.4
147.04407	3.1
147.08041	24.1
149.05939	1.7
149.09578	1.3
151.03856	1.6
151.07527	1.5
157.06461	2.0
158.03627	1.4
158.07262	2.2
159.08089	1.7
160.05168	5.5
161.05963	13.1
161.07445	3.6
162.07832	1.9
163.03903	12.7
163.11205	1.3
165.09097	1.4
166.08582	2.4
167.07037	56.0
169.06473	17.7
171.08177	1.5
173.06026	2.5
175.03946	3.7
175.07542	100.0
176.04604	1.3
176.07916	1.6
177.05377	3.1
179.07028	1.7
180.07735	1.4
181.04968	1.9
186.03165	1.6
186.06657	1.5
187.07571	2.6
189.07169	1.7
189.09111	3.7
191.07042	3.7
193.04971	20.9
193.08601	31.0
196.14438	3.3
201.05443	17.2
201.09120	6.8
205.06461	2.1
207.06516	3.8
207.88391	1.2
218.07137	1.2
223.06058	4.2
224.14023	1.5
231.08304	1.3
234.06700	2.2
235.07539	2.5
237.05415	1.2
248.08315	1.3
249.09090	1.9
251.06850	1.3
255.09569	1.3
262.06366	2.0
263.10577	1.7
265.08780	1.3
277.08676	1.6
291.09860	2.4
294.09332	1.3
297.46017	1.0
304.10754	1.2
305.08197	2.2
322.07913	1.2
323.09006	2.7
337.10602	2.7
337.14343	2.1
355.11642	2.9
355.15411	23.7
355.22983	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.102
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
51.34075	0.8
63.02362	0.9
69.03421	4.1
69.75406	1.7
69.75815	4.2
70.03764	1.2
79.05474	1.0
83.04972	1.4
85.02884	5.1
89.03911	5.9
97.02877	2.5
107.04961	1.9
109.46141	1.0
109.87769	0.9
113.32637	0.9
117.03378	6.4
119.01836	1.0
127.03944	1.5
135.04417	18.6
143.01862	1.4
145.02802	10.7
147.03168	1.1
161.02992	1.1
162.03117	1.2
163.03905	100.0
164.04269	1.6
173.02992	1.3
181.04839	1.0
183.55196	1.2
185.02887	1.2
186.02995	1.1
204.04216	1.1
222.41895	1.0
228.58565	1.0
243.92662	0.9
246.05232	1.8
247.04724	1.1
279.62250	0.9
355.09964	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.102
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
51.85531	0.5
71.33838	1.1
83.04971	0.6
89.03910	5.9
95.04962	0.5
107.04940	1.3
117.03364	9.3
126.74874	0.5
135.04413	16.1
145.02831	12.5
145.03984	0.8
163.03893	100.0
164.04240	1.2
169.90715	0.5
244.14630	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1025
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
50.33470	0.7
51.13598	0.8
53.03925	1.4
55.01879	2.0
55.05506	1.7
57.03428	2.2
65.03947	1.4
67.05491	2.4
69.03439	6.1
69.07061	3.1
69.56683	0.8
70.06590	3.8
71.04979	3.2
72.08141	1.9
73.02919	1.9
79.05492	4.7
81.03414	2.8
81.07039	2.5
82.06575	5.1
83.04966	3.3
84.04490	1.8
84.08131	3.4
85.02899	7.2
86.09717	4.8
87.04447	2.9
89.03908	9.6
91.05401	4.1
93.07039	3.1
95.04949	3.4
95.08605	1.6
97.02905	2.1
97.06535	2.1
99.04494	1.4
103.05434	1.5
105.03382	1.2
105.07013	4.9
107.04965	7.1
107.08602	2.3
109.02875	1.2
110.07141	1.7
111.04429	2.2
115.32870	0.9
117.03371	9.8
117.07024	1.5
119.04976	1.7
119.08569	3.5
120.08062	1.4
121.02908	1.0
121.06516	3.5
121.10149	0.8
123.04403	1.9
127.03907	1.4
129.06995	1.6
129.10258	1.8
131.08542	1.7
133.06499	2.4
133.10127	1.5
134.03606	3.0
135.04446	20.6
136.07573	1.3
137.05977	3.1
139.03885	0.9
145.02829	11.8
145.10039	1.0
146.04475	1.4
147.04390	2.2
147.08107	0.8
149.09578	1.1
159.08139	1.0
162.03116	1.6
163.03900	100.0
164.04152	1.3
167.06963	1.3
173.05905	1.0
175.07498	1.3
175.11192	7.0
177.12694	1.9
179.03398	1.6
180.07813	1.5
190.55376	0.9
193.04996	12.0
193.08632	1.5
193.12175	1.5
201.05417	4.3
205.06560	1.0
205.08362	0.9
207.02869	1.1
223.09441	3.0
229.19199	0.9
235.13255	1.7
243.08998	0.9
268.97656	1.0
277.08563	1.0
278.82681	0.8
285.00974	1.2
315.70837	1.0
319.15710	0.8
337.16501	1.9
355.13544	2.3
355.17593	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.12476	1.1
53.03938	3.5
55.01868	1.5
55.05511	14.9
57.03437	8.4
57.07082	5.1
65.03929	3.6
67.05502	100.0
69.07068	14.6
69.87269	4.8
69.87683	2.1
71.04996	2.7
75.04462	1.1
77.49023	0.9
79.05486	42.5
81.07053	99.3
83.08607	6.3
85.06541	2.7
91.05478	21.1
93.07039	57.9
95.04972	3.3
95.08601	76.2
97.06517	3.1
97.10184	3.3
98.20846	2.0
99.08073	1.4
105.06390	1.2
105.07034	16.9
107.08585	38.8
109.06509	2.0
109.10148	36.9
109.49567	1.1
111.08083	1.0
111.11758	1.4
113.09650	1.1
117.07028	8.0
117.18456	0.9
119.08575	14.2
121.10140	29.0
123.08033	1.8
123.11706	18.7
131.08562	18.3
133.10139	13.4
135.11693	23.3
137.09601	1.6
137.13229	5.6
145.10120	14.3
147.11667	10.1
149.13240	15.6
151.11127	1.7
151.14787	1.6
153.12814	1.6
159.11690	9.9
161.13242	7.6
163.14819	10.5
165.12740	1.5
165.16397	1.0
173.13260	12.2
175.14822	3.8
177.16377	2.9
187.14795	7.5
201.16348	2.0
215.17947	1.2
219.17441	1.2
233.22607	3.4
243.21086	15.1
261.22137	61.3
279.23184	4.3
291.70282	1.0
316.20517	1.1
335.25818	7.4
353.26892	14.8
353.92020	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.9
55.01867	6.4
57.03427	3.6
61.02915	5.9
65.58846	1.2
68.99782	2.8
69.03426	36.2
69.58291	7.3
69.58704	3.1
71.04985	3.4
73.02901	6.2
75.85898	1.5
81.03416	20.3
84.88503	1.3
85.02905	100.0
86.09650	1.7
87.00832	46.0
91.05446	1.5
97.02891	31.7
99.04440	14.0
99.17760	1.2
105.01866	83.1
106.72737	1.4
108.04505	1.8
109.02876	25.7
115.03910	1.6
117.01807	1.7
119.95967	1.4
127.03915	72.3
129.01831	4.4
142.13930	1.6
145.04955	33.9
147.02855	3.3
159.02893	10.4
189.03918	3.9
193.05035	1.9
201.05450	2.4
213.04050	2.2
219.42731	1.5
231.05014	19.2
249.05971	5.1
269.05566	1.4
355.17273	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	354.3364
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05507	13.1
56.05029	5.5
57.07067	16.7
58.06590	21.2
58.89237	2.1
59.06103	2.4
60.04524	9.2
67.05502	10.5
69.07067	25.4
70.02940	4.3
70.06580	8.2
70.85117	3.2
71.04987	2.8
71.08619	11.9
72.04518	2.8
74.06041	2.7
79.05476	4.0
81.07056	18.0
82.06544	2.8
83.08600	17.2
84.08119	6.0
85.10175	4.7
86.06062	3.8
89.21358	2.0
93.07021	2.4
95.08595	22.1
97.07619	2.6
97.10159	11.1
98.21422	2.1
107.08575	2.1
109.10154	7.5
110.07189	3.4
111.11700	4.6
120.57626	1.8
122.07126	2.4
123.08064	2.3
123.11678	5.0
149.08243	2.5
158.63861	2.0
161.08194	2.4
190.12329	2.0
210.57536	1.8
220.13847	1.7
226.39258	2.1
268.29953	3.8
294.31479	4.1
306.31409	3.3
307.30002	2.8
308.33096	5.2
326.34299	4.4
336.32593	16.0
337.31290	2.0
354.33640	100.0
355.28293	2.9
355.33807	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03940	2.7
55.01867	4.2
55.05262	2.0
55.05509	31.1
57.03433	12.5
57.07071	7.0
59.04977	1.4
65.03936	3.0
67.05502	87.0
69.03426	1.0
69.07063	32.0
70.78004	3.3
71.04981	5.0
71.08627	28.0
75.04472	1.4
79.05489	45.2
81.07053	100.0
82.07378	1.3
83.04959	4.2
83.08613	15.7
85.06516	3.7
85.10168	2.5
88.34855	1.0
89.06015	1.3
91.04909	0.7
91.05474	22.9
93.07039	55.9
95.04944	3.6
95.08603	75.7
96.45724	1.0
97.06539	7.6
97.10175	13.1
99.08086	23.5
105.07024	19.2
107.04977	1.7
107.08588	43.6
109.06487	2.8
109.10150	42.4
111.08083	3.1
111.11738	1.7
113.09622	2.6
115.05488	1.0
117.07009	7.2
119.08572	16.1
121.09308	2.0
121.10136	30.7
121.11002	1.8
123.08044	2.1
123.11700	13.1
125.09617	8.0
127.07503	1.1
127.11131	2.0
131.08560	17.5
133.10117	11.4
135.08061	2.1
135.11693	29.0
137.09604	2.7
137.13237	8.1
139.11174	1.7
143.08658	1.3
145.10095	15.0
147.11673	19.4
149.13251	17.4
151.14792	4.0
153.12753	4.3
159.11667	8.6
161.13229	8.9
163.11169	2.9
163.14809	9.8
165.12744	4.0
167.14343	1.4
171.11667	1.1
173.11819	2.0
173.13226	11.9
175.14810	2.3
177.12767	1.6
177.16444	3.5
181.15878	2.0
183.11855	1.3
187.14830	5.9
189.11221	4.2
191.14323	2.1
193.15834	2.2
200.10310	1.2
201.16252	1.8
219.17490	1.3
233.22655	2.9
237.27754	1.2
243.21053	13.3
261.22125	40.8
279.23145	16.8
335.25790	4.3
353.26831	39.9
353.30069	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44316	2.0
53.96869	1.9
55.05516	14.3
57.03434	2.4
57.07067	4.8
57.07922	1.8
58.70544	1.7
65.03917	2.3
67.05505	75.8
69.07070	10.5
70.07316	9.0
70.07610	2.4
71.04989	2.2
79.05492	46.8
81.07059	81.9
83.08612	5.5
91.05481	20.2
93.06461	3.6
93.07041	59.4
95.04985	3.2
95.08603	61.9
97.06516	3.5
97.10156	4.4
99.08075	2.1
105.07040	17.7
107.08595	35.4
109.06492	3.1
109.10159	35.6
109.69868	1.8
112.41280	1.8
117.06999	9.1
119.08585	12.4
121.10144	30.3
123.11703	17.1
131.08557	21.4
133.10127	15.1
135.11696	28.3
137.13275	8.8
139.11182	2.0
145.10127	13.1
147.11690	5.9
149.13281	22.1
151.14804	2.1
159.11696	12.5
161.13254	8.0
163.14810	10.5
173.13306	16.7
175.14825	2.5
177.16380	5.3
187.14810	9.4
219.17487	2.3
220.21947	1.9
233.20428	2.2
233.22658	5.6
243.21031	22.8
261.22150	100.0
262.22437	3.8
279.23257	3.3
333.76318	1.9
335.25797	7.0
353.26846	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	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03943	2.6
55.05509	13.5
57.03424	7.4
57.07063	5.0
59.39785	1.5
61.71278	1.5
65.03940	3.1
67.05502	86.3
69.07063	12.4
69.36274	17.8
71.04978	2.7
71.08627	2.3
75.04501	1.8
75.78497	1.8
79.05490	45.3
81.07054	99.2
83.08608	7.6
85.06542	4.3
91.05474	19.2
93.07043	48.8
95.04993	3.6
95.08604	73.6
97.06503	3.9
97.10141	3.6
105.07030	15.3
107.08595	37.0
109.06528	1.8
109.10155	38.0
117.07005	6.4
119.08570	15.0
121.10141	28.0
123.11691	18.5
131.08551	18.5
133.10129	12.8
135.11688	23.6
137.13266	9.7
145.10143	15.3
147.11694	11.0
149.13252	14.6
159.11707	12.2
160.45955	1.7
161.13310	9.3
163.14828	12.2
173.13196	16.2
175.14803	4.9
177.12746	1.8
177.16444	4.2
187.14703	9.6
201.16350	2.8
233.22691	6.5
243.21086	23.1
261.22137	100.0
279.23175	11.5
286.21936	2.1
335.25781	12.4
353.26871	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.5
54.32579	2.3
55.05506	11.5
55.64881	2.2
57.03427	4.6
57.07048	4.6
65.03937	3.2
67.05508	78.9
69.07062	11.2
69.56008	16.0
71.04996	5.2
79.05503	41.4
81.07060	83.7
83.05034	2.7
83.08604	7.4
91.05475	18.1
93.07047	55.3
95.08609	63.3
97.10172	2.5
105.07012	14.6
107.08603	30.7
109.10155	35.6
117.07008	7.0
117.21452	2.6
119.08610	13.0
121.10151	31.1
123.11697	15.3
131.08609	17.1
133.10133	11.6
135.11694	21.2
137.13287	6.1
145.10156	12.9
147.11736	9.7
149.13260	20.2
151.14857	3.3
159.11736	14.8
161.13298	10.7
163.14824	12.5
173.13269	15.3
175.14888	4.5
177.16393	5.7
187.14836	6.8
243.21091	21.0
261.22156	100.0
262.22565	2.6
270.37769	2.6
279.22885	2.3
283.47534	2.5
315.41702	2.4
327.44861	2.7
335.25940	6.7
353.26880	18.1
356.99216	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03943	2.4
55.05507	12.3
57.03431	4.3
57.07064	4.5
60.62202	1.7
65.03941	3.3
67.05505	82.5
68.67834	1.8
69.07075	11.8
70.37746	6.2
71.04987	2.7
77.95829	1.5
79.05492	41.7
81.07057	85.4
83.08615	7.6
85.06528	3.1
91.05487	21.3
93.06462	3.4
93.07040	59.6
95.04986	3.6
95.08605	67.7
97.06538	4.2
97.10156	2.4
99.08097	2.6
105.07030	18.1
107.08588	37.5
109.10155	35.5
113.09622	2.2
117.07024	9.0
119.08562	12.8
119.09249	1.6
121.10139	28.8
123.08083	1.8
123.11711	16.2
131.08578	21.0
133.10118	14.0
133.54781	1.8
135.11700	30.5
137.13274	6.1
145.10150	12.8
147.11688	9.7
149.13255	19.7
151.11232	1.8
156.94365	1.8
159.11699	15.1
161.13261	10.2
163.14778	10.0
173.13268	16.9
175.14845	3.7
177.16403	4.0
184.62527	1.9
187.14767	11.3
201.16368	3.0
219.17503	1.7
233.22676	3.6
243.21098	22.7
261.22147	100.0
279.23029	2.3
335.25769	7.0
353.26834	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	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.50692	2.2
55.05502	17.0
57.03418	4.6
57.07066	5.0
57.74289	2.6
65.03947	3.8
67.05505	93.0
69.07053	12.5
79.05061	3.2
79.05495	45.8
81.06573	5.4
81.07055	100.0
83.08608	7.5
85.06541	3.0
91.05486	21.6
93.07038	56.3
95.04967	4.6
95.08604	79.4
97.10165	3.9
99.08089	2.7
105.07047	18.7
107.08588	45.6
109.10152	42.8
114.60113	2.8
117.07021	8.0
119.08590	14.1
119.61342	2.6
121.10142	30.6
123.11727	22.8
131.08553	21.7
133.10124	15.1
135.11699	29.3
137.13260	9.3
140.34402	2.3
145.10117	13.3
147.11668	11.3
149.13264	21.0
159.11717	9.8
161.13214	7.9
163.14838	8.3
173.13275	15.1
175.14864	3.3
177.16425	5.5
187.14842	9.0
233.22676	6.9
234.56973	2.9
243.21028	21.0
261.22144	89.9
266.36359	2.8
279.23264	6.1
335.25806	8.0
353.26785	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
55.05503	13.9
57.03430	3.1
57.07067	5.5
63.43615	2.1
65.03934	4.7
67.05502	86.1
69.07067	12.6
70.11759	4.4
70.12180	8.7
70.57502	2.0
71.04985	5.3
76.01140	2.2
79.05490	47.3
81.07050	90.9
83.08613	7.2
91.05484	16.9
93.07037	55.8
95.04958	2.7
95.08601	72.0
97.06521	3.1
97.10174	3.9
105.07027	18.8
107.08583	32.5
109.10153	35.1
111.08003	2.0
117.07012	9.4
118.22257	2.1
119.08569	17.3
121.10137	26.9
123.11705	20.3
131.08559	22.0
132.86824	2.2
133.10123	10.5
135.11674	27.2
137.13223	6.9
139.11288	2.3
145.10133	16.5
147.11694	8.7
149.13260	24.3
159.11700	17.6
161.13261	9.0
163.14813	14.2
173.13283	20.4
175.14818	3.1
177.16403	4.5
179.14345	2.4
187.14803	8.6
201.16324	3.5
213.48613	2.3
233.22603	3.6
243.21098	20.6
261.22134	100.0
279.81348	2.3
335.25793	6.4
353.26871	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.50642	1.2
53.03941	4.0
55.05516	18.9
57.03431	5.1
57.07070	5.1
65.03947	3.1
67.05504	95.2
69.07071	15.2
70.06437	5.6
71.04993	1.8
71.08617	4.1
75.04503	1.5
77.03947	1.3
79.05489	56.1
81.07056	100.0
82.07409	1.6
83.04989	2.0
83.08623	7.4
85.06544	3.7
85.10184	1.8
91.05476	30.0
93.07043	73.5
95.04974	4.3
95.08604	81.3
97.06505	3.0
97.10152	4.7
99.08110	7.3
105.07032	22.9
107.08598	45.4
109.06508	3.6
109.10154	27.2
111.08029	1.7
113.09666	4.4
117.06985	10.1
119.08568	15.0
121.10145	34.4
121.57687	1.3
123.08055	2.1
123.11700	16.0
126.78249	1.1
131.08569	29.4
133.10126	12.2
134.54813	1.2
135.11691	29.2
137.13234	10.1
139.11191	2.3
145.10124	21.3
147.11707	10.7
149.09627	1.7
149.13264	23.2
151.11113	1.5
151.14832	3.7
152.77768	1.2
153.12747	2.6
159.11676	15.2
161.13300	10.7
163.11191	1.6
163.14809	18.5
165.12759	1.4
165.16379	1.4
173.13260	18.6
175.14819	4.8
177.12782	1.6
177.16414	7.9
179.14293	1.9
187.14806	13.3
191.14284	1.9
201.16443	3.7
201.30492	1.2
205.15836	1.6
209.15454	1.6
215.17938	1.4
232.69920	1.1
233.22633	6.3
243.21088	36.5
261.22144	95.9
279.19775	1.4
279.23242	3.8
335.25815	10.5
353.26917	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	353.1379
Annotation	Daldinone D
Peak:m/z	Relative Intensity
51.13534	2.1
51.31742	1.9
55.05497	5.1
55.31168	1.9
56.37861	2.0
67.05491	10.2
69.07052	4.8
71.59696	4.1
79.05489	10.1
79.72848	2.1
81.07051	11.5
82.07344	2.4
83.04967	2.2
91.05473	6.2
93.07039	7.8
94.07387	2.3
95.04931	2.4
95.08582	6.2
103.05417	2.8
105.07019	8.6
107.04946	6.7
107.08583	4.9
109.10133	3.6
115.05340	2.2
118.04140	3.6
121.10135	3.5
124.13597	2.1
131.04945	14.1
133.10139	5.2
135.11693	2.4
137.09659	4.0
141.06924	2.9
145.10115	2.5
147.11690	2.9
148.12051	2.7
167.07016	12.5
173.06027	3.3
176.04750	3.7
189.06943	5.5
190.07776	7.8
191.07024	56.3
199.07513	5.8
202.07790	4.3
203.08571	10.1
204.09271	3.0
205.10181	4.9
207.08119	5.1
215.08603	11.2
218.07280	18.0
219.08089	6.8
229.06560	5.6
230.07401	2.5
231.08000	8.0
232.08881	7.4
233.09590	21.1
235.07574	7.9
243.08046	5.0
243.20226	3.0
245.06224	3.0
246.06679	13.2
247.07550	7.5
249.09163	6.8
250.09961	4.3
255.39508	2.2
257.05872	6.0
259.07550	6.1
260.08325	8.8
260.20825	2.4
261.09070	31.2
261.21533	3.4
262.06561	2.6
262.09796	3.7
263.07074	14.9
263.10449	2.3
273.09250	2.6
274.06232	6.7
275.07028	7.9
277.08569	8.4
278.09326	13.8
288.07922	3.3
289.08566	61.2
290.09256	11.3
291.06473	6.3
292.10898	2.6
293.08813	2.7
293.11649	14.2
295.05969	2.5
303.10022	3.4
305.08093	4.9
306.08838	18.7
307.09732	4.9
321.11182	100.0
322.11838	5.9
323.09103	5.4
324.38434	2.2
325.14230	3.7
338.11667	4.5
353.13828	77.3
353.25751	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	353.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
53.13411	2.6
55.05503	14.5
56.05014	3.0
56.96550	4.7
57.03449	5.7
60.04520	3.8
65.03949	5.9
67.05506	29.0
69.03435	19.9
69.07063	18.3
70.06590	13.6
71.04992	85.1
72.08166	26.1
73.08483	5.2
76.90866	3.1
79.05475	10.6
81.03421	11.8
81.07058	88.6
82.06541	3.2
83.04983	4.8
84.04529	5.0
84.08146	19.4
85.02906	32.0
85.06548	12.7
86.09706	12.6
87.04448	3.4
91.05479	54.1
93.07030	7.9
95.04988	6.6
95.08605	82.5
97.02898	10.8
97.06525	3.1
98.97591	8.0
99.04439	6.6
105.07028	9.8
107.04952	3.6
107.07337	5.3
107.08584	10.1
109.02903	5.9
109.06497	3.5
109.10112	15.3
110.06046	3.3
110.07144	2.8
111.04459	4.1
111.08092	3.8
116.07028	2.9
116.98626	5.3
119.04922	4.8
119.08615	5.6
119.94126	2.8
120.08097	14.9
121.08450	4.6
121.10184	8.0
122.06025	6.0
123.04469	6.6
123.08073	3.5
127.03876	6.5
129.07018	3.7
129.10260	6.4
130.06514	30.0
131.08569	6.8
132.08121	3.9
133.10112	3.4
134.06020	15.9
134.99689	4.2
135.06386	3.1
135.08031	3.4
135.11746	5.1
136.07573	19.4
137.07919	4.4
137.13281	20.0
145.05058	4.3
145.06429	4.3
145.10127	5.0
146.06001	3.3
147.08086	5.7
147.10019	4.2
148.07486	14.4
148.11182	5.3
149.07953	10.2
150.05504	31.0
152.07085	23.1
155.14311	100.0
159.09164	7.1
161.05954	3.0
161.98532	3.0
163.03938	3.4
163.07484	3.9
163.08690	13.6
164.07086	6.9
166.08632	6.9
167.07062	3.6
167.09030	4.7
170.99803	3.2
173.13235	4.0
173.15405	20.7
175.11198	4.5
177.05244	3.5
178.56897	2.8
179.03355	6.6
181.98805	3.0
191.07047	11.4
191.10704	4.4
191.14326	12.4
191.16409	24.7
193.09766	4.1
207.06503	4.5
208.13266	3.5
225.08708	12.2
233.09834	3.0
237.02892	4.1
249.10275	6.5
267.11316	4.6
275.11841	11.8
281.12753	19.2
292.14536	3.8
293.12299	11.4
303.12790	6.0
310.15533	14.4
335.12451	5.7
337.11917	6.2
353.14111	51.0
353.19611	5.8
354.14655	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.1
56.96552	0.9
58.99847	0.8
67.05494	1.9
69.07063	1.8
71.60037	0.9
77.00902	3.6
79.05487	1.4
81.03466	0.7
81.07062	3.5
83.04969	0.7
83.08629	1.5
85.06522	0.6
91.05459	0.7
93.07035	1.9
95.01937	1.9
95.04984	1.0
95.08618	2.1
97.06499	0.6
97.63653	0.5
99.04456	0.5
105.07037	1.5
107.04941	1.2
107.08560	1.3
109.06521	0.9
109.10149	1.8
119.08572	0.9
121.10151	1.4
123.08069	0.7
123.11678	0.8
125.09673	0.6
131.08580	0.8
133.10202	1.2
135.11711	0.5
137.05989	1.2
137.09604	1.0
139.11230	0.6
143.64395	0.5
145.10117	0.8
147.11667	1.3
151.07588	0.5
152.16338	0.5
163.11227	0.5
177.05492	0.6
181.06699	0.6
190.07811	0.9
191.07018	1.7
199.07657	0.7
201.09564	0.8
213.09814	0.7
215.11243	5.4
218.07292	1.0
227.11293	0.9
231.08215	0.6
231.10713	1.2
232.08752	0.6
233.09647	1.4
233.12376	1.7
235.07384	0.6
239.11313	0.6
241.12964	0.9
243.14401	4.1
253.12894	4.1
260.08441	1.2
261.09146	2.1
261.15414	1.2
271.13904	6.0
277.08542	0.8
278.09460	1.4
289.08640	1.7
293.11636	1.4
306.08844	1.0
307.09589	0.8
317.19650	2.0
317.24789	1.2
321.07767	0.9
321.10986	3.0
323.09250	0.7
325.14365	0.7
335.20770	6.5
335.25821	1.3
353.14105	5.5
353.22958	100.0
354.23267	3.7
371.22925	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	353.0841
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
56.96555	2.5
69.30271	1.0
69.96220	6.0
82.12670	1.1
85.02901	3.7
85.47791	1.0
89.39161	1.2
94.93027	2.6
98.20809	1.2
101.00880	2.7
119.01901	3.8
127.02418	5.1
131.01909	4.4
133.03343	1.5
143.01889	1.2
145.03447	30.7
145.04631	1.6
146.99582	1.4
155.01909	1.9
157.03432	8.2
161.02975	3.2
163.04514	4.5
169.03520	1.4
173.02911	7.8
175.04552	4.3
185.02902	3.5
187.04478	2.3
190.98647	2.5
191.04022	18.6
203.03954	5.2
208.99748	2.9
209.04951	1.8
232.99698	2.1
233.05051	27.2
245.05080	9.7
251.00705	3.0
251.06139	9.6
263.06140	3.5
266.06158	2.3
275.06287	1.5
277.92386	2.6
293.07269	3.5
316.86154	1.2
353.08450	100.0
353.12622	4.4
354.08759	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	353.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44800	1.2
52.24056	0.9
60.71882	0.9
68.82604	0.9
71.11744	1.9
79.05479	2.7
90.99304	1.1
91.05473	2.8
95.04965	1.3
103.05464	6.0
105.07012	1.7
107.04958	5.9
115.05425	1.1
116.19841	0.9
117.07014	0.9
118.04142	6.6
119.04957	1.4
119.08579	1.9
123.04384	1.1
128.06218	1.9
129.07004	1.7
130.04149	3.8
131.04932	13.2
131.08498	1.1
132.05696	1.6
133.06500	1.6
135.04405	1.4
141.07042	2.0
145.06479	1.6
147.04384	3.5
148.05196	2.3
156.05653	1.4
159.08061	2.6
160.05098	1.3
161.05960	3.4
163.07584	0.9
163.27792	0.9
165.06851	1.6
167.04982	1.5
167.07048	16.6
171.08052	3.7
173.05988	1.7
175.07556	2.3
176.04724	8.6
178.07904	0.9
179.07063	1.7
179.08563	1.4
184.05215	1.4
189.06940	5.2
190.07768	9.5
191.07027	64.0
191.08502	3.0
192.07445	2.4
199.07510	7.2
201.07034	2.4
202.07748	6.1
203.08545	10.1
204.09258	3.1
205.06543	1.6
205.10109	4.5
206.07195	2.3
207.08101	4.5
214.07751	1.0
215.08571	15.5
216.09259	1.9
217.06467	1.9
218.07253	17.8
219.08015	7.4
220.08768	1.3
221.09515	2.1
229.06494	8.3
230.07253	1.9
231.08025	10.7
232.08876	6.8
233.09605	27.7
234.10254	2.9
235.07581	11.4
236.08325	1.3
243.08034	7.9
244.08681	2.6
245.06039	3.5
246.06746	17.2
247.07524	10.9
248.08295	1.7
249.09012	5.7
250.09883	4.2
251.06929	1.0
257.05933	7.5
258.06696	3.2
259.07513	6.5
260.08334	8.6
261.09100	36.0
262.09671	6.0
263.07031	13.4
264.07657	1.7
265.12247	2.0
271.07477	2.7
273.05609	1.6
273.09091	5.9
274.06241	12.9
275.06998	6.0
275.10544	2.2
276.07745	2.1
277.08603	9.2
278.09363	14.0
279.09991	2.4
288.07733	3.3
289.08575	83.3
290.09311	20.7
291.06442	4.9
291.09943	3.9
293.11691	13.3
294.11935	1.7
295.09537	1.5
303.10092	2.5
305.08093	3.1
306.08832	15.1
307.09494	5.7
321.11203	100.0
322.11685	11.4
323.09216	3.5
325.14294	3.0
338.11343	3.5
353.13809	61.1
354.14221	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	352.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.4
54.44894	1.4
55.01862	6.5
55.05502	1.7
57.03424	5.6
61.02935	6.9
61.03202	1.3
67.05496	2.9
69.03078	2.6
69.03426	39.8
69.07067	7.0
70.06576	3.3
71.04974	6.4
71.17980	2.7
71.18324	1.9
72.08131	1.5
73.02917	7.7
79.05496	2.2
81.02969	2.3
81.03414	24.5
81.07051	2.7
84.08138	3.0
85.02899	100.0
86.09690	3.7
87.00824	38.4
87.04447	2.0
88.52794	1.5
91.03932	2.1
91.05495	2.6
93.07019	2.1
95.04958	1.4
95.08596	4.3
95.43642	1.4
97.02879	36.2
97.06496	1.9
98.97553	2.1
99.04446	15.5
101.02355	1.5
105.01862	72.7
105.07025	3.7
107.04946	3.2
108.04468	4.0
109.02208	2.1
109.02873	22.4
110.07154	2.0
111.08056	2.6
112.56476	1.3
115.03871	1.9
117.01839	2.5
120.08095	2.4
123.04411	2.6
127.03909	74.1
129.01778	3.0
137.09579	1.6
140.07030	2.0
145.03902	2.4
145.04956	33.7
147.02866	2.9
150.73338	1.3
152.07008	3.1
159.02890	15.9
160.05276	1.9
163.07466	1.4
166.08617	1.8
167.07043	2.2
171.02800	1.3
177.09129	2.7
185.05804	1.6
189.03917	3.1
191.07060	3.6
195.10112	1.6
213.04050	3.1
231.05013	19.5
248.09222	1.9
249.06065	6.5
281.10199	2.1
289.08420	1.9
289.64908	1.3
321.11176	4.8
353.13831	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91592	2.1
53.03939	3.7
55.05509	16.8
57.03426	10.3
57.07073	4.2
65.03952	2.8
65.84867	2.1
67.05167	3.7
67.05502	53.4
69.07063	15.4
70.97609	2.8
70.97918	4.2
71.04987	4.2
75.04471	3.4
76.54876	2.1
79.05489	60.3
81.07053	54.6
83.08611	8.0
85.06535	4.4
91.04905	2.2
91.05477	54.8
93.07036	100.0
93.74224	2.6
95.04970	5.3
95.08607	41.9
97.06540	5.2
97.10172	5.0
99.08076	4.2
100.32037	2.5
105.06419	2.1
105.07023	54.2
105.07555	2.0
107.08588	56.4
109.06566	3.2
109.10146	12.4
113.09664	3.2
117.06992	14.7
119.07778	4.7
119.08574	53.3
119.09358	4.6
121.10136	48.8
123.11704	3.7
125.09657	2.5
129.07002	7.1
131.08578	19.0
133.10129	51.9
135.08109	2.9
135.11685	40.5
142.84782	2.6
143.08565	9.6
145.10110	22.8
147.11690	52.1
149.09648	4.4
149.13255	27.7
157.10133	13.4
159.11682	20.5
161.13255	38.4
163.11145	3.8
163.14816	8.5
171.11676	14.5
173.13269	13.8
175.14786	22.0
185.13283	16.7
187.14766	5.1
189.12672	5.0
199.14812	11.6
201.35358	2.7
202.57536	2.3
203.14337	3.1
206.74274	2.4
213.16451	5.7
217.19534	4.0
231.17667	2.9
231.21127	10.6
241.19514	38.4
259.20557	95.7
260.20987	4.9
277.21710	13.6
333.24173	11.0
351.12021	3.4
351.25302	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.1
53.16243	2.3
55.01871	3.5
55.05507	23.5
56.96560	7.4
57.03427	12.0
57.07063	6.7
57.72786	2.1
59.04966	2.5
60.21223	2.2
62.98808	2.5
65.03934	3.0
67.05502	64.9
68.05838	2.6
69.03426	3.0
69.07072	19.6
70.79205	2.4
70.79539	6.7
71.04993	6.6
71.08623	21.1
79.05490	70.0
81.03419	4.6
81.07053	70.1
83.04970	5.7
83.08604	13.9
85.06550	4.3
91.05476	65.1
92.05795	2.8
93.07037	84.1
95.04964	12.8
95.08603	43.4
96.37548	2.8
97.06517	6.0
97.10147	4.1
99.04376	2.6
99.08093	15.5
105.07030	71.0
107.08591	49.7
108.08968	2.7
109.06590	3.5
109.10155	24.7
109.22535	2.7
113.09637	3.7
117.06996	17.5
119.08577	62.5
120.08871	2.6
121.10142	30.6
123.11666	5.7
125.09638	3.3
129.06985	12.8
131.08565	20.6
133.10135	47.6
135.11697	37.7
142.07822	3.3
143.08595	12.6
145.10114	23.8
147.10623	4.8
147.11687	51.9
149.13272	27.9
151.11166	10.2
157.10127	11.1
159.11713	16.2
161.09525	4.1
161.13251	46.0
163.11157	7.0
163.14795	5.8
171.11697	13.7
173.13237	12.6
175.11290	2.7
175.14766	20.1
177.12814	5.6
179.14336	7.0
185.13245	14.8
187.14839	3.5
189.12744	4.1
191.17677	2.7
199.14841	6.3
212.18158	2.4
212.43085	2.5
213.16284	4.0
215.18005	3.5
217.15834	2.4
217.19554	5.3
231.17540	3.5
231.21066	10.4
241.19508	32.1
259.20566	100.0
260.20993	3.3
261.49420	2.4
276.07928	2.6
277.21634	22.0
290.09348	2.9
291.10062	4.5
294.63794	2.5
302.67368	2.4
319.09619	15.8
320.10040	4.6
333.24332	4.2
351.12387	15.0
351.18533	5.5
351.25278	68.1
365.58652	2.6
367.61667	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	352.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
55.01871	12.6
55.05497	3.9
57.03430	7.2
61.02916	8.2
67.05496	4.6
68.99796	3.5
69.03427	40.6
69.07062	30.7
70.06589	6.4
70.66422	8.5
71.01366	3.2
71.04987	3.9
72.08147	6.4
73.02927	5.8
79.05496	5.7
81.03410	29.7
81.07051	11.5
83.01369	2.6
84.08133	4.8
85.02903	100.0
85.06539	5.8
86.09696	4.3
87.00829	44.1
91.05463	9.0
93.07042	10.0
95.04970	3.9
95.08598	4.5
97.02885	43.0
97.06542	6.1
98.20795	3.3
98.97580	4.0
99.04462	14.0
102.02097	2.4
105.01863	63.8
105.07048	5.0
105.07791	2.5
107.04971	3.7
107.08637	3.5
108.04494	3.6
109.02866	27.6
109.06537	4.2
111.04455	3.0
111.08074	9.3
117.01898	3.4
117.07050	3.7
119.08616	3.5
123.08038	3.5
127.03915	73.7
131.08615	5.2
135.08037	5.3
137.09625	3.3
138.05476	5.2
139.05826	4.7
145.04944	40.2
147.02815	2.9
147.08089	5.5
152.07103	6.6
153.07379	4.3
153.09131	8.7
159.02898	16.0
159.08066	3.7
164.24794	2.5
165.09167	7.2
177.09125	10.9
180.06546	10.5
181.06873	17.0
189.04012	4.9
190.14355	5.6
192.24823	2.8
195.10168	22.4
198.07593	11.8
199.07907	11.7
202.81322	2.6
213.04008	3.0
231.05022	21.7
236.96213	2.4
249.06071	6.0
299.11148	4.2
328.47147	2.8
352.13968	4.4
353.13828	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.3
55.05509	18.7
57.03429	8.2
65.03922	2.8
67.05502	46.3
67.58049	2.3
69.07051	16.3
71.04975	4.2
71.11600	3.5
71.11938	4.1
79.05486	69.8
81.07056	60.2
83.08609	6.3
84.74606	2.5
85.06532	4.3
89.82586	3.1
91.05477	51.5
93.07039	100.0
95.04976	5.3
95.08601	37.3
97.06499	3.1
105.07021	57.5
107.08585	52.5
109.06486	4.2
109.10152	13.8
113.09663	2.7
117.07019	14.3
117.07719	2.6
119.07787	3.6
119.08580	47.6
121.10141	42.4
123.08099	4.7
123.11689	2.6
129.06995	4.4
131.08534	17.6
133.10120	47.8
135.11694	51.2
137.05951	7.7
143.08562	8.8
145.10121	23.9
147.11681	39.1
149.09612	4.9
149.13260	27.3
153.73991	2.2
157.10139	7.8
159.11691	19.1
161.13255	30.5
163.11174	2.6
163.14783	6.5
165.12766	2.4
171.11713	12.0
173.13290	12.2
175.14742	12.2
176.82504	2.4
177.12703	3.7
185.13156	11.4
199.14818	4.0
207.31401	2.3
213.16418	4.2
231.21034	4.3
241.19484	34.1
259.20544	93.0
260.20963	2.5
277.21570	13.3
290.70370	2.5
333.24191	10.1
351.25235	76.6
373.67197	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.6
53.03929	2.9
53.65620	1.4
55.05506	15.8
56.96571	1.6
57.03426	5.2
57.07058	3.4
60.03894	1.3
67.05176	2.8
67.05504	36.5
69.07057	12.0
71.04985	3.4
71.11290	3.2
75.04446	1.8
79.05487	56.4
81.03423	1.5
81.06575	2.6
81.07050	49.8
83.04998	2.5
83.08594	6.1
83.24873	1.4
85.06512	4.0
91.05478	48.4
93.07038	73.0
95.04955	8.2
95.08601	33.7
97.06527	2.3
97.10135	2.8
97.42797	1.3
99.08079	3.9
103.05438	1.4
105.07024	58.1
107.04918	1.7
107.07860	2.8
107.08584	38.0
109.06505	2.1
109.10135	11.3
110.87772	1.4
113.09668	2.3
115.07514	2.5
117.07026	11.2
119.08575	51.3
121.10135	32.8
123.11736	1.6
128.06174	2.0
129.06999	8.8
129.15819	1.6
130.07758	2.1
130.77287	1.8
131.07611	1.7
131.08556	21.8
133.10126	47.0
135.08072	1.6
135.11694	34.7
142.07870	1.4
143.08571	9.1
145.10120	20.2
147.11671	55.3
149.09654	3.5
149.13252	22.2
150.13667	1.6
153.99706	1.4
157.10103	10.8
159.11681	20.1
161.09590	2.0
161.13245	34.3
163.11206	3.3
163.14822	6.2
171.11679	13.0
173.13234	10.9
175.11208	1.6
175.14830	15.7
177.12674	3.5
185.13280	10.6
187.14746	2.5
189.12744	2.5
199.14757	8.4
213.16338	6.0
217.46902	1.6
231.17465	2.8
231.21028	8.3
241.19510	34.3
256.72321	1.7
259.20563	100.0
260.20828	4.1
261.22333	2.0
277.21619	3.9
294.97916	1.5
333.24255	3.1
334.74637	1.6
351.18756	2.9
351.25266	51.6
369.19421	1.8
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
51.47859	2.1
53.03936	3.8
55.01861	4.6
55.05516	27.6
55.67012	2.4
55.95700	2.3
56.38195	2.5
57.03183	3.6
57.03436	46.2
57.07073	3.2
65.03922	3.9
67.05501	72.7
69.06788	2.1
69.07072	24.5
71.04990	5.9
71.12073	5.5
79.05488	75.7
81.07054	86.0
83.08611	20.4
85.06528	9.1
91.05477	54.8
93.07040	100.0
95.04965	9.9
95.08600	67.4
97.06535	7.0
97.10171	4.5
99.08081	6.3
105.07027	55.0
107.08595	60.4
109.06493	8.5
109.10162	27.6
111.08080	5.1
113.09628	5.0
117.07004	11.3
119.07796	3.3
119.08582	45.9
121.10132	43.6
123.08093	3.6
123.11695	6.9
125.09607	3.9
126.22246	2.2
129.06966	8.2
131.08560	20.5
133.10133	42.8
135.08167	3.3
135.11688	42.6
143.08562	7.7
145.10100	25.5
147.11684	47.0
149.09630	3.1
149.13239	24.6
151.11073	3.1
157.10130	5.5
159.11693	15.9
161.13257	28.9
163.11212	2.5
163.14819	5.6
165.12737	3.0
171.11723	9.4
173.13260	7.4
175.14803	14.2
185.13239	10.3
187.14761	11.3
189.12714	3.0
199.14787	5.0
201.16486	3.1
203.17941	3.3
205.15904	6.4
221.18997	5.8
231.21112	6.5
241.19519	22.5
259.20566	75.2
260.20856	3.1
277.21649	25.9
287.76007	2.8
333.24268	7.8
351.25293	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.03939	1.3
55.01865	6.8
55.05512	7.1
55.34348	0.4
56.96551	0.6
57.03440	5.2
57.07067	1.5
59.52541	0.4
62.85915	0.4
65.03928	0.6
67.05504	13.0
69.03432	0.7
69.07066	7.5
71.04990	1.0
71.08614	0.8
71.59908	0.5
79.05491	16.8
81.07056	41.7
82.07355	0.5
83.04984	2.0
83.08622	3.1
85.06546	0.9
91.05480	11.9
93.07042	18.7
95.04987	2.0
95.08606	12.7
95.09216	0.7
97.06530	1.5
97.10164	0.9
99.08099	0.8
103.05457	0.4
105.07035	13.0
107.08590	13.8
109.06521	13.0
109.10158	4.0
111.04447	14.1
111.08075	1.5
113.06019	0.7
113.09645	0.5
117.07018	2.2
119.08582	12.3
121.10141	11.9
123.08081	1.6
123.11680	2.3
125.05972	4.0
125.09653	0.5
128.06226	0.5
129.06992	1.3
131.08560	6.1
133.10127	12.5
133.52089	0.4
135.08058	3.2
135.11694	10.9
137.05975	100.0
137.09494	1.9
137.13251	2.4
138.06300	2.4
139.07578	0.6
139.11159	0.4
142.07849	0.5
143.08553	2.9
145.10123	5.8
147.08035	1.6
147.11687	13.7
149.09605	3.7
149.13257	6.3
151.07527	2.5
151.11185	1.4
156.09344	0.5
157.10118	2.9
159.11697	4.6
160.08734	0.5
161.09645	5.3
161.13258	9.2
163.07564	0.5
163.11185	4.0
163.14842	1.9
165.09131	2.6
165.12775	0.9
167.10692	1.0
169.10181	0.5
171.11716	3.8
173.13281	2.3
175.11208	4.5
175.14821	4.2
177.12711	1.4
179.09178	0.4
179.10684	2.3
179.14316	0.5
181.12244	0.5
185.13243	2.8
187.14769	1.0
189.12773	1.7
193.12169	1.9
198.02835	0.4
199.14789	1.8
203.14325	0.8
203.17940	5.7
205.19582	1.0
213.16347	3.4
215.17999	0.5
217.19464	1.0
221.19031	2.1
223.14838	0.5
231.17432	10.1
231.21140	1.5
241.15828	1.4
241.19540	6.0
248.08267	0.5
249.18489	11.0
249.36984	0.4
250.18806	0.7
259.20575	18.1
260.20926	0.9
273.09210	0.5
277.18002	33.8
277.21497	3.1
278.18365	2.8
280.15186	0.4
290.09219	0.9
291.10077	1.0
293.08072	0.6
295.19031	11.9
296.19293	0.9
319.09512	1.3
333.24313	1.8
336.09918	0.8
351.12604	3.0
351.21494	12.9
351.25354	10.4
352.21817	0.9
352.25650	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.7
55.01864	4.1
55.05515	14.4
57.03418	10.2
57.07061	2.5
67.05503	46.3
68.45190	2.2
69.07073	16.7
69.20673	2.5
71.29508	5.3
75.04446	2.7
79.05060	4.1
79.05489	67.8
81.07050	54.3
83.04993	3.5
83.08616	9.3
85.06527	4.2
91.05473	46.2
93.07039	100.0
95.04961	7.6
95.08604	46.3
97.06490	3.8
97.10143	4.0
99.04475	2.5
99.08081	3.4
105.07021	52.7
106.07300	2.6
107.08588	59.1
109.06501	4.0
109.10155	16.2
117.07000	10.1
119.08568	57.5
121.09312	4.1
121.10144	47.0
123.11646	2.8
129.06999	6.9
131.08543	21.4
133.10123	50.6
135.08060	3.1
135.11681	49.3
136.28734	2.5
143.08551	9.0
145.10117	27.0
147.11679	48.5
149.09589	2.4
149.13231	27.7
157.10123	12.9
158.24339	2.1
159.11681	18.9
161.13249	36.7
163.11169	5.2
163.14813	7.3
171.11745	11.5
173.13243	14.2
175.14816	18.0
177.12769	4.7
185.13188	14.4
189.12750	2.6
199.14799	9.9
213.16357	3.8
215.17799	2.9
215.52354	2.3
217.19498	5.9
221.15356	3.2
231.17432	3.0
231.21040	8.5
241.19495	38.8
259.20572	97.2
260.20801	3.7
277.21667	18.1
299.09158	2.9
333.24149	9.3
351.12271	6.9
351.21509	3.3
351.25269	72.2
351.29541	5.0
373.36108	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.8
53.03936	5.3
55.01867	11.0
55.05299	2.4
55.05511	26.6
56.96318	2.4
56.96565	20.5
57.03421	11.6
57.07068	4.9
65.03932	3.5
67.05500	69.1
69.03438	3.0
69.07060	31.9
70.12659	10.3
71.04979	4.0
71.08630	14.9
74.97624	2.3
79.05489	63.4
81.03416	4.1
81.07053	100.0
83.04973	8.5
83.08611	12.9
85.06541	2.6
91.05476	47.2
92.60220	1.8
93.07040	78.0
95.04956	9.9
95.08606	46.8
97.06507	8.1
97.10167	5.4
99.08096	15.6
105.07017	45.8
107.04886	3.1
107.08588	45.9
109.06520	16.3
109.10152	24.3
110.07182	2.6
111.04440	14.7
111.08116	3.0
113.09560	2.9
117.07021	11.1
119.08579	38.8
120.08940	2.3
121.06585	2.6
121.10138	30.4
123.08079	6.0
123.11681	8.0
125.05965	3.5
125.09653	5.1
129.06985	5.7
131.08580	16.4
133.10126	30.6
135.08107	3.1
135.11679	30.1
137.05974	95.9
137.09618	6.2
137.13266	5.5
143.08578	8.0
145.10138	17.2
146.99661	3.1
147.08029	2.2
147.11691	39.0
149.09590	6.6
149.13274	19.1
151.11145	9.8
154.12247	2.6
156.09338	2.3
157.10098	9.0
159.10582	2.1
159.11694	13.1
161.09619	7.1
161.13255	31.5
163.11191	7.0
163.14758	4.7
171.11717	12.1
172.13380	2.4
173.11877	2.7
173.13278	6.6
175.11218	4.7
175.14824	10.8
177.12737	2.3
179.10802	4.1
179.14287	8.4
185.13263	6.4
186.43335	2.1
189.04404	4.0
189.12784	2.6
193.12320	3.1
199.06401	5.2
199.14793	6.3
203.05960	3.0
203.17920	5.8
213.16376	5.0
216.13968	2.0
217.07460	17.0
221.19038	2.8
223.06432	4.4
229.07613	3.0
231.09178	2.3
231.17430	10.0
231.21101	7.3
241.07504	13.4
241.11050	4.3
241.19519	13.9
245.09445	2.4
248.08206	2.8
249.18582	9.9
259.08524	27.1
259.12140	7.0
259.20578	51.4
275.07004	2.8
277.09579	4.0
277.18002	29.0
277.21561	29.0
282.10107	2.5
295.18973	14.3
311.44321	2.3
319.09650	4.8
333.17331	9.5
333.24261	4.9
351.12424	10.4
351.18350	80.1
351.25204	53.9
352.18674	7.0
352.25082	3.4
369.19516	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53062	1.9
53.03936	3.8
53.18333	1.9
55.05306	1.7
55.05509	18.5
57.03416	8.0
57.07076	2.4
67.05169	2.9
67.05501	44.6
68.79260	2.0
69.06773	1.8
69.07069	15.5
71.04952	3.6
71.11782	2.0
71.12103	3.4
75.04464	2.2
79.05487	69.2
81.07053	50.6
83.08604	8.0
85.06509	2.2
85.39552	1.8
91.05479	53.4
93.07039	85.7
95.04958	6.4
95.08601	38.7
97.06540	2.3
97.10152	3.4
99.08092	4.1
101.82115	2.2
103.50851	1.9
105.07026	56.2
107.08588	59.1
109.10166	11.7
113.09664	3.1
117.07027	11.7
119.08581	54.0
121.10130	45.3
123.08027	2.9
123.11677	4.3
125.33175	2.1
129.06979	8.0
131.08565	19.1
133.10123	56.8
135.11688	46.2
137.09637	2.9
143.08554	7.9
145.10101	23.2
147.11678	51.8
149.13252	32.5
157.10118	9.9
159.11696	17.3
161.13242	39.5
163.14819	7.6
171.11679	15.2
173.13303	11.6
175.14815	19.6
177.12685	3.8
180.78886	2.3
185.13254	14.8
187.14861	2.9
189.12691	2.7
195.13792	2.4
199.14865	10.4
201.16420	3.1
213.16322	4.5
217.19612	2.5
231.21042	8.0
241.19513	35.5
259.20578	100.0
277.21634	18.7
333.24350	9.0
351.25284	69.6
352.25540	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
55.01876	5.2
55.05512	36.9
57.03440	25.8
57.07070	4.8
65.03932	3.6
65.92590	2.0
67.05503	100.0
69.03417	4.1
69.07072	30.0
69.71266	10.2
69.71680	3.3
71.04979	5.5
71.08636	40.2
77.97591	1.9
78.47636	1.7
79.05492	73.5
81.03413	8.4
81.07056	79.4
83.04996	10.3
83.08609	14.0
85.06543	4.1
91.05481	49.5
93.07044	88.3
95.04973	15.1
95.08607	52.4
97.06530	11.4
97.10166	12.1
98.19471	1.9
98.48823	1.9
99.08098	35.6
105.07025	39.7
107.04955	4.6
107.08593	54.0
109.06504	6.5
109.10154	31.7
110.30801	2.0
111.08060	5.7
117.07035	10.0
119.08576	31.1
121.10139	39.3
121.10998	2.0
123.08109	2.5
123.11729	7.3
125.09614	9.1
129.06955	4.7
131.08611	11.8
133.10123	32.7
135.08069	2.8
135.11691	43.0
137.06007	2.3
137.09625	5.0
141.09088	2.5
143.08633	3.9
145.10121	9.4
147.11679	26.3
149.13246	20.9
151.11169	19.5
157.10149	5.8
159.11717	12.8
161.13258	21.6
163.11198	8.9
163.14873	3.2
165.12732	1.9
167.10724	3.4
171.11719	7.6
173.11810	3.5
173.13252	5.7
175.14818	5.0
177.12668	3.5
179.14308	92.0
180.14534	2.5
185.13261	6.0
189.11240	5.2
189.12767	2.1
191.14313	2.7
199.14806	4.0
221.15549	4.9
231.21107	2.8
235.16916	5.5
241.19531	10.7
259.20566	34.2
277.21637	46.8
278.21854	2.4
333.24219	3.6
351.25302	63.8
352.25284	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.6
55.01856	8.1
55.05508	24.2
56.96542	3.2
57.03440	15.5
57.07054	5.6
59.70844	2.0
60.99247	1.7
61.31991	1.7
67.05499	51.3
69.07057	19.3
69.41486	16.0
71.04980	5.2
71.08631	2.3
79.05489	70.8
81.07053	89.0
82.07367	1.6
83.04969	4.2
83.08608	11.1
85.06528	3.6
91.05474	60.7
93.07037	89.2
95.04964	6.8
95.08601	45.3
97.06528	4.9
97.10175	4.0
99.08087	4.9
105.07024	63.0
107.07859	3.0
107.08585	54.0
109.06503	17.8
109.10162	20.3
111.04422	11.4
111.08073	3.2
113.09572	2.1
115.05488	1.7
117.07018	11.9
117.07733	2.2
119.08578	50.2
121.06560	1.9
121.10133	44.5
123.08038	2.5
123.11704	4.8
125.05997	3.6
125.09612	2.0
129.06984	9.3
131.08571	19.7
133.10121	49.2
135.08022	4.1
135.11678	40.8
137.05972	91.7
137.09583	3.1
137.13222	2.3
142.07721	2.3
143.08546	8.3
145.10114	22.5
147.08051	3.4
147.11682	56.1
148.11986	2.0
149.09612	8.3
149.13252	27.7
151.07545	2.3
151.11151	4.9
157.10126	11.4
159.11681	23.7
161.09642	5.0
161.13251	40.1
163.11188	5.6
163.14783	8.8
164.15137	2.0
165.12801	2.1
171.11644	13.3
173.13237	12.6
175.11214	9.0
175.14819	25.2
177.12726	5.2
179.10706	3.8
185.13280	12.3
186.13770	2.1
188.38506	2.1
189.12764	5.8
189.16312	2.3
193.12311	2.6
199.14806	5.0
203.14301	2.5
203.17943	8.0
213.16379	4.8
215.18066	3.1
217.15788	3.7
217.19450	6.0
221.15326	3.2
221.19038	3.2
231.17503	12.3
231.21051	7.8
235.16901	2.2
240.03485	2.0
240.06314	2.1
241.19467	38.3
249.18394	10.0
259.20566	100.0
260.20865	3.3
276.07791	3.3
277.17981	34.3
277.21591	16.7
290.09427	2.8
291.10062	2.4
295.18985	7.5
305.24902	2.5
319.09634	4.3
333.24350	12.1
336.09860	2.4
351.12308	16.7
351.21463	7.4
351.25302	69.0
352.12845	1.9
352.25650	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	351.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01574	0.5
53.03931	0.9
55.01867	7.6
55.05510	5.4
56.96551	0.8
57.03438	4.1
57.07078	1.1
63.10551	0.5
65.01371	0.5
65.03931	0.9
66.30238	0.5
66.94170	0.5
67.05169	0.9
67.05503	10.5
69.07069	6.3
71.04958	0.5
71.08602	0.6
71.42502	1.3
79.05062	1.0
79.05493	13.8
79.05953	0.7
81.02682	0.5
81.07057	40.3
83.05009	2.5
83.08612	2.7
85.02915	0.5
85.06534	1.1
91.05482	9.1
93.07047	15.8
95.04973	1.4
95.08612	10.4
97.06538	1.2
99.08086	0.7
102.23688	0.7
105.07030	9.1
107.04942	0.7
107.07875	0.6
107.08595	10.4
109.06522	12.9
109.10154	5.0
111.04446	15.8
111.08078	1.1
113.05984	0.7
117.07019	1.9
119.08581	10.1
121.06516	0.7
121.09293	0.9
121.10139	8.7
123.08064	2.5
123.11680	2.6
125.06008	4.8
125.09659	0.5
128.06258	0.6
129.07014	1.3
130.07707	0.7
131.08588	4.4
133.10124	11.0
135.08063	2.5
135.11691	9.1
137.05975	100.0
137.09605	1.9
137.13249	2.3
139.07501	0.6
139.11131	0.9
143.08540	2.1
145.10106	3.9
147.08066	1.6
147.11688	11.9
149.09637	3.8
149.13254	5.3
151.07562	1.7
151.11166	1.2
157.10089	2.6
159.11707	3.2
161.09631	5.0
161.13269	6.2
163.11186	3.7
163.14844	2.2
165.09097	2.1
165.12720	1.2
167.10689	1.5
171.11671	2.7
173.13274	1.8
175.11215	4.3
175.14801	3.7
177.12766	0.9
179.10677	2.3
180.46951	0.6
181.12204	0.7
185.13243	2.4
189.12761	1.6
193.12268	1.5
198.13937	0.7
199.14769	1.4
203.14256	1.0
203.17961	5.7
207.13734	0.7
213.16376	3.5
215.17935	0.6
217.19565	1.0
221.19016	2.7
222.01849	0.5
223.14816	1.1
231.08018	0.7
231.17427	11.7
231.21111	0.9
241.15846	1.5
241.19508	4.0
249.18494	13.2
255.50705	0.6
259.20569	12.6
277.17993	34.9
277.21228	1.9
290.09241	0.6
295.19052	9.7
319.09628	1.4
333.24249	1.3
336.10294	0.6
351.12119	2.1
351.21561	11.5
351.25394	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39458	2.8
53.03930	4.0
53.48404	2.1
55.05510	15.0
57.03435	13.0
57.07050	3.7
67.05501	42.2
69.07063	16.8
71.05008	3.3
71.11857	6.3
79.05489	57.7
81.07050	46.9
83.08601	9.1
85.06516	2.7
91.05479	40.1
93.06464	4.8
93.07040	77.2
95.04957	9.5
95.08597	45.5
97.06525	4.7
97.10165	3.1
99.08080	4.7
105.07024	53.3
107.08591	45.7
108.27440	2.4
109.10134	14.9
117.05432	2.7
117.07014	11.5
119.08576	51.4
121.10132	39.2
123.11723	4.0
127.87930	2.5
129.06935	5.1
131.08553	15.4
133.10118	39.9
135.11678	45.4
143.08522	4.4
145.00545	2.2
145.10152	22.9
147.10632	4.0
147.11691	49.7
149.09593	3.1
149.13232	28.9
151.11147	2.7
151.97273	2.1
152.99500	2.9
157.10109	11.3
159.11671	18.1
161.09601	2.3
161.13254	32.1
163.11150	4.6
163.14821	7.5
171.11681	10.1
173.13245	11.7
175.14847	13.8
185.13228	11.6
199.14848	3.9
213.16466	5.8
231.17451	3.2
231.21046	8.2
241.19493	32.1
253.95291	2.5
259.20563	100.0
277.21640	14.9
312.47693	3.0
333.24182	10.1
351.25284	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2138
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
51.14906	0.3
55.01856	1.6
55.05504	1.6
57.03429	0.7
57.07065	0.8
58.13598	0.4
65.67371	0.3
67.05498	3.3
68.14610	0.4
69.03407	0.4
69.07058	1.6
71.08626	1.2
71.59715	0.5
71.60072	0.4
74.04056	0.3
77.00895	0.7
79.05475	2.2
81.03418	0.8
81.07050	4.8
83.04980	0.5
83.08601	0.8
85.10185	0.5
88.49847	0.4
91.05477	2.0
93.07044	2.7
94.76373	0.3
95.01925	0.8
95.04964	0.8
95.08604	2.2
97.06523	0.4
97.10161	0.4
99.08088	1.1
101.76147	0.3
105.07023	2.3
107.04935	0.6
107.08581	1.6
109.06505	0.6
109.10145	1.2
111.08041	1.1
113.09638	0.4
117.06984	1.0
119.08574	1.6
121.10105	0.5
123.08096	0.5
129.06963	0.6
131.08578	1.4
133.02847	0.4
133.10110	1.3
135.07999	0.5
135.11673	0.6
137.06004	1.0
143.08533	0.5
145.10124	0.9
147.11702	1.1
149.13268	0.6
151.11153	0.7
157.10101	0.5
159.11665	0.7
161.09547	0.5
161.13232	0.7
163.11151	0.5
165.12698	0.4
177.12785	0.6
185.13174	0.4
215.11261	1.6
216.11566	0.5
231.10747	0.6
233.12256	0.5
253.12892	1.2
259.20621	0.7
271.14020	1.8
276.07700	0.5
277.21619	2.0
281.13586	0.4
291.10333	0.4
319.09677	0.5
333.19589	1.6
351.12616	3.2
351.21384	100.0
352.12720	0.6
352.21478	2.2
352.25375	0.5
369.21106	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01574	0.5
53.03931	0.9
55.01867	7.6
55.05510	5.4
56.96551	0.8
57.03438	4.1
57.07078	1.1
63.10551	0.5
65.01371	0.5
65.03931	0.9
66.30238	0.5
66.94170	0.5
67.05169	0.9
67.05503	10.5
69.07069	6.3
71.04958	0.5
71.08602	0.6
71.42502	1.3
79.05062	1.0
79.05493	13.8
79.05953	0.7
81.02682	0.5
81.07057	40.3
83.05009	2.5
83.08612	2.7
85.02915	0.5
85.06534	1.1
91.05482	9.1
93.07047	15.8
95.04973	1.4
95.08612	10.4
97.06538	1.2
99.08086	0.7
102.23688	0.7
105.07030	9.1
107.04942	0.7
107.07875	0.6
107.08595	10.4
109.06522	12.9
109.10154	5.0
111.04446	15.8
111.08078	1.1
113.05984	0.7
117.07019	1.9
119.08581	10.1
121.06516	0.7
121.09293	0.9
121.10139	8.7
123.08064	2.5
123.11680	2.6
125.06008	4.8
125.09659	0.5
128.06258	0.6
129.07014	1.3
130.07707	0.7
131.08588	4.4
133.10124	11.0
135.08063	2.5
135.11691	9.1
137.05975	100.0
137.09605	1.9
137.13249	2.3
139.07501	0.6
139.11131	0.9
143.08540	2.1
145.10106	3.9
147.08066	1.6
147.11688	11.9
149.09637	3.8
149.13254	5.3
151.07562	1.7
151.11166	1.2
157.10089	2.6
159.11707	3.2
161.09631	5.0
161.13269	6.2
163.11186	3.7
163.14844	2.2
165.09097	2.1
165.12720	1.2
167.10689	1.5
171.11671	2.7
173.13274	1.8
175.11215	4.3
175.14801	3.7
177.12766	0.9
179.10677	2.3
180.46951	0.6
181.12204	0.7
185.13243	2.4
189.12761	1.6
193.12268	1.5
198.13937	0.7
199.14769	1.4
203.14256	1.0
203.17961	5.7
207.13734	0.7
213.16376	3.5
215.17935	0.6
217.19565	1.0
221.19016	2.7
222.01849	0.5
223.14816	1.1
231.08018	0.7
231.17427	11.7
231.21111	0.9
241.15846	1.5
241.19508	4.0
249.18494	13.2
255.50705	0.6
259.20569	12.6
277.17993	34.9
277.21228	1.9
290.09241	0.6
295.19052	9.7
319.09628	1.4
333.24249	1.3
336.10294	0.6
351.12119	2.1
351.21561	11.5
351.25394	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	351.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.01870	9.0
55.05507	10.2
56.96555	2.4
57.03437	1.6
57.07069	1.3
65.03929	3.3
67.05501	13.2
69.03427	5.2
69.07050	4.9
70.06590	3.4
70.08453	4.1
70.95334	0.9
71.04993	2.2
72.08124	1.1
79.00378	1.0
79.05492	14.5
81.03403	12.3
81.07057	17.5
82.07377	0.9
83.04980	3.3
83.08616	3.1
84.08135	1.3
85.02901	2.5
85.06532	2.8
87.04470	1.5
91.05475	18.9
91.06009	1.6
93.03405	2.9
93.07038	10.5
95.01334	2.0
95.04957	7.2
95.08585	8.9
97.02893	2.8
97.06539	1.7
97.10167	3.5
98.21445	1.1
98.97587	1.3
103.05472	3.4
105.03395	2.2
105.07021	11.6
107.04962	7.4
107.08595	8.0
109.02881	4.8
109.06519	3.5
109.10160	6.3
111.08086	1.3
115.05476	3.4
116.98605	2.5
117.07012	10.6
119.04974	6.3
119.08591	8.1
121.02859	3.1
121.06503	3.6
121.10149	5.4
123.04410	3.1
123.08083	1.9
123.11713	3.3
125.02385	1.8
125.09612	1.5
127.03893	1.3
128.06232	2.3
129.06993	7.5
131.04921	4.0
131.08536	9.4
133.02937	1.3
133.06514	5.0
133.10114	6.8
134.99696	1.5
135.04449	6.4
135.08058	2.4
135.11703	3.0
137.05969	1.7
137.09608	2.4
139.03946	1.4
141.07013	4.1
143.04990	1.7
143.08572	4.3
145.02794	1.8
145.06465	7.6
145.10117	6.4
147.04378	8.1
147.08038	2.8
147.11731	3.6
149.01276	1.2
149.02266	5.1
149.06010	2.4
149.09619	2.5
151.03920	3.0
151.11218	3.4
153.05466	1.2
153.06996	1.5
155.08577	4.0
156.09285	1.3
157.06503	3.9
157.10120	4.4
159.04443	3.8
159.08060	1.3
159.11671	2.9
161.02406	1.3
161.05914	6.1
161.09634	3.4
163.03914	4.6
163.07652	1.3
163.11162	1.7
165.01794	2.4
165.05486	1.5
165.06953	1.1
167.08629	1.8
169.10165	2.6
171.04460	1.4
171.08038	2.6
171.11668	2.0
173.06012	5.2
173.09607	2.1
173.13240	1.3
175.03889	8.1
175.07526	1.8
175.11183	1.6
177.05487	4.0
179.03386	1.8
181.06584	1.5
181.10132	2.4
183.08109	1.2
183.11758	2.4
185.06084	1.7
185.09634	2.3
187.03937	2.4
187.07668	1.5
187.11217	2.3
189.05479	7.6
191.10638	1.2
195.11772	1.8
197.09637	3.2
199.03972	1.4
199.07597	1.8
199.11296	1.2
201.05563	2.7
201.09204	1.4
203.03423	1.5
203.07022	2.5
205.04956	1.5
207.06525	5.8
209.09752	1.3
213.09166	1.3
213.12817	2.5
215.10631	2.0
217.05016	4.6
217.12273	1.7
221.04495	10.5
223.10976	1.5
225.09178	2.2
227.10747	2.9
231.13866	1.8
233.11693	8.7
235.06018	3.5
241.12244	6.4
243.10196	1.9
245.11967	1.3
245.23039	2.8
248.08340	1.3
251.10745	2.9
253.12524	1.4
255.09995	1.5
257.11749	1.4
259.13339	4.7
261.11194	2.3
269.11646	9.5
271.13297	1.4
276.07803	1.5
277.10730	4.5
279.10220	2.5
287.12756	10.7
289.10989	1.5
289.25562	1.3
291.10059	2.1
297.11127	8.0
297.18552	1.5
303.12268	2.9
305.13968	6.7
315.12244	24.2
315.23062	1.5
319.09546	3.7
333.13309	100.0
334.13574	3.3
350.28845	1.6
351.10828	5.0
351.21631	2.2
351.29254	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	351.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.01869	7.3
55.05291	0.9
55.05509	9.6
56.96555	1.5
57.03431	1.8
57.07061	1.1
65.03930	2.2
67.05505	8.6
68.99770	2.2
69.03424	3.3
69.07068	5.4
69.57433	1.8
69.57837	5.5
71.04978	1.2
72.55366	0.8
76.93125	0.8
77.03909	0.9
79.05045	1.4
79.05482	15.0
81.03415	6.1
81.07054	14.3
83.01289	1.1
83.04971	1.2
83.08612	3.3
85.02895	2.2
91.05474	17.2
93.03402	2.0
93.07040	8.9
95.01321	2.8
95.04958	6.2
95.08598	5.7
97.02885	2.3
97.06529	1.7
97.10150	2.6
99.14669	0.9
103.05461	3.0
105.03386	1.9
105.07029	16.9
107.04949	8.4
107.08580	6.3
109.02850	3.2
109.06509	1.9
109.10150	3.8
115.05444	4.6
117.07018	10.6
119.04961	4.7
119.08576	7.8
121.02856	2.9
121.06519	4.2
121.10158	3.3
123.04421	2.7
123.08064	1.3
123.11674	1.1
125.02342	2.8
125.09642	1.3
127.07454	1.1
128.06198	3.6
129.07010	7.1
129.21698	1.0
131.04872	4.5
131.08571	8.8
133.02861	1.7
133.06500	4.7
133.10100	4.9
135.04445	4.9
135.07990	2.0
135.11725	1.5
137.06013	2.1
139.03943	1.4
141.06982	3.9
142.07751	1.2
143.08594	5.0
145.06470	6.3
145.10100	5.5
147.04407	4.2
147.08047	3.9
147.11652	3.0
149.02313	6.5
149.05988	2.5
149.09590	1.7
151.03917	3.6
151.11191	1.6
151.20680	1.0
153.06996	1.6
154.07747	1.6
155.03412	1.4
155.08517	4.1
157.06490	3.5
157.10110	4.6
159.04420	2.3
159.08040	2.5
159.11658	2.6
161.02272	2.1
161.05960	3.6
161.09639	3.9
163.03911	5.6
163.07530	1.7
163.11145	1.7
165.01875	2.2
165.05484	1.6
165.07002	2.1
166.07747	1.6
167.03383	1.2
167.08560	2.0
169.06490	1.3
169.10110	2.6
171.04413	1.2
171.08043	2.4
171.11729	2.3
173.02444	1.2
173.05963	5.0
175.03902	7.2
175.11183	2.5
177.05482	1.9
177.12556	1.0
178.07733	1.3
179.03441	1.7
179.08525	1.3
181.04965	2.0
181.06424	1.8
181.10097	1.5
183.08041	2.2
183.11794	2.1
185.05974	2.6
185.09608	2.7
185.13303	2.2
187.03883	3.1
187.07553	2.1
187.11154	2.9
189.05428	9.3
189.08994	1.1
190.07648	1.1
191.03377	1.9
195.11713	1.9
197.13152	1.5
199.03883	1.1
199.07481	1.9
199.11203	2.3
199.90454	0.9
201.05365	2.1
201.09029	1.9
201.12827	1.1
203.10735	1.2
205.04977	1.3
207.06511	1.1
209.09692	1.0
211.11055	1.1
213.12714	2.6
215.10643	2.3
217.04994	3.8
221.04431	10.9
223.11194	2.6
225.09085	2.2
227.10640	2.2
229.12102	2.1
233.11676	7.3
233.15349	2.1
235.05972	2.3
241.12212	5.5
243.10121	2.7
247.13318	1.1
251.10686	4.9
255.10243	2.5
259.09525	1.3
259.13367	4.5
261.11188	1.3
263.10666	1.5
269.11688	9.1
271.13385	1.6
277.10675	3.9
279.10138	2.8
287.12732	13.9
291.10095	1.2
297.11105	5.8
303.12341	1.7
305.13907	7.1
307.09518	1.0
315.12216	22.2
319.09885	2.4
319.74777	1.0
333.13293	100.0
334.13666	1.8
351.11823	3.3
351.14755	2.8
351.21536	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.9
53.03933	2.5
55.01872	8.1
55.05506	10.3
57.03423	1.9
57.07044	0.9
65.03919	2.5
67.05499	10.5
68.99777	1.9
69.03426	4.3
69.07053	3.9
70.07479	4.1
70.07764	0.9
71.04977	1.7
79.05047	1.1
79.05484	13.3
81.03407	9.5
81.06631	1.3
81.07056	12.9
83.01337	1.4
83.04961	2.1
83.08604	3.4
85.02882	2.8
85.06507	1.9
91.05469	17.4
93.03383	2.7
93.07034	9.1
95.01308	2.2
95.04955	8.2
95.08589	6.5
97.02873	2.8
97.06523	1.4
97.10141	2.7
98.98445	1.0
99.04452	1.1
103.05457	3.4
105.03371	2.5
105.07024	11.7
107.04948	7.8
107.08581	7.0
108.08985	0.9
109.02890	5.9
109.06487	3.0
109.10144	4.3
111.04435	1.7
111.08071	1.0
115.05430	3.6
117.07002	7.9
119.04947	5.6
119.08564	6.3
121.02872	4.0
121.06480	3.7
121.10129	3.3
123.04438	3.5
123.08035	0.9
123.11662	1.7
125.02319	1.9
125.09632	1.2
127.03928	1.5
127.07555	0.8
128.06189	2.1
129.06993	7.3
131.04930	5.2
131.08562	7.4
133.02844	1.1
133.06483	3.8
133.10100	3.3
133.28156	0.8
135.04390	6.9
135.08020	2.5
135.11673	1.1
137.02267	0.9
137.05927	1.4
137.09605	1.8
139.03870	1.8
141.06989	3.8
143.08551	4.9
145.02878	1.7
145.06456	6.1
145.10100	5.8
146.99588	0.9
147.04405	8.2
147.08023	2.8
147.11655	2.8
149.02342	4.6
149.05943	2.7
149.09593	2.8
151.03882	2.9
151.11162	1.4
153.05423	1.1
153.06967	2.5
154.07730	1.2
155.08517	4.2
156.09157	1.0
157.06493	3.0
157.10086	4.0
158.07042	0.9
159.04382	2.6
159.08049	2.3
159.11629	2.0
160.48711	0.8
161.02315	1.9
161.05986	5.1
161.09602	2.2
163.03885	3.4
163.07521	1.4
163.11116	2.0
165.01823	2.2
165.05560	1.6
165.06998	3.0
167.03368	1.3
167.08525	2.4
167.10732	0.9
168.09283	0.8
169.06442	1.4
169.10085	1.5
171.04384	1.8
171.08015	3.6
171.11649	2.2
173.02350	1.2
173.05971	6.8
173.09605	2.1
175.03880	10.6
175.07538	2.3
177.01958	1.2
177.05399	3.0
179.03435	1.8
179.08524	1.4
181.04955	1.7
181.06471	1.6
181.10092	2.8
183.08009	1.8
183.11667	2.0
185.05974	2.3
185.09627	2.5
185.13284	1.3
187.03886	3.0
187.07545	2.3
187.11116	2.6
188.04619	1.0
189.05450	9.8
189.09032	1.5
189.12762	1.0
191.03426	1.8
191.08607	1.3
191.10585	1.0
195.11681	1.7
197.04344	0.9
197.06042	1.1
197.09550	1.9
199.03922	2.4
199.07581	1.1
199.11069	1.8
201.05423	1.9
201.09088	1.2
203.03432	1.4
203.08669	1.1
205.04895	2.6
205.12157	1.6
207.06459	4.6
209.04433	1.3
211.11205	0.9
213.05452	1.0
213.09138	1.1
213.12724	3.4
215.06963	1.0
215.10683	2.9
217.04948	4.3
221.04437	12.0
223.11134	3.2
225.09048	2.3
225.12706	1.2
227.07054	1.0
227.10670	2.8
231.13803	1.4
233.09703	1.4
233.11679	8.6
235.05959	3.0
237.09129	1.1
239.10629	1.1
241.12219	5.8
243.10170	2.7
243.13770	1.7
245.11726	1.5
248.08360	1.2
251.10593	5.8
253.08566	1.6
255.10164	2.3
259.09732	1.1
259.13245	5.0
261.11258	2.5
267.10654	1.0
269.11716	11.1
271.13184	2.1
273.11267	1.1
277.10693	3.1
279.10147	2.2
287.12753	14.1
289.10825	1.5
291.09940	1.3
297.11249	6.4
303.12384	2.0
305.13821	6.0
315.12231	23.3
319.09555	2.5
333.13284	100.0
334.13593	1.5
351.11063	2.2
351.14679	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2734
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05504	2.0
57.06825	0.3
57.07074	4.8
60.12423	0.3
66.38799	0.2
67.05499	3.0
69.06786	0.3
69.07066	3.0
69.85795	1.9
71.04961	0.5
71.08631	2.7
79.05486	2.6
81.07049	5.6
83.04961	0.3
83.08594	1.0
85.06530	2.4
91.05477	1.6
93.07042	2.8
95.04961	0.7
95.08603	5.2
97.06510	0.6
97.10127	0.4
99.08075	1.5
105.07011	1.9
107.08592	2.6
109.06509	16.7
109.10154	1.5
111.08101	0.7
119.08581	1.9
121.06499	0.4
121.10141	2.1
122.07309	1.6
123.08058	26.1
123.11707	0.7
131.08534	0.5
133.10109	1.1
135.08012	3.2
135.11646	0.6
137.09625	0.8
137.13177	0.3
145.10094	0.7
147.11667	1.0
149.09642	0.6
149.13304	0.5
161.13171	0.6
163.14780	0.3
165.12758	0.6
167.14256	0.8
175.14772	0.4
179.14296	100.0
180.14659	1.7
193.15868	2.5
233.18918	0.4
271.20169	0.3
289.25278	0.5
293.21057	0.6
331.26300	2.9
349.27347	79.5
350.27649	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	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03930	0.6
55.01874	0.7
55.05510	6.8
57.07056	1.6
57.21526	0.5
65.03899	0.5
67.05499	4.8
69.07069	11.1
69.54869	3.5
71.04984	1.7
73.06551	0.9
79.05489	3.3
81.07050	8.0
83.04990	0.7
83.08615	4.1
85.06554	0.8
91.05482	1.7
93.07033	5.4
95.04956	0.9
95.08044	0.7
95.08606	7.8
97.06526	1.7
97.10176	0.8
98.21518	0.8
99.08102	0.5
105.07005	2.7
107.08585	4.9
109.06509	10.9
109.10142	3.4
111.08092	1.6
117.06995	0.6
119.08572	3.4
121.10120	3.6
122.07262	0.6
123.08060	66.9
123.11691	1.6
125.09550	0.5
128.53284	0.5
131.08522	0.8
133.10143	3.1
135.08064	4.5
135.11665	1.9
137.09613	4.1
137.13240	0.8
145.10110	1.1
147.11696	2.6
149.09616	1.6
149.13257	1.6
151.11122	0.8
159.11674	1.0
161.13278	1.2
162.81572	0.4
163.11076	0.5
165.12720	1.0
173.13367	0.6
179.14299	7.1
233.18787	0.6
247.20651	0.9
248.92885	0.5
271.66547	0.5
275.19995	1.5
281.21060	0.8
289.25262	0.6
293.17755	0.9
293.21094	17.6
307.22604	1.2
331.26245	4.4
349.27350	100.0
350.27655	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	349.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.3
57.07075	43.6
66.83386	0.8
69.07054	1.9
69.42462	2.7
69.42889	4.9
71.08630	25.8
73.06557	3.6
74.34332	0.8
75.22876	0.7
81.07073	1.1
83.08609	1.6
84.96365	0.7
85.10174	21.0
87.04469	1.6
89.06029	100.0
91.05502	1.2
93.07062	1.1
95.08600	1.1
97.10175	2.2
99.11722	3.0
105.07079	1.0
107.07063	8.7
111.28913	0.7
113.13279	1.3
119.08546	1.0
121.10155	1.1
123.08087	1.2
129.35368	0.8
130.08624	2.1
131.08566	0.8
133.08594	31.0
151.09666	4.6
155.17949	1.0
177.11227	5.9
179.14368	2.4
195.12262	17.9
195.13914	1.3
199.20615	1.2
202.78889	0.7
243.23218	1.7
316.45544	0.9
349.23624	1.0
349.27402	2.3
349.30096	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2734
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03941	0.8
55.05487	2.5
57.03427	0.8
57.07068	4.8
60.29517	0.6
64.00932	0.6
67.05498	5.1
69.07040	1.8
71.05035	1.4
71.08604	2.0
79.05475	4.8
81.07044	6.8
83.08587	1.0
85.06534	3.2
91.05461	2.5
93.07057	3.8
95.08591	5.8
97.10177	0.7
99.08066	1.8
105.07026	3.5
107.08589	4.2
109.05780	1.4
109.06503	21.2
109.10136	2.6
111.08099	0.7
111.11797	0.6
117.07001	1.2
119.08570	1.9
121.10109	2.7
122.07260	2.1
123.08051	22.6
123.11698	1.0
127.40163	0.6
131.08488	0.8
133.10081	1.8
135.08020	3.2
136.63371	0.6
139.36662	0.6
145.10110	1.3
147.11685	1.3
161.13310	0.7
165.12727	0.8
179.14291	100.0
180.14590	2.5
193.15900	2.3
204.14311	0.6
211.78973	0.7
218.65326	0.6
221.79825	0.6
227.02914	0.7
274.43253	0.7
275.19974	1.9
313.82498	0.7
331.26315	2.9
349.27344	75.8
350.27701	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03938	1.3
55.01869	0.6
55.05513	6.0
57.03423	1.2
57.07064	1.0
60.49456	0.5
67.05505	6.8
67.95782	0.5
69.03423	0.7
69.06721	0.7
69.07069	10.8
69.27073	5.8
69.81747	0.5
71.04981	1.1
74.48981	0.5
74.99095	0.5
79.05489	5.2
81.07057	9.2
83.04986	0.5
83.08617	4.7
91.05463	3.2
93.07038	7.1
95.04958	1.0
95.08606	8.4
97.06528	2.2
97.10175	1.5
99.08088	0.7
105.07021	4.2
107.08591	6.0
109.06516	10.8
109.10150	3.9
111.08060	2.0
119.08588	5.2
121.10149	3.7
123.08066	68.6
123.11700	1.5
124.08350	0.6
125.09615	1.0
131.08530	1.4
133.10115	3.3
135.08043	6.2
135.11676	2.1
136.08833	0.7
137.09604	3.6
137.13271	0.9
143.08546	0.7
145.10104	1.3
147.11679	2.1
149.09610	1.4
149.13237	1.5
159.11710	2.3
161.13243	1.4
163.11191	0.9
165.12752	0.6
179.14307	4.3
191.14291	0.7
233.19054	0.7
239.54378	0.6
257.19016	0.6
275.20004	3.5
289.25180	0.8
293.21130	17.2
294.21576	0.8
303.26834	0.7
307.22705	1.0
314.24594	0.5
331.26199	2.9
349.27368	100.0
350.27792	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.1
53.03941	2.8
55.01867	5.9
55.05265	1.2
55.05511	17.5
56.96563	61.6
57.03435	13.1
57.07061	3.0
57.55482	0.9
59.75492	0.9
65.03940	2.4
65.61304	0.8
67.05501	31.1
67.66968	0.8
69.03422	2.2
69.06718	1.3
69.07066	20.4
69.61416	5.6
69.61834	2.3
71.04981	2.9
71.95267	7.0
72.96031	3.1
74.97589	1.6
79.05057	1.8
79.05490	29.7
81.03407	2.9
81.07056	35.1
83.04973	9.2
83.08599	5.3
84.96035	2.2
85.06530	1.2
89.14137	0.9
91.05477	28.8
93.07038	35.6
94.07369	0.9
95.04958	12.5
95.08603	25.8
97.06535	4.5
97.10165	3.4
97.96838	1.0
98.20746	1.7
101.09599	0.9
103.05473	1.3
105.07024	28.9
106.07327	1.2
107.04957	10.5
107.08585	20.6
109.02803	1.0
109.06514	14.9
109.10139	10.0
110.97598	1.6
111.08066	2.6
115.05434	1.0
116.98634	1.0
117.07027	10.9
119.08575	18.7
121.06512	13.8
121.10128	10.8
123.01184	2.3
123.08045	8.0
123.11702	3.7
125.09569	1.1
127.00718	1.1
128.06177	1.2
128.98576	5.1
129.06985	3.9
131.08568	21.9
133.01746	1.3
133.06485	4.1
133.10126	21.7
134.99619	1.4
135.08064	6.2
135.11653	6.1
137.02794	2.1
137.09633	2.6
141.02213	1.7
141.06984	2.0
142.64999	0.8
143.08540	3.7
145.06439	1.8
145.10117	14.9
146.99652	7.2
147.07985	4.8
147.11684	15.5
148.57976	1.0
149.09602	7.6
149.13240	5.0
151.11139	6.2
155.03798	4.0
155.08540	2.2
157.10127	4.1
159.03333	1.8
159.08064	2.8
159.11656	7.5
161.01175	1.8
161.09572	4.8
161.13231	4.5
163.11154	7.1
165.00760	2.2
165.12776	2.0
169.01703	2.5
169.05356	1.3
169.10181	2.2
171.03316	2.5
171.11722	3.4
173.04858	4.3
173.09564	2.9
173.13275	5.4
175.02785	1.6
175.11197	3.1
175.14775	1.2
177.12767	2.9
179.14333	2.9
181.05379	2.9
183.06924	2.0
183.11662	2.9
185.04887	3.5
185.13235	1.8
187.02817	1.4
187.06450	1.9
187.11212	2.6
187.14816	1.7
189.04356	2.8
189.12794	1.5
191.05905	1.2
191.14294	3.3
195.07016	3.1
197.04909	1.3
197.13237	2.1
199.06424	16.3
201.08014	5.4
201.12802	3.6
201.16440	0.9
203.05942	6.0
205.07428	1.4
205.19528	1.8
207.13814	3.1
209.04892	1.7
211.02803	1.3
211.06380	7.9
213.07974	33.5
213.16310	1.3
215.05928	1.4
215.18015	1.6
217.07471	22.8
218.07735	1.4
219.09096	3.9
219.13855	4.4
222.08003	1.1
223.06432	1.2
223.08569	1.5
225.08012	3.0
227.09381	1.6
229.07472	64.4
229.19565	3.6
230.07860	3.8
231.09029	49.8
232.09369	2.8
233.18958	1.4
236.09543	4.4
237.15021	1.5
239.09668	1.6
239.17952	5.5
240.09039	1.3
241.07504	1.1
243.09016	18.9
244.09460	1.4
245.10612	2.7
247.08524	52.3
247.20578	5.4
248.08914	3.8
251.09674	1.2
252.09071	8.3
254.10587	5.0
255.09091	1.4
257.10550	1.0
257.18985	16.8
261.10138	16.2
266.10666	2.3
269.10590	3.1
270.10184	3.6
273.09818	1.3
275.20047	100.0
276.20316	5.5
284.11636	2.0
285.10098	1.4
287.11639	1.3
292.12247	1.1
293.21140	5.6
313.14633	1.3
331.15750	10.4
349.16873	70.2
349.23611	31.6
349.27695	1.5
350.17166	8.8
350.23810	1.6
367.17911	26.7
368.18274	2.5
372.18411	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.01860	5.7
55.05508	16.9
56.96560	31.1
57.03434	18.0
57.07071	3.4
62.20014	1.7
63.38544	1.4
65.03930	2.6
67.05499	34.3
69.03410	2.1
69.07061	23.3
71.04974	2.6
71.60322	1.8
71.95261	4.0
79.05492	26.9
81.03395	1.7
81.07048	38.3
83.04955	5.8
83.08612	5.5
85.06535	3.1
91.05477	29.2
93.07040	36.9
95.04959	13.5
95.08604	26.8
97.06509	5.3
97.10155	3.1
105.06383	2.7
105.07029	39.9
107.04944	9.5
107.08591	22.1
109.06519	14.3
109.10165	14.3
110.91907	1.5
117.06988	9.1
119.08573	19.6
119.29223	1.5
121.06490	14.4
121.10152	14.1
123.08056	10.0
123.11704	3.6
127.32464	2.0
128.98618	2.5
129.06993	5.1
131.08560	17.7
133.06516	3.4
133.10132	18.8
135.08034	4.7
135.11652	7.3
137.09608	2.5
143.08597	4.7
145.10109	17.2
146.99646	4.6
147.08069	4.2
147.11714	11.5
149.09613	6.2
149.13205	3.9
151.11148	7.4
155.03810	3.0
155.08562	3.1
157.10100	4.6
159.11720	11.2
159.92267	1.8
161.09596	6.6
161.13228	4.9
163.11198	7.3
165.07146	1.6
165.12831	2.6
169.10075	4.2
171.03331	3.0
171.11717	4.2
173.09718	4.1
173.13277	8.8
175.11191	2.6
177.12755	3.0
179.14264	3.6
183.11707	3.6
185.04825	1.9
185.13242	1.9
187.11081	3.5
187.14764	2.7
189.04279	2.2
189.12778	2.8
197.13234	1.7
199.06409	4.7
201.12662	3.8
203.05928	2.7
207.13824	2.6
212.93617	3.0
213.07942	2.4
217.07373	4.8
219.13727	2.9
225.07887	1.9
229.07526	3.4
229.19461	4.5
231.09010	3.3
239.09541	3.2
239.18040	4.3
243.09023	3.0
245.10513	2.6
247.08521	3.5
247.20505	8.0
251.09351	2.1
255.08943	4.8
257.10492	2.9
257.19000	17.7
267.08994	5.3
269.10580	11.6
272.95654	2.0
273.10199	2.0
275.20047	100.0
276.20447	4.0
285.10028	9.7
287.11697	3.4
291.12631	5.1
292.12158	3.0
293.21161	8.6
295.12018	2.1
308.11850	2.5
309.13629	7.7
331.15872	5.9
336.95004	2.0
349.16956	15.4
349.23703	25.5
349.27399	4.8
349.31067	2.6
367.18021	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
53.87220	1.1
55.01862	2.6
55.05513	10.4
57.03437	40.5
57.07083	2.4
65.03928	1.6
67.05502	29.7
69.03419	1.5
69.07059	9.0
71.41803	2.3
79.05492	32.9
80.36742	1.1
81.03395	2.1
81.07058	26.0
83.04974	2.5
83.08605	5.0
85.06540	11.6
91.05476	46.4
93.07040	36.1
95.04966	4.5
95.08604	20.0
97.06535	3.2
97.10185	2.4
97.36738	1.3
99.04469	6.5
105.07027	28.8
107.04955	2.2
107.08585	18.2
109.06516	8.7
109.10152	7.8
111.08083	2.2
117.07016	14.0
119.08584	26.9
121.06554	3.1
121.10149	11.4
123.08065	3.2
123.11752	2.0
125.67181	1.2
128.06161	1.4
129.07016	3.6
131.08566	17.4
133.10121	17.5
135.08031	4.3
135.11655	6.6
137.09612	3.9
143.08553	1.7
143.77307	1.3
145.10127	10.9
147.11653	7.0
149.09665	4.7
149.13297	1.8
153.12741	1.9
157.10103	1.7
159.11671	7.1
161.13246	2.3
163.11186	1.2
171.11732	1.6
173.13300	4.6
175.14796	1.7
185.13278	3.6
191.14223	1.6
197.13304	1.3
201.16417	5.1
203.14430	2.6
209.15401	1.4
219.17439	100.0
220.17792	4.0
239.18022	1.9
257.18948	1.9
275.20102	11.1
281.96851	1.6
287.30524	2.0
301.20251	1.5
349.23862	13.8
349.34061	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	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.2
55.01871	9.0
55.05259	3.5
55.05510	48.1
57.03439	17.7
57.07075	3.1
59.05001	2.6
61.02920	4.2
65.03934	2.2
67.05507	59.8
69.03414	5.7
69.07064	17.1
71.04992	3.6
73.02914	3.1
79.05493	100.0
81.03397	5.9
81.07063	49.6
83.04983	25.7
83.08615	11.7
85.02887	2.8
85.06564	2.3
91.04964	3.3
91.05486	45.1
93.07049	57.5
95.04976	13.3
95.08605	26.4
97.02862	3.4
97.06516	3.5
97.10160	12.8
102.94182	2.0
105.07030	32.7
107.04960	26.3
107.08594	55.5
107.73412	2.4
109.06542	9.6
109.10165	21.9
111.08110	3.6
113.54507	1.9
115.05438	3.0
117.07014	11.1
119.01902	2.4
119.08572	27.2
121.06497	4.1
121.10149	21.9
123.08049	3.4
123.11697	4.7
125.09642	14.6
129.06960	4.1
131.01933	2.8
131.08554	16.5
133.03450	9.5
133.10129	25.2
135.08044	7.1
135.11681	7.7
143.01892	3.1
143.08641	2.5
145.03467	2.4
145.10141	13.6
147.11713	14.1
149.09625	51.0
149.13187	2.5
151.04500	3.4
155.01938	2.6
157.10123	3.4
159.04973	2.2
159.11711	9.5
159.16676	1.9
161.02953	4.0
161.13210	3.6
163.11139	2.3
163.14803	4.7
169.10208	2.4
169.12233	3.9
173.11736	3.7
173.13220	3.4
175.04512	6.1
175.11153	3.2
177.12759	2.5
179.14310	3.1
183.11676	2.3
185.02911	2.0
187.04454	2.7
187.13222	2.5
187.14825	3.5
189.11221	7.8
190.12076	2.2
191.14311	3.6
197.13315	2.6
209.15344	5.0
211.04565	3.1
211.06339	3.7
217.05627	3.5
229.05595	2.7
229.19301	4.7
247.20651	4.6
257.19009	8.0
275.20059	43.3
276.20163	2.0
295.08655	4.0
301.20041	6.8
319.21146	2.2
341.16876	2.7
349.13370	2.5
349.23724	32.3
349.27554	4.3
349.33960	1.9
350.17746	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60589	1.5
53.03938	5.8
55.01874	8.6
55.05510	51.9
56.96556	7.5
57.03435	20.3
57.07053	2.8
65.03928	3.6
67.05504	77.4
69.03423	5.1
69.07067	19.5
70.11634	6.3
71.04982	5.7
71.08623	1.7
79.05492	100.0
81.03404	4.1
81.07058	57.3
83.04981	24.3
83.08616	11.6
85.06576	1.5
91.05476	56.5
93.07043	65.4
95.04980	14.7
95.08603	35.1
97.06533	4.8
97.10175	13.4
98.21404	2.6
98.25243	1.7
99.08080	2.0
103.05488	2.1
105.07025	68.2
107.04942	25.4
107.07862	3.3
107.08586	60.0
109.06514	5.0
109.10159	25.9
109.23043	1.6
111.08054	5.2
117.07011	19.2
119.08575	43.2
121.06522	3.8
121.10142	28.3
123.08055	6.4
123.11707	6.6
125.09623	14.3
129.06985	6.1
131.08571	24.8
133.10129	33.1
135.08095	9.5
135.11670	10.1
137.09596	4.4
141.07010	3.5
143.08525	4.9
144.09265	2.7
145.10106	20.0
147.11685	21.4
149.09610	49.1
149.13280	3.3
153.09152	2.3
153.12816	2.0
155.08508	1.9
157.10178	3.9
159.11671	16.7
161.09610	2.7
161.13225	7.9
163.11186	4.1
163.14806	4.5
169.10144	3.8
169.12233	4.1
171.10245	2.4
171.11707	5.5
173.11836	2.9
173.13266	10.9
175.11182	2.1
177.12779	2.1
179.14363	3.0
182.33611	1.6
183.11687	4.1
187.11192	1.9
187.13348	1.9
187.14850	2.5
188.28270	1.9
189.11200	6.4
191.14302	3.0
197.13257	3.3
199.06334	2.1
201.12683	1.6
209.15392	4.2
213.07941	2.1
229.07265	2.8
229.19521	5.2
231.09045	3.5
239.17952	5.9
243.09062	3.2
244.62593	2.0
247.08543	1.6
247.20609	5.3
257.18958	12.0
275.20065	66.9
276.20206	2.3
331.15778	4.2
349.16766	11.6
349.20401	1.8
349.23697	47.5
350.24203	2.1
367.17776	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.01871	7.1
55.05264	2.1
55.05510	22.0
56.96556	5.2
57.03436	19.3
57.07058	2.9
59.04987	1.1
61.02922	2.2
65.03931	2.3
67.05503	40.3
69.03420	3.2
69.07067	24.3
69.25910	8.6
69.26330	3.3
71.04981	3.3
74.33320	1.1
75.09446	1.2
79.05488	46.1
79.85491	1.1
81.03403	2.9
81.07051	48.7
82.07394	1.4
83.04978	8.6
83.08614	7.2
85.06524	3.1
91.05476	41.2
93.07038	45.0
95.04971	12.7
95.08038	2.2
95.08601	28.2
97.02868	1.9
97.06503	6.4
97.10165	5.0
99.08115	1.6
103.05457	1.6
105.07024	41.1
106.07362	1.0
107.04940	12.3
107.07861	2.0
107.08592	36.0
109.06516	12.9
109.10150	11.8
111.08097	2.6
117.06997	14.8
119.01952	1.7
119.08575	25.1
121.06503	16.7
121.10136	16.2
123.08078	6.5
123.11720	3.0
124.38818	1.2
125.09612	3.0
129.06996	6.9
131.08563	25.0
133.03473	1.5
133.06474	3.7
133.10123	26.5
135.08092	6.3
135.11691	10.0
137.09592	4.0
138.54213	1.0
141.07039	2.8
142.07869	1.2
143.01895	2.8
143.07420	1.1
143.08514	5.6
144.08054	1.6
145.06508	2.6
145.08408	2.3
145.08969	1.9
145.10109	27.2
146.99629	1.4
147.08032	2.6
147.11673	19.7
149.09653	9.5
149.13290	3.8
151.11185	6.0
153.09151	1.3
155.08569	2.5
157.10124	7.4
159.08037	2.9
159.11674	15.4
161.02960	3.6
161.09593	4.2
161.13258	6.9
163.11180	9.3
163.14848	1.5
165.12843	2.1
169.10147	4.6
171.11723	5.2
173.03052	2.0
173.09631	2.7
173.13255	9.2
175.02765	1.3
175.11223	5.1
175.14743	1.4
177.12749	3.8
183.11671	3.6
185.13283	4.5
187.11179	2.3
187.14792	2.0
189.11256	4.3
189.12793	1.7
191.14352	3.4
197.13347	3.4
201.12744	4.3
203.14342	3.1
205.15904	1.9
207.13878	2.5
213.16304	2.0
215.14439	1.7
215.17990	3.1
219.13832	4.2
219.17488	4.4
225.14970	1.4
229.16022	1.8
229.19585	4.1
231.17543	1.7
233.15434	1.9
239.17920	9.3
244.09607	2.3
247.20668	5.2
255.76762	1.3
256.17010	1.5
257.19238	23.3
259.20416	1.5
275.20068	100.0
276.20441	3.5
277.11270	1.3
277.21631	3.9
293.21075	5.6
331.15701	5.4
331.21072	4.8
332.16229	1.3
349.16660	4.2
349.19986	8.9
349.23773	46.8
350.24057	2.3
353.94077	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.8
55.01872	11.5
55.05265	3.1
55.05512	44.1
57.03440	19.6
57.07075	2.9
59.04986	1.7
63.32663	1.8
65.03928	2.9
67.05503	79.6
69.03416	2.8
69.07067	21.3
71.04981	5.8
71.42592	4.4
72.77611	2.0
79.05493	100.0
81.03417	5.0
81.07056	61.0
83.04981	24.6
83.08611	12.7
85.06522	2.7
85.90660	1.8
91.04898	2.0
91.05482	57.4
93.07044	64.9
95.04965	15.5
95.08607	32.9
97.02919	2.2
97.06549	9.3
97.10191	12.7
102.97619	1.8
103.05466	3.7
105.04537	2.6
105.07021	56.0
107.04967	19.7
107.08594	56.2
107.29958	2.1
109.06506	6.8
109.10146	29.9
111.08066	4.4
115.05481	4.3
117.07009	20.0
119.08592	46.6
119.34321	2.1
121.06482	7.2
121.10142	26.4
121.65461	1.8
123.08070	8.8
123.11693	7.3
125.09667	10.6
126.64888	2.2
129.07013	3.6
131.08560	26.1
133.06425	2.0
133.10130	37.9
135.08098	6.5
135.11710	10.2
137.09627	6.1
141.06950	2.5
143.08548	5.3
145.10118	21.5
147.08020	2.6
147.11685	27.5
149.09621	41.9
151.11153	2.5
153.09087	3.5
154.07899	2.1
157.10129	3.9
159.11658	13.4
161.13240	8.2
163.11137	3.1
163.14746	3.8
169.10097	2.4
169.12253	2.9
171.11807	4.7
173.11818	3.7
173.13239	12.5
175.11244	2.3
175.62985	1.9
177.12680	3.1
179.14368	2.9
183.11623	2.7
187.11313	2.3
189.11230	8.0
197.13121	2.7
209.15446	4.9
215.14400	3.2
229.19479	7.5
233.15353	3.8
239.17975	2.5
247.20544	7.1
257.19055	12.0
275.20065	66.8
276.20352	3.6
276.72415	2.3
349.23718	40.9
349.27390	5.5
349.33722	2.1
350.24081	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	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01870	3.0
55.05259	1.5
55.05504	14.5
56.96551	2.7
57.03153	2.3
57.03435	41.4
57.07062	2.2
59.04990	1.6
64.51575	1.3
65.03929	2.2
67.05502	39.1
69.03410	2.4
69.07060	12.6
70.66428	2.3
70.66756	2.5
71.04980	1.4
71.22157	1.1
79.05490	44.9
81.03411	2.2
81.07050	37.9
83.04968	5.9
83.08611	6.7
85.06522	9.7
85.23653	1.4
91.05473	48.1
93.07039	41.8
95.04976	7.3
95.08603	29.0
97.06518	6.4
97.10146	4.2
99.04443	7.8
99.08071	2.3
105.07025	35.7
107.04924	5.1
107.08584	23.7
109.06500	11.4
109.10159	8.8
111.08072	2.4
115.92458	1.2
117.07014	19.7
119.07778	2.6
119.08571	30.9
119.09352	2.6
121.06479	2.3
121.10138	12.7
123.08044	5.1
125.09578	3.1
128.06192	1.3
129.06993	5.8
131.08565	27.1
133.10124	23.8
135.08014	4.6
135.11691	10.6
137.09543	2.7
143.08548	5.4
145.10098	22.0
147.11688	10.1
149.09624	4.9
149.13263	1.8
151.11166	2.0
153.12735	2.7
155.08658	1.9
157.10162	2.6
159.11694	11.4
161.13243	4.1
163.11111	2.6
171.11658	2.4
173.13295	6.7
175.14787	2.2
177.12694	1.7
183.11763	2.1
185.13211	5.4
187.14807	1.7
197.13281	2.8
201.16371	5.7
203.14308	4.5
205.94498	1.4
209.15396	1.7
211.14796	1.9
213.61786	1.6
219.17430	100.0
220.17842	3.0
239.17899	3.4
243.22787	1.7
252.09470	1.4
257.19000	11.3
275.20050	21.4
331.15744	1.9
349.16843	3.9
349.23743	30.4
349.27933	1.8
350.23773	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
55.01869	3.8
55.05515	15.1
57.03431	34.3
57.07074	2.4
61.02907	5.2
65.03926	2.1
67.05168	3.1
67.05502	46.4
67.39029	1.5
69.03409	3.6
69.07063	13.6
70.32263	4.6
71.04981	2.1
73.02898	2.1
75.20741	1.8
79.05495	42.7
81.03403	5.2
81.07054	52.0
83.04959	5.2
83.08604	7.2
85.02880	3.0
85.06565	9.6
91.03949	3.7
91.05480	55.1
93.07037	46.9
95.04952	7.6
95.08044	2.6
95.08604	32.3
97.02881	4.3
97.06511	4.9
97.10173	2.3
98.20792	1.7
99.04457	8.1
99.08096	1.8
105.07021	39.8
107.04934	6.9
107.08591	22.8
109.06516	16.2
109.10143	11.3
111.08065	3.1
115.05492	2.0
117.07025	19.5
119.01855	1.4
119.08576	27.8
120.08096	1.9
121.06502	3.1
121.10155	10.3
123.08036	7.2
123.11683	3.5
129.07002	5.8
131.08582	22.2
133.03464	6.3
133.10130	18.0
135.08035	4.8
135.11685	7.5
137.09612	3.2
141.07011	2.4
143.01839	3.0
143.08536	4.3
145.10135	17.0
147.11656	10.6
148.04729	3.4
149.09666	5.6
149.13242	4.3
151.04443	3.3
153.12729	2.1
154.76790	1.5
155.08549	2.4
157.10069	5.0
159.11682	9.2
161.02963	4.9
161.13289	3.6
163.11142	3.4
167.08534	2.4
171.11929	2.4
173.13226	5.3
175.04539	2.8
175.14755	2.0
179.08525	2.4
179.14291	6.8
183.11694	2.8
185.13264	5.7
190.12080	1.8
197.13255	2.1
201.16406	5.6
203.14247	4.3
205.10135	2.6
217.05504	2.6
219.17441	100.0
220.06889	2.9
220.17668	4.8
229.10146	2.0
247.20255	1.8
257.18924	4.1
275.20059	23.7
278.15189	1.6
301.20032	11.0
349.23535	16.2
349.27750	4.9
349.33978	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	349.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.3
56.96289	1.5
56.96563	26.5
57.03447	1.5
67.05509	3.6
69.07066	2.7
70.01038	1.4
70.01446	3.2
71.95261	3.5
72.96030	1.9
74.86259	0.7
79.05464	4.0
81.03397	0.8
81.07063	3.5
83.08646	1.3
85.02934	0.8
91.05474	3.7
92.55995	0.7
93.07034	2.9
95.04967	1.5
95.08611	2.7
102.96804	0.9
105.00201	1.2
105.07043	3.0
107.04932	1.1
107.08606	2.1
109.06486	1.6
109.10092	1.0
116.98638	0.9
117.07043	1.1
119.08568	2.1
121.10134	1.1
123.08059	2.2
128.98611	1.4
129.07033	1.5
131.08627	2.1
133.06537	1.1
133.10141	2.3
135.08122	0.9
141.02324	0.9
143.08537	1.0
145.10133	1.6
146.99660	3.5
147.11633	1.1
155.03790	2.2
157.10226	1.1
159.11763	1.6
161.01321	1.2
163.11140	1.0
169.01762	1.3
171.11819	1.1
173.04855	1.3
175.11264	1.1
177.12849	1.1
179.14386	1.5
185.04863	1.4
199.06395	5.5
201.08014	2.5
203.05899	2.0
211.06435	3.0
213.07977	14.3
217.07483	8.6
219.09155	1.5
220.82533	1.1
221.06999	0.8
229.07463	27.7
230.07904	1.0
231.09056	22.3
236.09705	1.8
241.07587	1.0
243.09000	8.2
245.10713	1.9
245.13498	0.9
247.08537	22.0
247.10994	1.5
252.09125	4.0
254.10742	2.1
254.94672	1.1
261.10110	7.0
266.10791	1.8
270.10303	2.3
275.20096	4.0
331.15915	3.8
349.16779	8.7
349.19992	100.0
350.20352	2.6
367.17813	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	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58142	2.5
54.76239	2.4
55.01865	4.5
55.05504	17.7
57.03427	15.4
57.07067	21.8
67.05502	50.7
69.07066	14.7
70.11656	14.6
70.11951	3.4
71.08620	11.4
79.05053	4.2
79.05493	38.8
81.03413	3.6
81.07054	50.2
81.75092	2.6
83.04966	7.0
83.08633	6.5
85.10168	6.8
86.25785	3.0
88.11261	8.5
89.06036	12.7
91.05486	42.2
93.07054	37.9
95.04959	8.2
95.08607	35.3
97.06549	5.2
102.57548	4.0
105.07030	49.6
107.04936	4.6
107.08566	19.7
109.06523	20.0
109.10156	15.5
115.05453	3.0
117.07001	20.7
119.08575	36.0
119.29381	2.6
121.10144	19.1
123.08070	36.1
123.11713	5.9
129.06981	5.1
130.07788	3.1
131.08568	27.0
133.08592	6.6
133.10136	29.1
135.08015	6.8
135.11687	9.2
137.09589	8.3
143.08578	5.1
145.10141	20.7
147.11743	15.8
149.09662	7.0
151.11182	3.8
157.10159	8.3
159.11687	20.7
161.13278	9.1
163.11165	6.6
170.95593	3.1
171.11708	8.2
173.09549	2.8
173.13264	13.4
175.11194	2.9
179.14307	76.4
183.11609	3.9
195.12270	3.6
197.13185	7.0
229.19643	6.9
237.16824	10.4
239.17918	6.8
247.20598	3.9
257.19052	18.1
275.20041	35.2
292.22733	3.5
292.26163	3.1
292.70721	3.0
293.23074	9.5
349.23550	100.0
349.27441	81.8
350.23843	5.4
368.92581	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.6
56.05022	1.3
56.96552	1.3
57.03410	1.9
64.92961	1.2
68.05014	2.4
69.03421	15.4
69.07079	1.5
70.06583	1.5
70.84156	4.4
70.84503	1.2
71.08631	24.6
72.04504	2.6
73.02905	4.9
74.02435	8.9
81.03415	17.8
81.07049	5.8
82.02928	16.8
82.06587	1.2
83.01338	3.3
84.04494	11.0
84.08128	1.5
85.02859	3.0
86.06071	1.3
86.09711	7.8
87.02702	2.4
87.34242	1.3
88.03976	3.8
88.11267	60.2
95.55583	1.2
96.04487	22.8
99.04466	11.9
100.03965	6.2
100.11259	22.0
101.02416	2.1
102.05554	13.0
108.04454	1.8
110.07101	1.8
114.05540	2.8
118.05010	3.8
120.77974	1.4
122.02731	3.9
124.03917	3.9
125.56422	1.3
128.03481	1.7
130.04973	4.5
132.01144	1.7
141.13844	3.7
146.04469	33.9
152.10632	1.6
169.13361	70.7
170.13533	1.3
172.13329	12.4
181.13470	2.9
183.14957	1.6
187.14450	3.5
198.11269	7.3
202.08961	4.8
211.14366	3.5
215.13918	31.7
216.12309	72.7
220.09869	2.0
220.43434	1.5
227.13916	11.7
231.52991	1.4
233.14955	100.0
234.15373	1.3
245.14973	22.8
257.14938	3.6
275.15970	5.8
313.17694	6.9
331.18579	3.0
349.19244	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	349.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
55.05497	1.9
56.96554	0.8
57.03428	1.6
62.84248	0.5
62.89283	0.5
63.36203	0.4
67.05507	3.8
69.03455	0.7
69.07050	2.2
69.29543	0.5
69.29841	5.8
75.36436	0.4
78.27824	0.4
79.05476	3.4
81.03410	0.7
81.07060	5.0
83.08657	0.6
85.02869	0.7
91.05479	4.8
93.07056	4.0
95.04958	1.4
95.08604	3.2
96.08130	1.3
97.06523	0.7
105.07030	4.1
107.04946	0.8
107.08579	2.7
109.06524	0.9
109.10147	1.2
116.98666	0.6
117.07016	1.7
119.08600	3.1
121.06482	0.9
121.10133	1.5
123.08072	0.7
125.09691	0.7
129.06931	0.8
131.08578	2.4
133.10127	2.5
135.08006	0.6
137.05762	1.5
141.07021	0.6
145.10094	2.5
147.11693	1.4
149.09624	0.9
149.13254	0.6
157.10117	0.6
157.42613	0.6
159.11703	1.5
161.13246	1.0
163.11247	0.6
183.11710	0.7
211.67014	0.5
219.10657	0.5
235.13010	1.0
239.17860	0.7
247.20522	0.6
253.12932	1.4
257.18991	1.6
261.14536	0.7
271.13882	0.8
275.16147	0.5
275.19998	2.0
280.12851	0.7
349.19873	100.0
349.23441	4.9
350.19962	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.01863	2.7
55.05499	6.6
56.96561	85.9
57.03430	7.5
57.07079	1.2
57.83146	1.1
58.42273	1.0
67.05177	1.1
67.05501	16.5
69.03426	1.7
69.07060	12.2
69.99577	1.1
71.41639	1.2
71.41964	1.7
71.95257	9.6
72.96036	4.0
74.97610	3.5
76.26234	1.1
79.05489	15.2
81.03361	1.1
81.07055	19.7
83.04969	5.8
83.08601	2.6
84.96035	2.0
85.06546	1.3
91.05477	14.8
92.98626	1.8
93.07039	17.7
95.04980	6.9
95.08598	13.5
97.06509	3.2
97.10122	2.0
97.96793	1.5
98.97578	1.6
105.00141	1.0
105.07027	16.7
107.04953	5.6
107.08588	13.1
109.06490	7.4
109.10142	5.5
110.97558	2.4
111.08074	1.6
115.00677	2.1
115.97797	1.4
116.98632	1.8
117.07040	5.4
119.08581	10.3
121.06504	6.6
121.10152	6.9
123.01221	1.7
123.08063	3.9
123.11678	1.6
125.09554	1.2
128.98575	6.5
129.07014	2.6
131.08542	8.5
133.01723	3.0
133.06483	1.6
133.10110	8.4
135.08020	2.7
135.11687	4.5
137.02747	4.3
137.09590	2.2
141.02188	1.5
141.15350	1.2
143.08568	3.3
145.01697	1.0
145.06470	1.3
145.10120	6.0
146.99655	8.2
147.08032	2.3
147.11678	7.9
149.09602	3.8
149.13301	1.9
151.11201	2.8
155.03790	6.4
155.08553	2.0
157.10092	1.5
159.11676	6.2
161.01193	1.5
161.09648	2.5
161.13269	2.1
163.11172	4.0
165.00682	2.2
167.03780	1.3
169.01721	1.3
169.05389	2.4
171.03290	4.4
171.11717	1.4
173.04881	5.4
173.09602	1.4
173.13263	3.9
173.66451	1.0
175.11154	1.5
177.04283	1.3
177.12700	3.1
179.14287	2.1
181.05319	2.5
183.03299	1.8
183.06886	2.4
185.04865	4.6
185.13252	1.8
187.06421	2.3
189.04332	3.1
191.05864	2.6
191.14153	1.2
193.05287	1.3
195.06966	4.4
197.04839	2.0
197.13274	1.4
199.06418	19.3
201.04251	1.2
201.07965	8.2
201.12729	1.4
203.05965	7.8
203.09555	1.7
205.07458	1.7
207.13860	1.9
209.04910	1.5
211.06352	12.3
213.07971	45.2
215.05986	2.1
215.09520	1.1
215.17928	1.1
217.07474	27.0
219.08965	5.1
219.13788	1.4
223.02715	1.6
223.08507	1.1
225.07964	3.4
227.09538	1.5
229.07462	87.1
229.19424	1.7
230.07886	2.1
231.09029	65.8
232.09337	1.6
235.08661	1.4
236.09554	4.6
239.09575	2.1
239.17929	1.4
241.07542	2.3
243.09048	26.1
245.10631	3.1
247.08511	78.5
247.20587	3.2
248.08913	2.3
249.10330	1.4
252.09032	8.5
254.10669	4.0
257.18985	10.2
258.07877	1.1
261.10062	19.5
266.10623	4.0
270.10098	4.3
275.20047	51.6
293.20975	2.2
297.13535	1.2
313.14746	2.3
313.22842	1.3
319.15649	1.3
331.15811	15.1
349.16858	100.0
349.23392	15.4
349.27618	2.5
350.17120	4.2
367.17960	30.7
367.22589	1.1
368.18399	2.0
372.18375	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2945
Annotation	5-(Heptadec-12-enyl)resorcinol
Peak:m/z	Relative Intensity
53.03955	0.3
55.01867	0.4
55.05514	3.7
57.07076	4.1
65.03928	0.5
67.05499	1.9
68.99776	0.5
69.07066	3.5
71.08276	0.2
71.08632	2.3
71.33662	0.4
73.51840	0.2
73.70359	0.2
81.07057	0.5
83.08633	1.5
85.10179	1.3
91.05454	0.2
91.94891	0.2
95.04974	2.7
95.08556	0.3
97.10167	0.8
109.06494	0.3
111.04443	0.8
114.02627	0.2
123.04425	100.0
124.04780	1.0
137.05974	2.6
151.07561	0.6
165.09105	0.4
188.23967	0.2
221.15274	0.3
249.18451	0.3
277.21548	0.3
347.29453	16.7
348.29874	0.5
348.84457	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39315	6.5
53.03927	9.2
55.01858	18.6
55.05513	44.2
56.96562	34.6
57.03443	32.0
57.07067	6.8
59.48619	7.4
67.05496	100.0
69.03407	8.8
69.07053	41.8
70.72867	16.3
71.04998	9.2
79.05490	58.8
81.07047	98.7
82.03976	6.3
83.04944	7.5
83.08610	26.5
85.02887	9.3
85.06523	12.0
88.31329	6.1
91.05478	76.0
93.07050	53.7
95.04961	18.1
95.08597	49.3
97.02884	10.5
97.06529	11.0
97.10171	12.4
98.96946	7.9
98.97574	21.7
99.08132	8.2
105.07025	67.6
107.04932	20.1
107.08601	52.8
109.06480	13.2
109.10162	60.7
111.08041	10.0
116.98587	23.5
117.06991	26.6
119.08590	49.2
121.06500	11.6
121.10126	27.6
121.93625	6.8
123.11697	10.1
125.09605	15.6
129.06969	16.6
131.00211	10.8
131.08537	37.1
133.10127	42.5
134.99608	19.4
135.07988	6.5
135.11662	15.9
143.00034	7.1
143.08583	16.5
145.10121	41.6
147.11676	23.4
147.32477	6.6
149.01157	34.4
149.09604	13.9
149.13275	16.0
155.10655	10.0
156.03642	13.7
157.10150	15.1
159.11678	23.3
161.13237	11.5
163.11191	12.0
167.02223	7.9
167.54538	7.7
171.11690	14.7
173.11758	88.2
173.13168	13.6
177.00676	13.8
189.11188	15.1
195.13797	19.0
213.14793	15.3
222.61520	7.0
239.17952	13.9
257.18958	26.8
259.12689	7.3
268.13251	9.7
275.19989	35.9
277.21689	20.7
285.09940	14.4
295.22519	10.5
303.11212	16.0
326.15710	14.5
340.15219	19.1
349.15848	13.1
349.19843	13.1
349.23517	35.1
366.84079	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	349.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.5
56.96562	39.5
57.07084	1.1
67.05481	4.1
69.04515	0.9
69.07063	12.2
70.09117	4.2
70.10857	0.9
71.95248	3.6
72.96009	1.4
73.07841	1.2
74.97578	2.0
76.86247	1.1
79.05481	5.0
81.07068	6.2
84.96003	1.8
87.32760	1.2
91.05466	4.2
93.07015	3.7
95.08584	3.4
97.96844	1.7
98.97589	1.3
105.07011	3.3
107.08556	3.1
109.06535	2.5
109.10195	1.8
110.97567	2.4
115.97870	0.9
116.98584	2.3
117.07015	1.5
118.12188	1.1
119.08571	2.2
120.08025	1.2
121.10171	1.6
123.01180	1.7
123.08067	3.1
128.98566	6.2
131.08533	2.3
133.10153	2.5
134.99628	2.8
145.10088	2.8
146.99649	15.4
149.13190	0.9
155.03813	3.2
159.03200	1.0
161.01207	3.7
165.00743	3.2
167.03873	1.1
169.01741	1.4
169.05339	1.1
171.03294	2.3
173.04874	1.2
179.02280	1.2
179.14308	2.3
181.05345	1.5
183.03171	1.2
185.04869	2.3
187.02747	1.4
187.06424	1.6
188.81393	1.0
189.04335	4.2
191.05861	1.1
197.04831	1.7
199.06403	8.6
201.04367	1.2
203.05917	4.5
205.07458	5.3
211.06363	2.2
213.07901	1.6
217.07457	17.5
221.04813	1.0
223.02798	2.8
223.08519	5.2
225.07898	2.7
229.07515	4.2
231.09036	1.6
237.04308	3.4
237.07983	4.2
239.09482	2.3
243.09019	5.1
244.14278	1.1
247.08530	1.4
251.09593	3.4
253.11101	3.1
255.06248	1.9
255.09030	31.8
256.09427	1.1
257.10712	2.3
267.21011	1.4
269.10651	3.4
271.12140	1.9
273.10086	23.5
274.10593	1.5
275.19986	2.5
278.10608	2.9
279.09027	2.1
280.09753	8.5
296.11691	1.6
297.09875	1.4
298.10870	4.0
303.11407	1.4
303.16376	2.0
321.17413	2.3
331.15744	33.0
332.16245	1.5
349.16840	100.0
349.27505	2.6
350.17044	4.8
367.17877	33.1
368.18423	2.3
372.18430	14.6
373.18698	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79750	1.8
51.26898	1.9
57.07075	4.1
59.82983	1.7
69.07056	2.4
70.90892	3.8
70.91246	2.9
72.24409	1.7
79.05494	3.0
85.80531	2.0
122.79060	2.0
124.77205	1.8
128.34003	2.0
149.02325	3.2
193.04997	8.3
195.91733	1.7
214.71933	2.0
224.65640	10.0
225.15889	2.7
256.26254	2.2
323.26617	2.0
347.21945	100.0
347.26578	4.3
347.33566	2.8
348.21997	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	347.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	2.6
56.91297	0.7
57.07065	3.3
58.06600	1.4
67.02170	0.8
67.05470	0.9
69.60378	6.1
71.08626	1.6
74.06071	1.6
79.54657	0.7
81.03426	0.8
85.76494	0.7
88.07626	8.2
89.07966	1.7
92.81361	0.8
93.83723	0.8
98.21436	1.9
118.08644	1.6
123.82213	0.8
133.86493	1.2
135.08020	1.9
149.02304	0.8
193.04988	1.6
224.65625	2.5
229.61995	0.8
248.63065	0.7
249.14601	3.3
298.26828	0.8
298.30750	0.9
299.31360	8.9
305.31711	0.8
311.40060	0.8
328.73917	0.8
344.78864	0.8
347.21936	100.0
347.33475	31.3
348.22168	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	347.2192
Annotation	Cortexolone
Peak:m/z	Relative Intensity
55.85051	0.6
56.05022	1.5
56.96561	0.6
57.07066	2.2
58.06594	0.7
60.04498	1.4
62.09048	0.6
69.07056	0.9
69.34196	5.2
69.34601	1.8
71.08618	1.2
74.06070	1.4
75.06392	0.7
79.05505	0.7
81.07039	1.0
85.10189	0.7
88.07244	0.6
88.07636	6.6
89.07954	1.3
95.08553	0.9
102.41479	0.6
107.08594	1.0
109.17137	0.6
135.08029	2.2
164.77736	0.6
168.17459	0.7
177.12653	1.1
193.05045	1.0
224.65630	0.8
225.76598	0.6
249.14566	2.3
265.14026	1.0
278.07788	0.7
298.31152	0.7
299.31384	6.4
347.21930	100.0
347.33423	20.4
348.22275	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16653	2.5
53.03942	5.9
54.39724	2.3
55.01869	6.1
55.05503	20.6
56.96558	5.5
57.03432	6.8
61.02916	3.1
67.05496	31.8
69.03415	3.3
69.07065	19.6
69.80935	4.1
69.81348	12.5
71.04990	20.0
71.59180	2.5
76.81686	2.4
78.68053	2.4
79.05492	25.6
81.03420	3.2
81.07051	83.8
83.04980	8.6
83.08604	15.7
85.02877	3.0
85.06544	18.5
91.05471	37.1
93.07050	29.8
95.04970	8.2
95.08603	99.2
97.06513	26.9
97.10172	7.9
98.52665	2.7
98.97526	4.3
99.08076	9.5
105.05494	7.1
105.07027	36.2
107.08603	18.6
109.06545	3.4
109.10175	6.0
111.08062	5.8
117.06982	4.5
119.08580	51.1
121.10128	13.2
123.08060	9.9
131.08565	8.9
133.04967	14.5
133.10133	34.0
134.97571	2.8
135.11696	21.5
137.05951	8.3
137.09605	3.9
137.13228	16.7
143.08510	8.0
145.10092	6.2
147.08078	3.6
151.05968	3.2
157.10094	3.6
159.08047	4.1
161.09676	3.2
161.13245	100.0
179.14294	71.5
179.15828	5.7
197.15358	30.4
197.18202	2.7
215.16350	5.2
233.11737	3.3
255.14478	6.2
273.18481	3.8
290.90402	2.9
311.18695	17.5
347.22992	77.9
347.27194	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	347.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43800	1.8
54.03473	4.6
55.01871	3.6
55.05504	6.1
56.05028	12.6
56.96553	8.3
57.03422	2.3
58.06576	2.8
60.04525	32.0
65.03928	3.2
67.04244	9.5
67.05479	3.4
68.05029	2.0
69.03428	9.7
69.07050	6.4
70.02962	2.0
70.04012	2.2
70.06590	14.5
71.58215	3.4
72.04507	6.3
72.07750	2.5
72.08150	45.4
73.02911	5.6
73.08479	3.7
74.02440	26.5
74.06071	22.8
80.05007	4.5
81.03423	24.1
82.02930	5.7
82.06575	69.7
83.06098	28.7
84.04502	80.7
84.08141	45.0
85.02920	12.8
86.06052	2.9
86.09701	100.0
87.05598	13.3
88.03986	6.9
91.05471	3.1
93.05808	3.3
94.06573	2.4
95.06087	3.9
96.04472	5.7
97.02909	4.5
98.06035	3.7
98.97575	7.6
99.04446	4.5
99.05573	28.5
100.03974	10.4
100.07610	5.2
101.07131	17.2
101.10757	2.5
102.05536	6.9
105.06626	3.9
106.05026	27.4
108.08102	3.3
110.06036	5.0
110.07134	4.0
110.09682	2.5
111.04380	2.5
113.07129	2.3
114.05520	2.7
116.07049	3.1
116.98601	5.9
117.06588	2.8
118.05020	15.7
118.08669	3.3
119.01912	3.7
123.04434	10.0
124.11199	3.7
126.05531	4.6
127.03914	3.1
128.07022	3.0
128.10744	7.3
128.98595	2.7
129.06580	11.0
129.10226	23.5
130.05000	46.2
130.08646	4.0
131.01920	2.3
131.05351	2.4
131.11916	2.1
132.10188	4.5
133.05107	2.9
133.06104	9.2
134.46512	2.0
134.99640	3.0
135.04411	2.9
136.06154	11.9
138.05510	5.4
140.07104	2.5
141.06595	4.8
143.00189	2.4
143.11786	3.9
144.06580	4.0
145.06070	8.1
146.04474	41.9
146.99579	2.2
147.04482	2.2
147.07642	55.4
148.03928	7.0
149.03018	2.8
149.04283	6.5
150.05511	3.8
151.03889	3.7
152.10706	3.5
156.06615	2.9
158.99626	2.5
159.07678	2.8
159.11375	3.0
161.01184	5.5
161.02930	2.9
163.03951	5.6
163.07130	33.8
165.00728	2.6
166.04982	9.3
167.05334	11.8
167.06903	2.9
169.03532	2.5
169.04984	6.7
171.07607	3.3
173.12842	34.1
177.00694	2.3
179.03851	2.1
183.11176	2.4
184.06046	18.2
185.06538	10.2
185.09296	3.6
185.12881	3.3
187.14397	26.3
189.08638	2.6
189.12440	2.9
191.61586	2.0
196.14461	20.6
197.12883	22.5
201.12294	10.2
207.01784	3.1
208.99611	2.1
212.05551	4.8
214.15558	9.2
215.13922	11.5
216.09711	5.7
217.08179	4.9
219.01750	3.2
223.01282	2.6
224.13924	9.8
225.12376	5.4
230.06728	3.3
234.12344	6.0
237.00645	2.3
237.02861	5.9
242.14845	3.3
243.13338	3.6
279.07568	3.0
312.15527	2.5
329.12375	2.1
329.18073	19.9
334.22430	2.1
347.13928	3.1
347.19150	3.5
347.22806	9.5
348.12799	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	347.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29691	1.1
52.67138	1.0
53.03935	2.8
55.01865	2.1
55.05491	4.3
56.05017	3.5
56.96568	2.8
58.06603	1.6
58.99572	1.8
60.04511	4.4
67.05489	4.4
68.05019	3.3
69.03423	11.0
69.07068	15.9
70.02949	1.2
70.06593	9.9
70.59544	3.8
71.04984	1.5
72.04514	2.8
72.08157	12.4
73.02928	1.9
73.08476	3.2
74.00633	1.3
74.02435	8.3
79.05487	2.4
80.05001	1.7
81.03413	13.7
81.07043	1.6
82.02934	4.0
82.06580	2.7
83.04978	3.1
84.04506	14.9
84.08143	15.8
85.01124	1.6
85.02881	5.1
85.08926	4.5
86.00665	2.3
86.09702	100.0
87.00279	1.1
87.02689	2.9
87.10036	3.1
88.03982	2.5
91.05467	6.6
93.07029	1.8
94.06554	3.3
95.04960	1.3
95.08576	2.0
96.04507	9.8
96.08121	5.3
97.02882	2.1
98.06045	2.5
98.09682	21.4
98.97523	1.5
99.04472	7.5
99.05557	4.0
100.03982	2.3
102.05545	1.8
105.07030	1.4
107.08569	5.0
108.04507	1.2
109.02857	1.1
110.06022	2.9
110.07165	1.5
110.09662	1.9
112.07566	1.5
113.04234	1.7
114.05527	5.1
115.02154	58.8
115.03300	3.5
116.98598	1.7
118.04996	4.3
120.08089	3.6
122.09663	11.7
123.04443	1.3
124.03933	3.6
124.07595	5.5
124.11214	2.4
127.03906	1.6
128.10646	1.5
129.10249	2.7
130.04996	5.2
133.06500	1.4
136.06140	2.4
138.05463	1.6
139.12306	3.0
140.05246	1.8
140.10666	1.4
142.05040	1.8
142.08624	2.4
145.06116	2.0
146.04596	6.1
146.05997	14.2
149.05966	1.3
149.09615	1.7
150.09142	11.8
152.10710	2.4
156.08365	1.6
157.06071	1.5
159.60771	1.2
166.12276	2.0
167.07123	1.3
167.11807	17.9
170.11745	18.6
174.05507	4.5
185.12833	3.3
187.10809	2.7
188.05460	1.5
188.11089	3.2
192.10075	1.4
195.07779	2.3
196.09706	5.7
200.07378	9.3
201.05803	11.1
205.10912	1.2
209.12949	2.1
209.92206	1.1
213.12312	18.3
214.10733	57.2
216.10490	1.4
218.06165	2.6
218.08427	8.0
220.13179	1.5
225.12323	3.6
226.07022	2.7
226.08994	2.3
231.13402	52.9
241.09755	1.5
243.13382	11.7
244.10101	1.8
248.05202	1.3
255.13385	3.6
259.11072	1.7
265.07825	1.9
266.13931	1.6
272.07242	1.3
273.14426	4.8
286.14771	1.4
293.14963	1.4
311.16086	12.3
323.13910	1.2
329.17172	2.3
330.09802	1.7
347.12338	5.9
347.18649	2.3
347.22452	1.8
347.26239	1.9
348.18280	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79580	0.4
55.65263	0.4
56.96542	0.7
69.03413	0.9
70.06577	0.9
71.57323	0.9
71.57672	0.5
72.08138	1.5
74.06074	0.7
84.04470	0.5
85.02879	0.5
85.38871	0.5
86.09686	1.5
91.92972	0.5
98.97562	1.0
113.07146	0.5
116.98607	1.0
118.08716	0.5
121.47281	0.4
123.04475	0.5
126.96700	0.5
129.43990	0.5
134.99687	0.6
161.01224	0.5
161.02901	0.6
167.06819	0.5
167.48497	0.5
185.04300	11.8
185.07845	100.0
186.08177	1.8
189.12364	1.0
221.05118	2.6
226.63405	0.6
237.02774	0.5
252.49448	0.6
275.09808	2.6
279.07501	1.6
285.08334	0.8
303.09378	1.1
321.10406	0.6
346.19531	0.5
347.13074	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	347.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	1.2
64.40009	0.5
66.18415	0.5
69.03421	1.0
69.07058	0.6
70.06576	1.1
70.72233	1.4
72.08149	1.4
74.06078	1.0
74.65776	0.4
81.03413	0.9
82.06565	0.9
84.04482	0.9
84.08116	1.0
85.02917	1.1
86.09690	2.7
96.04513	0.5
97.02914	0.6
98.97575	1.8
100.50217	0.5
102.05551	0.9
104.10736	0.6
105.73323	0.5
116.98602	1.3
126.05585	0.6
132.10162	0.8
134.99701	0.7
146.99655	0.6
153.28943	0.5
156.02623	0.5
161.01247	0.5
170.11743	0.6
173.02858	0.6
185.04303	11.9
185.07841	100.0
186.08220	2.0
188.12807	0.5
189.08662	0.9
189.12297	0.6
219.01897	0.6
221.05084	2.5
237.02852	0.9
265.07806	0.8
275.09784	2.2
279.07477	3.1
285.08215	0.7
297.08542	1.1
303.09152	1.8
321.10364	1.1
347.13120	11.5
347.16971	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55254	2.0
53.03942	5.1
55.01861	8.3
55.05513	100.0
56.05012	3.0
56.96552	6.2
57.03424	9.0
59.04994	2.0
60.04514	3.2
61.02926	2.5
67.05506	3.8
69.03429	25.9
69.07058	4.5
70.06596	13.1
70.89277	6.7
71.01357	2.7
71.04976	6.2
72.08154	11.7
72.93785	2.0
73.02902	4.1
73.41559	2.3
74.06081	2.6
79.05466	3.8
80.05048	3.1
81.03405	8.9
81.07056	6.6
82.06553	3.9
83.04973	7.8
83.08621	57.9
84.04498	8.7
84.08141	16.0
85.02903	32.7
85.06544	3.4
86.09711	17.5
87.00816	8.5
87.04472	4.3
88.87151	2.0
91.05477	3.3
95.04939	4.2
96.00616	3.3
96.04491	2.7
97.02890	32.5
97.06486	3.6
98.97617	2.5
99.04462	2.5
99.05569	4.1
101.28094	2.2
105.01843	6.0
105.07031	2.8
109.02872	3.8
115.03162	3.1
115.03925	52.0
116.07080	2.9
116.98649	4.8
120.08122	4.7
121.06465	2.8
123.04469	3.7
123.08083	3.0
125.02332	8.8
127.03915	5.9
129.10246	7.0
130.04971	3.9
133.04942	6.9
136.06192	9.8
137.05937	3.6
138.05508	2.6
143.03406	2.8
143.07121	2.2
146.04507	4.4
161.04469	17.5
163.03902	10.3
167.10641	4.2
179.03418	2.4
201.03983	6.8
203.07980	3.0
219.04996	3.7
226.08606	4.6
232.12141	2.4
232.99438	2.6
247.04436	3.0
247.12900	2.2
248.05397	4.2
255.01692	3.5
265.07852	4.2
284.09943	2.6
287.10324	2.2
301.12296	2.4
311.10620	2.5
347.08087	3.2
347.12384	16.4
347.16821	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	347.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.01863	2.5
55.05505	4.5
57.03423	1.4
65.03924	1.7
67.05495	5.9
69.03423	53.8
69.07061	3.0
69.77335	5.0
71.04987	6.5
77.03902	1.0
79.05483	10.5
79.89827	0.7
81.03410	22.7
81.07053	16.2
83.04973	4.9
85.02897	6.0
87.00806	2.5
87.04443	1.8
91.05472	19.3
93.07034	69.7
94.07318	0.9
95.04958	10.1
95.08594	8.8
97.02872	3.6
97.06542	2.0
98.21433	0.8
99.04453	1.5
103.05456	2.7
105.07021	45.7
105.73708	0.9
107.04957	4.0
107.08585	100.0
108.08924	1.2
109.02840	1.5
109.06513	6.3
109.10139	2.7
111.04436	2.6
113.05955	0.8
115.05460	2.4
116.06249	1.0
117.07003	8.9
119.04891	1.4
119.08566	16.8
119.09350	1.4
120.92567	0.7
121.06509	5.0
121.10124	5.8
123.04421	2.4
123.08055	10.2
123.11681	1.5
127.03911	3.5
128.06168	1.8
129.06989	5.5
130.07750	1.8
131.04948	1.4
131.08548	11.2
133.06470	5.0
133.10114	15.7
135.08067	9.4
135.11679	52.8
137.05980	1.3
137.13258	0.9
141.06996	3.1
142.07776	6.3
143.08545	5.2
145.06462	2.8
145.09024	1.3
145.10118	18.6
146.10458	0.7
147.08061	4.7
147.11665	20.8
148.11958	1.1
149.06035	1.3
149.09599	2.4
149.13315	0.8
151.07631	0.8
151.11168	1.3
153.05466	2.3
153.06923	1.5
154.07751	1.7
155.08545	5.6
156.09315	1.8
157.06541	1.0
157.10117	10.6
159.08044	6.9
159.11656	4.4
161.09610	3.1
163.07584	1.3
163.11168	32.2
165.07027	1.1
165.12750	10.6
167.08534	2.2
168.09370	1.5
169.10161	4.5
171.08038	1.6
171.11714	2.8
171.77261	0.7
173.05821	0.8
173.09644	4.3
175.07472	0.9
175.11154	11.6
176.88954	0.8
177.12721	1.0
179.08536	0.9
181.10091	1.1
182.10899	2.1
183.08076	2.9
183.11681	2.3
185.09570	3.9
187.07567	1.7
187.11111	4.6
187.14845	1.4
192.09373	1.4
193.12227	23.6
195.11717	0.9
196.08734	0.9
197.09584	1.3
197.13264	5.5
199.11186	2.7
201.09068	2.4
201.12724	3.0
203.10580	1.2
207.11743	2.1
215.10797	0.8
215.14313	8.4
217.12308	1.0
225.12732	7.3
233.15344	2.2
243.13783	26.2
253.07303	0.8
261.14841	56.5
262.15060	2.3
329.13788	2.3
347.14859	41.5
348.15155	1.0
365.15765	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	346.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.6
56.96563	16.1
67.05495	6.1
68.59002	1.5
69.07056	4.0
71.59047	2.4
79.05493	3.0
81.07050	6.3
83.08583	1.9
84.96032	6.2
91.05453	3.8
93.07039	2.6
95.08614	3.9
97.10168	2.6
98.97577	100.0
107.08607	3.7
109.10173	4.8
112.99126	7.7
116.98614	76.4
123.15531	1.6
124.95442	2.2
126.38512	1.5
128.98593	5.6
131.00151	28.2
132.66313	1.6
134.99649	48.9
140.00182	3.7
140.98637	2.0
142.96555	6.8
144.98065	3.1
146.99646	4.3
149.01219	36.3
153.00726	5.4
158.01247	4.2
158.99649	27.5
160.97580	9.9
162.99165	8.6
167.02284	5.2
172.02919	2.5
173.01213	41.3
173.11765	4.7
177.00702	68.7
178.98630	3.6
184.97617	5.4
189.00769	3.4
191.02246	54.1
194.79166	1.7
195.01746	4.8
200.02287	4.4
201.00722	15.4
202.98611	24.2
209.03316	3.2
214.03841	7.6
219.01750	22.2
220.99779	6.9
226.00328	3.0
226.98599	2.5
231.01953	1.9
237.02908	2.7
242.03278	2.4
244.99686	53.4
263.00708	14.4
268.01370	3.4
275.20087	2.2
281.01785	2.6
286.02319	4.1
305.02029	1.8
314.11005	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	346.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60067	1.0
55.01862	1.2
55.05510	9.6
56.05029	2.9
56.96546	1.3
57.03430	1.1
59.59029	1.1
60.04514	5.7
62.06091	1.0
67.05499	2.6
69.03419	3.0
69.07059	2.5
70.02940	1.7
70.06585	4.5
71.04962	1.5
71.54432	1.0
71.59721	1.3
72.04503	2.0
72.08152	85.3
73.02932	1.1
73.08490	1.7
74.06066	5.4
79.05490	2.3
81.03422	3.1
81.07056	2.2
82.06577	8.2
84.04484	1.6
84.08128	4.0
85.02918	2.4
85.04028	2.3
86.09702	73.7
87.10005	1.1
88.03987	16.8
91.05474	11.1
92.05788	1.2
93.07057	1.9
94.06570	1.5
95.04976	2.0
95.08612	2.4
96.04466	1.2
96.08125	5.2
97.02901	2.0
97.06499	1.1
98.02416	6.4
98.06065	1.7
98.09694	2.5
98.97594	2.9
99.09198	3.4
100.03996	4.6
100.07655	1.5
107.04950	3.8
109.06525	1.2
116.07086	1.6
116.98570	1.4
118.08686	2.7
119.08551	1.6
120.08135	2.1
124.07605	5.9
127.03962	1.6
127.08683	18.5
128.07108	4.0
129.10248	1.4
131.08592	1.3
132.10178	9.9
134.08107	2.2
137.05997	2.3
138.09151	3.2
141.10260	7.9
142.08618	27.7
152.07079	2.0
156.10222	5.8
159.89445	1.3
169.09735	7.4
170.08151	3.5
183.09309	1.5
183.11288	2.9
184.09714	3.1
185.16551	2.5
187.10776	100.0
188.11223	1.5
193.12321	1.0
197.09283	2.2
201.12338	54.7
202.10770	2.6
203.13890	2.5
210.14720	2.4
213.15953	1.3
214.10728	1.4
215.10260	24.8
216.10562	1.3
219.01805	1.5
229.11852	11.6
231.13345	1.6
231.16913	1.8
237.02852	1.3
241.09712	2.6
266.13654	1.2
267.56400	1.1
269.09143	1.6
287.10156	1.3
301.11847	1.9
302.20023	1.3
322.81143	1.1
346.22079	3.3
346.25922	4.1
347.12344	8.4
347.16779	10.7
367.95236	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2334
Annotation	Thr Leu Ile
Peak:m/z	Relative Intensity
53.48139	0.5
55.05500	0.9
56.04774	0.9
56.05029	8.8
57.03428	0.9
58.06595	4.1
60.04507	2.1
67.05476	1.2
69.03417	0.6
69.07066	6.0
70.06597	3.5
71.57304	0.5
71.58470	0.5
72.08147	2.8
73.04034	2.3
73.83409	0.5
74.06075	25.1
74.30735	0.4
81.03426	0.9
81.07023	1.0
82.06546	0.5
83.04967	0.8
83.08623	0.5
84.04496	6.5
84.08144	2.5
85.02891	1.2
86.09698	55.4
89.46488	0.5
91.05462	2.2
93.07033	0.6
98.09659	1.5
98.97572	0.9
101.07132	22.3
102.05487	0.7
107.04970	1.1
108.04401	0.5
110.09632	0.6
115.05468	0.5
116.07074	1.0
116.98560	0.6
119.08176	0.5
120.08056	0.9
121.06440	0.8
121.10080	0.6
122.09623	0.7
124.07550	0.7
124.11211	3.3
126.09141	1.4
126.12775	1.4
127.08610	0.4
128.41589	0.4
129.10234	0.8
132.10254	2.5
132.11029	0.5
137.06024	0.6
142.12257	11.5
143.11795	6.4
146.05907	0.5
149.05869	0.7
152.10733	0.8
169.13383	1.9
184.13286	0.8
187.14403	100.0
188.14673	0.6
188.75066	0.5
197.12872	0.8
199.18005	1.4
214.04700	1.5
215.13884	21.8
216.14163	0.6
216.53847	0.5
233.14955	0.8
245.18555	1.8
282.18246	0.7
300.08377	1.4
301.11548	0.6
302.17389	2.7
310.23807	0.7
328.18491	0.8
346.08942	4.2
346.16144	0.7
346.20093	2.1
346.25873	1.0
347.12582	1.2
347.16754	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2351
Annotation	Ile Thr Ile
Peak:m/z	Relative Intensity
57.07075	2.8
58.06579	0.3
58.23734	0.3
59.57967	0.4
70.06587	5.1
71.08627	0.9
71.42016	0.4
73.63875	0.3
83.04968	0.4
84.62125	0.3
85.10175	0.5
85.47346	0.3
88.07616	5.9
97.06529	1.4
102.09128	0.4
106.08633	0.8
109.06513	0.8
110.06823	0.8
114.09169	1.4
118.08663	0.6
132.10185	6.7
150.11240	6.1
270.27991	0.5
284.29279	0.5
302.30554	2.0
318.24014	6.4
328.22903	0.4
346.23517	100.0
346.33020	34.5
347.23865	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	345.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.6
56.05027	2.2
56.96562	3.1
60.04535	1.5
68.05029	4.4
69.03423	5.6
70.06582	8.0
70.26447	3.0
70.56609	0.7
71.04966	0.9
72.08150	21.6
74.02444	1.4
74.06062	0.7
79.05495	1.2
80.05028	1.1
81.03400	11.4
82.06584	5.3
83.04478	1.3
83.04976	27.3
84.04496	57.2
84.08134	10.8
85.02895	5.7
86.06059	1.8
86.09706	8.7
88.03970	1.7
89.03899	1.1
90.05576	1.3
91.05455	5.1
93.06999	1.2
94.06569	1.6
94.27151	0.8
95.26620	0.7
96.04532	1.0
97.02889	1.2
98.06043	10.0
98.20835	1.1
98.97569	2.0
99.04443	4.2
99.05575	1.0
100.03954	1.5
100.07623	1.5
101.07123	4.8
102.05524	4.8
103.05447	1.9
111.04459	0.9
111.05602	1.5
113.07156	1.3
114.05529	13.0
116.07120	0.9
116.98604	2.1
118.05016	1.7
118.06513	5.9
119.04969	1.3
119.08505	0.8
120.08093	4.1
122.06052	1.2
122.07119	1.7
123.04414	1.5
126.05508	18.8
127.03969	1.4
129.10260	2.7
130.04990	100.0
133.06075	1.2
134.99696	1.2
135.04448	1.7
136.07564	5.4
137.05968	1.2
142.04977	9.6
143.00122	0.9
143.08170	2.1
145.02931	1.3
146.04460	4.5
147.04445	2.9
147.07632	59.0
148.04735	3.3
148.07935	0.9
152.78468	0.9
157.06067	2.1
158.04523	1.5
159.07651	16.9
163.03908	3.7
164.07022	2.3
165.05476	2.7
166.05899	1.3
171.07664	1.2
171.14935	4.8
172.06035	6.5
175.07101	5.2
182.08102	5.8
185.16472	2.9
189.08688	9.5
199.14395	3.4
210.07579	6.2
213.04291	0.9
213.16010	2.4
219.99033	0.8
227.10287	13.8
228.08687	1.2
229.11848	1.9
230.10248	1.2
237.02751	1.0
245.11351	2.5
263.12338	6.3
345.11322	1.7
345.22394	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	345.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
54.90829	0.6
55.05508	5.0
55.75838	0.6
56.05017	1.7
56.96556	1.1
57.03429	0.7
60.04517	0.7
67.05493	1.5
69.03425	1.8
69.07070	1.5
70.06584	5.2
71.58955	1.4
72.08153	62.4
73.02893	0.7
73.99123	0.6
74.06082	1.1
79.05480	1.2
79.38564	0.7
81.03423	3.6
81.07047	2.3
82.02936	0.7
82.06577	1.3
83.04976	1.2
84.04489	2.6
84.08147	6.7
85.02907	3.9
85.06551	1.0
86.09205	1.3
86.09702	18.3
87.05593	3.8
88.03986	1.2
91.05466	2.6
93.07054	1.1
95.04927	0.7
96.04494	1.1
96.08125	1.5
97.02876	2.1
98.02406	1.9
98.97537	0.8
101.00886	0.9
103.05479	0.8
104.07119	0.7
108.73621	0.7
109.02872	1.2
109.06524	1.5
110.07157	0.8
115.05060	0.9
115.08700	0.7
116.98632	0.7
118.08617	0.8
119.01881	3.6
119.04947	1.3
120.08116	1.1
122.07104	0.9
123.04481	0.7
124.07616	1.8
126.97485	0.6
127.00035	0.7
127.03941	1.3
127.08630	3.4
129.10223	5.9
130.04990	1.3
130.08585	0.7
131.01904	0.9
131.22356	0.6
131.91109	0.7
132.10214	1.9
136.07544	1.5
137.05968	6.2
137.07912	1.3
138.05461	0.9
138.09099	0.9
139.07443	0.8
141.10211	5.6
143.11794	2.4
145.03403	0.9
147.04417	3.0
148.04939	0.7
151.03835	0.9
152.07103	1.4
157.09694	1.8
158.08090	0.7
161.01201	0.7
161.02908	1.1
163.03871	0.7
165.05443	4.4
166.08672	1.0
167.07051	1.2
169.09755	3.3
169.13376	1.2
171.11368	0.9
173.02962	0.9
175.10770	1.4
183.03021	1.1
183.06516	1.5
183.09972	0.7
183.11377	0.8
184.04231	0.7
186.12379	11.8
187.00793	1.1
189.12361	2.1
191.07042	0.9
200.13911	1.7
201.12395	2.8
205.01942	0.8
214.11880	7.6
215.13979	0.7
221.99966	0.6
227.05157	0.8
228.13191	0.7
241.10545	1.3
259.11487	3.1
271.04141	3.0
277.11246	1.2
301.12558	17.0
313.10675	1.1
327.11343	0.8
327.20432	0.9
345.11523	100.0
345.14975	6.2
346.11865	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1158
Annotation	Clotrimazole
Peak:m/z	Relative Intensity
55.01891	0.6
55.05513	1.0
55.40089	0.6
56.96552	1.0
57.03423	0.8
60.04519	1.6
67.05518	0.6
69.03420	2.4
69.07056	0.8
70.06589	4.1
71.58633	1.0
72.08154	3.6
74.06072	0.8
79.05495	0.8
81.03408	1.8
81.07066	1.1
82.20991	0.5
83.04980	0.6
84.04503	2.2
84.08144	3.4
84.65198	0.7
85.02895	3.3
85.86681	0.7
86.09709	4.5
91.05468	1.9
93.07044	0.7
95.08595	0.8
96.04455	0.8
97.02885	1.6
98.97572	1.1
99.04380	0.9
101.00833	0.6
105.07053	0.7
107.04921	0.6
109.02898	0.9
116.07101	0.7
116.22813	0.6
116.98640	0.8
119.01920	5.3
119.08582	0.7
120.08120	1.5
123.04443	1.0
127.03899	1.4
129.10242	2.6
131.01976	1.4
134.99669	0.8
137.02956	1.3
137.05974	2.2
140.11855	0.6
145.03458	2.5
155.01912	2.0
161.01212	0.7
161.02907	1.3
165.05490	2.1
167.07030	1.8
173.02927	1.4
183.02957	1.3
183.06546	9.1
185.02916	0.8
187.00850	0.7
189.80038	0.6
201.12323	0.6
203.04015	0.9
216.53743	0.6
227.05147	0.8
237.02850	1.7
241.10533	0.8
259.11475	2.4
271.04224	1.5
277.11404	3.0
295.12366	1.9
299.15945	0.7
301.12561	15.7
345.11542	100.0
345.16959	9.7
346.11765	1.6
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
52.90284	3.7
53.01716	3.1
53.03934	6.1
54.19927	3.9
55.01867	4.2
55.05502	17.0
57.03433	9.1
57.07065	13.2
59.04999	9.0
67.05507	33.8
69.03423	11.8
69.07069	7.2
71.04992	25.6
71.59634	4.4
79.05481	27.8
81.03403	4.3
81.07054	30.5
83.05002	5.4
85.06520	3.7
91.05469	40.9
93.07038	70.2
95.04971	53.5
95.08600	96.5
95.09161	7.1
97.06534	17.8
105.07027	84.5
107.08589	60.5
109.06494	21.9
109.10184	4.8
117.07010	38.6
119.06095	4.0
119.08566	32.6
121.06497	15.1
121.10151	16.2
123.08061	29.3
128.06235	4.8
129.06979	5.1
130.07771	16.5
131.08568	12.4
133.06526	7.1
133.10127	16.8
135.08035	24.4
135.11690	19.1
142.07776	4.9
143.08553	12.8
145.10110	100.0
147.08040	14.1
147.11700	7.3
149.09627	8.1
151.07536	45.0
153.09074	5.9
157.10109	11.2
159.11676	11.2
161.09634	5.9
161.13261	5.0
163.11185	63.7
165.09117	17.1
167.08519	4.9
171.11617	5.3
173.13258	4.7
175.11179	6.4
175.70303	3.8
177.09155	6.7
189.12753	11.5
195.11618	3.7
199.11330	3.8
203.14352	11.1
207.13754	5.7
209.15393	6.1
221.15305	28.5
233.15350	5.1
263.16501	11.3
286.19339	5.6
289.35071	4.4
325.21588	10.4
343.18729	5.0
343.22607	79.6
343.26022	5.5
343.29825	4.2
344.23184	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	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	0.6
57.03456	0.6
57.08811	0.5
60.04521	1.6
61.02917	1.8
61.73628	0.5
65.03954	0.8
69.03425	4.5
69.07063	1.1
70.06579	2.5
70.83459	0.9
71.01330	0.5
71.04964	0.8
72.08150	1.5
81.03419	1.3
82.06570	1.4
83.63499	0.5
84.08137	1.5
85.02907	18.5
86.09697	4.0
87.10063	0.7
91.05473	6.2
95.05009	0.8
97.02885	4.1
99.04449	0.9
103.05499	0.6
109.02866	1.1
110.07186	1.3
116.07082	1.7
119.04938	19.4
123.04415	3.1
127.03925	3.0
129.10196	0.9
145.04974	3.5
147.04407	100.0
148.04773	1.5
165.05469	50.6
180.08719	1.7
182.08199	1.0
184.73535	0.6
201.12309	0.6
218.12250	0.6
344.13705	0.7
345.14810	0.6
355.20724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.58552	1.8
53.03942	2.8
55.01862	6.7
55.05304	1.7
55.05510	18.4
57.03434	9.9
57.07071	10.3
59.04980	7.0
59.20977	1.8
65.03922	3.5
67.05504	30.6
69.03429	12.0
69.07052	7.2
69.43922	4.6
69.44322	16.3
71.04706	1.8
71.04992	21.7
73.48207	1.7
79.05492	26.9
81.03409	4.5
81.07058	35.7
83.04953	7.0
83.08608	4.3
85.06561	4.5
91.04960	2.9
91.05485	39.2
91.06020	1.4
93.07042	77.7
95.04971	58.4
95.08606	94.3
97.06528	21.2
98.21529	3.9
103.05461	3.5
105.07028	89.5
107.04949	3.0
107.08594	60.5
109.06512	19.9
109.10147	5.7
113.69795	2.3
115.05439	8.8
117.07018	30.4
119.08584	31.4
121.06530	15.5
121.10155	18.6
121.70794	1.8
122.07329	3.0
123.08072	31.6
125.06002	2.8
128.06210	4.2
129.07033	4.8
130.07788	18.9
131.08603	12.8
132.96278	2.0
133.06496	8.8
133.10136	21.3
135.08057	31.4
135.11673	19.1
137.05888	2.3
137.09601	5.6
142.07753	4.2
143.08545	10.9
145.06483	3.7
145.10120	94.5
146.10359	2.7
147.08049	14.9
147.11664	4.4
149.09604	7.6
151.07545	55.7
151.08748	2.1
153.09102	3.1
155.08522	3.9
156.09352	3.6
157.10156	12.9
158.10800	2.6
159.08035	2.6
159.11682	7.8
161.09575	10.7
161.13182	2.5
163.11180	75.4
165.09114	21.7
167.08531	2.3
169.10071	4.8
171.11658	8.3
173.09641	5.3
173.13254	5.9
175.11154	7.2
177.09119	8.0
179.07117	3.1
179.08609	2.6
179.10872	1.9
181.10196	3.6
181.12119	2.1
183.11668	2.8
185.13187	2.2
187.11195	6.4
189.12747	14.5
191.14310	2.6
193.10194	3.8
195.11687	2.5
197.13300	5.4
199.11133	3.0
199.14807	2.4
201.12711	2.5
203.14268	9.6
207.10069	2.3
207.13831	5.7
209.13358	4.1
209.15189	3.8
215.14339	3.6
217.12256	3.5
221.13297	1.8
221.15341	33.8
221.17337	3.5
225.12683	3.1
233.15341	4.6
241.15834	3.3
245.15363	2.4
263.16400	7.3
269.15375	5.2
285.90170	2.4
286.19174	5.7
287.19781	2.9
325.21548	14.7
343.22656	100.0
344.22995	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	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03937	5.6
55.01858	7.1
55.05509	18.4
57.03425	9.8
57.07063	8.4
58.35307	1.6
59.04979	5.6
65.03930	3.1
67.05501	27.5
69.03429	16.0
69.04165	1.5
69.07055	8.7
69.58366	2.5
69.58779	9.9
71.04987	25.9
79.05488	29.5
81.03406	4.9
81.07053	34.3
83.04973	5.6
83.08603	3.2
85.06538	5.3
91.05473	40.8
93.07040	75.3
95.04964	67.9
95.08601	90.2
97.06530	20.4
98.20723	2.4
103.05431	2.3
105.07026	93.7
106.07322	2.6
107.04939	4.6
107.08589	60.1
107.09292	3.8
109.06525	18.9
109.10144	7.4
111.08072	3.3
113.09546	1.6
115.05460	7.3
116.06252	2.0
117.07016	37.1
119.04933	1.9
119.08569	33.3
121.06522	16.7
121.10133	20.8
123.08060	34.3
125.05985	3.2
128.06192	4.8
129.06976	8.6
130.07802	19.3
131.08597	10.9
133.06496	8.1
133.10133	17.2
135.08051	28.6
135.11684	16.9
137.05917	2.6
137.09613	6.6
141.06920	2.7
142.07791	3.3
143.08560	14.2
143.62733	1.8
144.09334	3.0
145.06407	2.4
145.10118	95.0
146.10640	1.9
147.08041	17.9
147.11674	7.2
149.09593	5.3
151.07542	56.3
153.09116	4.3
155.08554	4.6
156.09314	4.0
157.10162	11.8
159.08037	4.8
159.11661	9.4
161.09554	10.4
161.13249	3.9
163.11174	75.5
164.11601	1.6
165.07063	2.4
165.09106	23.5
167.07057	2.0
167.08583	2.5
169.10075	5.3
171.11652	6.6
173.09656	6.1
173.13298	4.5
175.11226	4.1
177.09103	9.4
179.07016	4.7
179.08623	2.7
181.12190	2.3
182.11009	1.8
183.11665	4.2
185.13303	2.3
187.11177	7.1
189.09129	3.6
189.12744	13.9
189.52757	1.7
191.10757	2.1
191.14207	3.2
195.11624	2.2
197.11674	1.9
197.13245	6.2
199.11116	1.9
201.12733	3.3
203.14308	13.3
207.10056	2.5
207.13765	9.6
209.13368	2.2
209.15338	6.0
211.14886	2.5
213.12799	3.6
215.14284	3.5
217.12277	4.4
221.15344	39.7
223.14871	2.7
225.12721	3.3
225.16364	2.1
227.14388	2.1
233.15425	3.4
243.13808	3.1
257.15540	2.5
259.47650	1.6
263.16367	9.7
269.15335	6.0
274.19250	2.9
286.19330	3.8
287.16467	1.8
287.20038	1.7
307.20511	2.5
325.21591	12.9
343.22662	100.0
344.23068	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	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
52.96590	1.4
53.03930	6.5
55.01866	8.1
55.05508	17.9
56.96549	2.8
57.03440	11.0
57.07073	11.7
59.04982	6.8
63.04988	1.6
65.03932	2.4
67.05505	33.5
69.03421	11.9
69.07059	9.0
70.56676	5.6
71.04992	20.8
79.05494	27.5
81.03405	2.2
81.07058	37.3
83.04959	7.1
83.08616	3.8
85.06519	4.7
91.05476	40.5
93.07045	79.5
95.04969	67.7
95.08605	96.9
96.44757	1.6
97.06530	16.4
103.05453	4.6
105.07029	95.9
107.04987	3.4
107.08593	63.7
108.07634	1.4
108.08905	1.9
109.06510	22.3
109.10163	3.9
110.67803	1.5
111.08055	3.0
115.05436	9.3
116.06219	2.0
117.07005	41.5
119.08574	31.9
121.06496	16.4
121.10140	21.0
122.07270	4.0
123.08061	33.6
123.11655	1.9
125.05930	2.2
127.06987	1.4
128.06232	4.3
129.06985	9.3
130.07776	20.3
131.08585	10.9
133.06522	9.7
133.10118	21.9
135.08054	26.1
135.11673	21.6
137.05977	2.8
137.09619	6.0
142.07784	4.1
143.08575	15.9
145.06433	2.6
145.10118	100.0
147.08040	20.8
147.11685	6.1
149.09618	8.7
151.07536	60.5
153.09120	5.2
155.08527	3.5
156.09291	3.7
157.10158	12.2
158.10851	2.1
159.08067	5.2
159.11702	13.5
161.09616	11.4
161.13248	4.0
163.11182	72.6
164.11441	2.4
165.09099	21.4
167.12350	1.5
169.10143	3.8
170.10847	1.6
171.11649	8.7
173.09627	7.3
173.13290	4.1
174.10371	2.3
175.11172	8.5
175.14871	1.7
177.09119	5.0
179.07147	3.3
179.10651	2.0
181.10168	2.6
181.12224	4.3
183.11633	3.8
185.09480	2.9
185.13235	3.8
187.11166	5.8
187.14838	1.8
189.09113	2.0
189.12738	11.3
191.10646	3.2
191.14247	3.2
195.11649	2.5
197.13286	2.9
199.11133	4.2
199.14914	2.6
201.12778	3.1
203.14299	12.9
207.11855	3.2
207.13829	4.8
209.13342	3.2
209.15314	4.7
213.12697	3.4
215.14273	5.2
217.12230	3.8
221.15364	37.8
223.14894	1.8
225.12708	1.9
225.16571	2.5
227.14349	2.1
230.13031	1.8
231.14014	1.7
233.15369	4.1
241.15869	2.4
243.13809	1.9
263.16412	7.3
269.15305	2.3
286.19208	6.0
307.20340	2.7
325.21619	13.4
343.22665	97.2
344.23047	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	343.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	16.4
56.96562	9.5
58.03776	5.1
58.42112	4.8
67.05494	41.0
69.03403	9.0
69.07063	22.2
70.06575	8.5
70.74086	11.7
70.74425	5.7
79.05486	21.4
81.03420	9.5
81.07053	100.0
83.04974	10.3
83.08620	10.1
84.08109	6.3
85.02893	10.1
91.05459	44.2
93.07057	23.1
95.04987	7.6
95.08594	34.6
97.02909	5.4
97.06519	13.5
98.97549	7.0
105.07012	51.9
107.04946	11.4
107.08600	28.3
109.10164	12.1
116.98593	10.0
119.08578	34.8
121.10147	24.4
123.04420	15.5
123.08096	6.2
123.11715	22.0
126.05456	5.1
129.07088	6.0
131.08615	8.0
134.99690	9.4
135.11688	5.6
137.05988	15.8
137.13312	8.6
145.10146	5.3
147.11687	77.8
149.05991	9.9
149.09584	5.5
157.10172	7.8
161.06061	5.4
163.07539	14.8
165.12749	59.9
167.07034	5.5
171.11870	4.8
175.07465	5.1
177.00562	5.7
182.24547	4.6
193.12407	4.8
212.41504	6.0
219.11409	5.2
229.14354	9.3
237.02841	9.1
282.08701	7.6
283.09665	11.6
297.16791	13.7
300.09952	5.9
325.16345	17.2
343.04446	16.6
343.11542	25.7
343.19504	11.2
343.26105	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01867	1.8
55.05508	22.0
56.05021	3.0
56.96548	3.7
57.03426	3.0
57.07063	1.7
58.47552	1.4
60.51239	1.4
65.03912	2.1
67.05502	20.9
69.03426	3.0
69.07071	21.0
70.06587	3.2
71.04987	3.8
71.59895	3.5
71.60284	2.4
75.51214	1.4
79.05470	9.8
81.03417	2.1
81.07056	48.7
83.04980	3.1
83.06073	2.9
83.08622	20.7
84.04504	61.5
84.08128	2.0
85.02896	6.7
85.06538	4.0
90.82603	1.6
91.05455	13.2
93.07037	15.1
95.04951	4.9
95.08604	55.7
96.04475	5.4
97.02834	2.5
97.06528	6.3
97.10151	6.3
98.06062	3.0
98.97603	2.6
99.08039	2.6
102.05527	5.4
103.05476	1.4
103.58767	1.5
105.07033	12.2
107.04948	6.8
107.08591	8.4
109.02869	1.8
109.06507	3.3
109.10155	8.9
111.08100	2.5
115.05441	2.2
116.98640	2.0
117.06994	3.3
119.08585	15.7
121.06517	2.4
121.10148	6.5
123.04412	3.2
123.08029	5.1
123.11763	1.8
125.09611	2.0
125.69174	1.6
127.03909	1.8
127.07594	2.2
130.05003	31.3
133.10127	10.8
135.11687	9.6
137.05969	3.5
137.09607	2.5
137.13280	8.7
141.09009	1.8
145.10124	2.3
147.08018	2.0
161.05910	1.7
161.13258	25.7
163.07536	2.6
163.11165	1.7
163.14700	1.6
167.06998	2.3
169.10075	1.8
175.07600	1.9
179.07051	1.8
179.14346	8.8
185.53693	1.8
191.06955	2.1
196.17018	7.8
214.18011	100.0
215.18414	2.8
221.05968	2.1
236.08264	1.6
251.06906	1.9
262.18103	14.3
268.07004	2.1
279.20755	5.9
280.19095	28.5
281.19122	1.5
282.08804	2.4
304.09708	2.9
308.18423	3.4
325.21213	14.2
326.19583	52.8
328.09418	1.9
343.11841	10.2
343.22318	50.1
344.22479	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
54.03463	1.1
55.01863	1.6
55.05518	4.4
56.96551	2.8
57.03437	1.5
58.01634	1.1
58.06580	1.9
60.04518	1.5
65.03947	2.2
67.04246	13.3
68.05037	3.4
69.03426	15.0
70.06593	10.0
71.19852	2.8
72.04525	8.1
72.08147	5.6
72.73090	1.5
73.02917	4.0
74.02448	20.3
79.05511	3.0
80.05019	4.6
81.03420	30.9
81.07021	1.6
82.02946	4.8
82.03720	1.7
82.06579	100.0
83.01357	2.6
83.04978	8.8
84.04499	7.0
84.08143	15.9
85.02906	4.7
86.06081	1.7
86.09720	2.7
88.03982	4.0
91.05477	4.0
93.05788	3.5
93.07024	3.0
94.06577	3.4
95.04966	2.5
95.08617	1.7
96.04496	4.9
97.02893	1.8
98.06065	3.0
98.97596	1.6
99.04473	18.8
99.05554	7.1
100.03983	13.1
100.07613	13.9
102.05585	3.0
103.05490	1.4
105.07050	3.5
106.06564	3.6
107.08630	2.1
108.02588	1.2
108.08121	3.4
110.06058	4.8
114.05513	11.4
115.05444	2.1
116.07106	3.3
117.06988	3.7
118.05022	13.2
119.07306	3.5
120.08101	18.7
124.07620	1.8
129.10245	10.8
130.05008	7.6
132.08098	2.2
133.06523	3.0
134.09645	3.8
135.04440	2.3
135.08049	2.5
136.07607	6.4
138.09126	2.3
140.07077	2.2
142.04932	6.6
144.08070	2.8
145.06146	2.8
146.04478	61.0
150.07848	1.9
150.09140	5.7
151.07510	7.6
151.08661	1.4
152.05722	2.7
154.08640	4.6
156.06604	2.2
159.07681	4.2
162.09166	9.0
163.03908	11.0
163.07275	3.7
164.07062	4.3
166.07253	3.7
167.05775	1.3
168.10217	4.1
169.09926	1.4
180.10219	5.4
181.09769	9.4
182.08119	23.1
188.05510	2.5
198.07674	1.7
198.11200	3.1
199.10852	2.1
205.08163	1.4
210.07626	2.4
220.09781	1.6
226.07196	8.1
227.10271	4.2
228.08643	28.0
228.10638	2.1
228.17046	3.0
244.08191	2.0
245.11302	11.6
254.07153	1.5
265.11865	3.5
274.36868	1.4
276.55960	1.5
289.11722	1.5
295.12891	13.2
307.12897	5.1
313.13992	5.1
325.13962	6.4
343.11551	1.5
343.15109	10.4
346.01416	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
54.03466	3.0
55.05500	6.6
56.96555	6.8
57.63108	1.4
58.06599	2.0
60.04528	2.0
63.67065	1.5
65.03928	4.2
67.04243	11.9
67.05494	4.6
68.05021	4.6
69.03423	27.6
70.06589	11.3
70.16926	1.5
70.29884	5.6
72.04513	12.0
72.08162	4.7
73.02916	3.1
74.02431	29.8
79.05486	3.7
79.38268	1.4
80.05009	4.6
81.03413	32.4
82.02941	6.1
82.06575	100.0
83.01340	5.5
83.04974	11.1
83.06097	2.1
83.06889	2.1
84.04494	6.9
84.08130	12.8
85.02898	3.1
86.06064	4.3
86.09702	4.4
87.05621	2.1
88.03984	4.3
89.03934	2.3
91.05472	3.5
93.05769	2.3
93.07072	2.9
94.06576	5.1
95.04958	2.6
96.04501	9.0
97.02866	2.1
98.06049	4.4
99.04452	20.1
99.05540	9.5
100.03973	19.3
100.07604	15.6
101.02376	2.8
102.05538	6.1
103.05453	1.6
105.07028	4.6
106.06568	4.5
108.08089	3.8
109.02873	1.7
110.06020	4.6
110.07150	1.9
112.07568	1.6
113.07114	3.0
114.05527	12.9
115.96682	1.6
116.07071	4.8
117.07035	3.1
118.05013	15.8
119.07283	2.5
120.08099	19.1
129.10251	9.7
130.05002	7.7
134.06131	1.7
134.09653	3.4
134.99652	1.9
135.04390	3.9
136.07584	8.0
137.85345	1.6
138.09113	4.4
142.05003	5.0
144.08090	4.3
146.04478	76.9
146.99678	1.7
150.07748	8.8
150.09132	6.9
151.07556	6.6
154.08643	6.1
156.06578	4.0
156.08003	1.4
159.07651	2.7
162.09146	8.0
163.03899	14.9
163.07364	2.3
163.08730	2.1
164.04233	1.8
164.07068	5.9
168.10202	3.9
180.10168	5.3
181.09708	15.3
182.08107	38.2
188.05632	2.3
197.16124	1.7
198.11108	2.6
199.10783	2.0
205.08209	2.4
210.07742	3.6
220.09718	1.8
226.07109	6.0
227.10257	5.2
228.08638	51.7
232.76286	1.8
239.07565	1.6
244.08160	2.2
245.11356	16.7
283.05951	1.6
295.12894	14.7
301.07129	2.6
307.12921	5.9
313.13879	5.8
325.13928	2.5
343.15036	10.5
344.07529	3.5
347.47040	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
54.76275	1.8
55.05497	5.7
56.05029	3.8
56.96560	5.1
57.03430	2.7
65.03928	3.9
67.04243	7.1
67.05490	3.7
68.05038	4.3
69.03427	14.3
69.07059	5.4
70.06593	26.1
71.58779	4.0
72.04520	5.2
72.08139	6.5
73.02924	4.2
74.02441	12.4
77.00618	3.2
79.05479	7.0
80.05021	12.6
81.03417	51.5
82.02960	3.2
82.06579	100.0
83.01318	3.4
83.04971	18.9
83.06115	3.7
84.04498	9.2
84.08145	19.8
85.02900	6.1
86.06069	2.5
86.09692	6.6
88.03985	5.4
89.30702	1.8
91.05445	4.0
93.05807	10.1
94.06563	4.1
95.04971	5.3
95.08649	1.9
96.04478	4.4
96.08096	3.0
97.02884	4.5
98.06067	9.2
99.04459	18.7
99.05556	10.8
100.03972	7.0
100.07625	14.3
102.05524	4.9
105.06966	2.2
106.06550	7.6
107.04996	2.0
108.04481	3.4
108.08133	3.0
110.06039	8.6
110.07170	2.6
111.04456	1.9
114.05494	4.1
115.05404	2.3
116.07095	8.8
116.98526	2.3
118.05012	5.0
118.06526	2.4
120.08128	4.8
121.06496	2.2
123.04478	3.6
124.07607	4.8
126.05504	2.5
128.03453	3.1
128.07079	2.9
129.10257	16.1
130.04999	8.9
135.04416	5.2
136.07565	8.0
138.05489	2.5
145.06094	2.4
146.04475	31.8
147.04388	6.6
152.07022	2.5
154.05025	10.1
156.06563	5.5
161.01387	2.6
162.09100	3.4
163.03926	13.7
163.07120	12.4
164.07042	3.4
165.05424	2.7
168.10043	3.0
175.07205	3.8
180.06622	2.2
180.10213	5.3
181.04973	2.8
181.08868	13.8
182.08144	7.0
198.07584	9.1
198.11311	5.0
207.08070	4.0
210.07591	3.6
226.07072	20.0
227.10310	7.4
235.07668	3.3
243.09764	8.1
244.08189	15.0
297.12234	2.9
307.12518	2.9
325.14072	3.4
343.14893	7.3
344.13181	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	343.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
62.35448	0.6
69.03436	3.9
69.49535	0.6
71.58427	1.1
71.58778	0.7
80.04996	0.7
81.03406	3.9
82.99831	0.8
83.06098	0.8
83.82230	0.6
84.08137	0.8
85.02898	1.8
90.78136	0.6
96.67539	0.6
98.06047	0.6
99.04440	2.6
101.00890	2.3
104.01980	0.9
112.02475	4.2
114.41073	0.6
119.01911	7.4
120.01407	0.8
122.06010	1.2
127.03893	1.3
128.00226	0.8
128.75719	0.6
130.03500	15.7
132.01425	3.8
133.03470	1.2
134.02983	0.7
137.02951	3.7
139.03545	2.3
146.02966	1.8
146.04509	0.9
148.04559	2.7
150.02519	4.7
154.03485	1.4
154.94116	0.7
156.01373	11.7
156.02606	0.8
156.05032	0.6
157.03545	1.1
157.04582	27.0
164.03986	1.0
172.04388	0.6
172.95222	1.3
174.02480	100.0
175.02638	2.9
175.05649	19.8
176.05780	0.8
180.06255	1.0
181.04622	0.9
186.02492	1.0
191.06648	1.9
192.03531	22.1
193.03690	1.2
194.02879	0.8
197.04024	2.7
198.06055	1.2
199.05632	19.3
201.02472	0.9
203.05121	2.1
207.06148	2.1
209.07692	1.8
210.06152	0.9
212.04039	6.2
215.05302	0.7
217.06705	1.8
219.06096	1.6
225.07095	1.0
227.05119	10.1
230.01306	0.8
235.05632	1.5
237.07210	20.1
245.06187	53.4
246.06377	2.1
248.02493	0.9
249.15398	0.7
253.06607	3.2
255.08267	1.4
265.06729	3.2
268.07922	1.9
272.02524	0.8
283.07761	7.5
301.08990	3.7
326.08194	0.7
343.09912	1.1
344.09204	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	4.0
71.58620	4.2
84.85248	2.6
98.97587	8.6
116.98631	14.6
119.01900	5.3
134.99689	12.9
137.02954	2.8
143.04497	3.2
177.00932	15.4
178.01019	4.9
179.00742	5.5
200.02649	4.0
201.07167	4.1
216.98747	5.1
218.03603	4.8
219.02002	28.6
220.02066	6.2
221.01761	9.3
234.96774	2.5
234.99838	16.5
236.99532	8.3
238.67635	2.8
240.99109	3.1
258.99982	28.5
260.00113	3.0
260.04794	3.1
261.00183	4.1
261.03015	35.7
262.03116	3.9
264.99072	3.1
276.97565	9.2
277.01022	32.1
278.01050	6.8
279.00845	8.8
282.99902	45.2
283.06223	3.8
284.00189	6.2
284.99896	3.8
300.97620	11.5
301.00974	100.0
301.03864	4.3
302.01212	15.3
303.01010	12.6
304.01093	6.3
318.98557	26.0
319.02112	7.6
324.02524	3.7
325.01065	11.5
342.98392	4.1
343.02139	51.2
343.08377	6.2
344.02252	3.7
360.99695	9.8
361.03833	14.7
366.94943	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	343.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
68.04991	0.4
69.03430	4.1
69.45521	2.8
70.06575	1.3
72.08180	0.4
74.02437	0.6
80.05016	0.8
81.03412	6.3
82.03764	0.3
82.99894	1.0
83.04966	0.6
84.04503	6.2
84.08130	1.2
85.02903	0.9
86.00945	0.3
86.18408	0.3
94.01450	0.7
94.06562	0.3
97.00166	0.5
98.06075	0.7
99.04443	2.3
99.05560	0.5
101.00902	1.2
101.07150	0.6
102.05525	0.5
104.01968	0.7
110.07145	0.4
112.02467	4.5
114.05547	0.7
116.07126	0.6
119.01918	7.2
119.95890	0.3
122.02919	0.3
122.05997	1.5
124.07631	0.5
126.05494	0.3
126.83529	0.3
128.89003	0.3
129.10260	1.4
130.03499	13.9
130.04996	10.3
130.05946	0.7
131.03679	0.5
132.01424	5.1
134.03023	0.4
136.07590	0.7
137.02020	0.4
137.02948	2.7
139.02618	0.3
139.03485	1.5
144.09048	0.4
146.02968	1.6
146.04466	0.6
147.07640	5.1
148.04544	2.4
150.02460	4.5
154.03520	1.2
156.01395	14.2
156.05043	0.4
157.03491	1.4
157.04582	24.8
158.01186	0.4
158.04713	1.0
160.02773	0.3
160.04578	0.5
164.04126	0.7
164.05614	0.3
168.03522	0.3
172.04503	0.6
174.02480	100.0
175.02628	4.7
175.05649	16.1
176.05821	0.7
180.04939	0.5
180.06306	0.6
181.04655	0.4
182.06679	0.6
182.08151	0.4
184.04594	0.4
188.04004	0.3
191.06578	1.8
192.03532	18.0
192.04858	0.7
193.03651	0.5
194.02992	1.8
197.04051	2.0
198.05913	1.5
199.05627	18.9
200.05817	0.9
202.01962	0.4
203.05096	1.7
207.06160	2.1
209.07742	1.7
210.06056	1.0
210.07802	0.5
212.04024	4.5
213.04193	0.5
215.05235	0.5
217.06671	1.5
217.08536	0.3
219.06175	1.7
221.06161	0.4
225.07185	0.9
227.05112	10.1
227.10275	1.1
228.05319	0.6
230.05118	1.2
235.05632	1.2
237.07195	16.7
238.07426	0.8
245.06189	52.1
246.06407	2.8
253.06693	3.0
255.08405	1.6
263.07162	0.7
265.06714	2.8
268.07834	2.0
272.02493	0.6
283.07712	7.3
301.08859	5.4
302.08911	0.4
307.07697	0.6
343.06042	0.4
343.09885	0.7
343.15350	0.5
344.09055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.8
55.05259	3.5
55.05510	46.8
57.07072	47.2
58.80497	2.1
67.05515	17.7
69.07066	100.0
71.08633	37.9
79.05483	8.7
81.07056	51.3
83.04988	3.0
83.08623	78.7
85.06547	9.3
85.10167	18.5
86.94408	2.2
91.05471	6.7
93.07044	14.9
95.08040	4.8
95.08606	49.8
96.90583	2.4
97.06525	12.7
97.10168	53.9
98.20711	5.1
99.11761	3.5
101.06049	4.1
102.58271	2.2
105.07035	12.8
107.08579	20.9
109.06516	3.2
109.10152	28.8
111.08065	6.3
111.11722	29.8
114.40002	2.2
115.07550	9.2
119.08553	10.8
121.10121	19.1
122.43845	2.3
123.08064	6.1
123.11715	17.0
125.09655	5.6
125.13272	11.5
127.07571	7.3
129.09109	5.9
133.10161	13.3
135.11678	11.3
137.09613	4.2
137.13229	9.5
139.11157	5.2
139.14836	3.3
141.09171	3.8
147.11678	15.7
149.13242	10.8
150.06335	2.2
151.11174	9.2
151.14726	3.7
153.12715	4.8
155.10701	5.0
161.13266	15.9
163.14816	4.6
165.12756	12.2
165.16432	3.1
167.14238	4.0
169.12190	5.2
175.14815	7.4
179.14325	16.6
183.13852	4.4
189.16406	4.5
191.17926	2.7
193.15868	5.3
195.17419	3.4
197.15292	4.1
203.17914	4.8
205.19554	2.9
207.17357	2.7
209.19218	3.1
217.19557	4.0
221.18993	3.1
223.20555	3.2
231.21118	3.1
235.20421	2.6
263.27377	5.2
287.17206	2.2
287.27386	8.3
305.28323	7.8
341.26593	6.7
342.37302	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	342.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26406	1.5
57.03426	5.0
57.93505	1.5
61.02922	2.7
69.03420	6.5
70.06593	2.0
70.54704	4.9
71.04974	3.9
71.08621	6.0
73.06541	2.8
79.05511	1.5
81.03407	3.8
81.07056	12.9
82.06590	2.0
83.04987	3.4
84.08157	2.4
85.02910	14.1
85.06525	2.7
97.02900	4.7
99.04479	1.8
99.08088	21.0
99.43356	1.5
102.25189	1.4
109.06509	17.2
115.06988	1.6
117.09127	100.0
127.03950	3.3
127.07549	38.9
134.75742	1.8
144.14119	2.0
145.04936	2.4
146.04482	2.7
163.03915	3.1
163.09650	20.3
180.08659	5.2
180.12341	4.9
215.13373	1.5
301.61444	1.8
329.56595	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40759	1.6
52.85178	1.5
52.95977	1.5
57.03430	6.7
57.19337	1.5
63.30239	1.6
69.03431	6.7
69.76230	5.7
69.76659	5.6
70.06579	2.4
71.05002	2.1
71.08627	7.1
79.05521	2.6
81.07055	18.4
83.04981	3.0
85.02896	17.3
85.06541	2.1
91.03920	1.9
97.02885	6.3
99.08105	25.3
109.06508	18.2
117.09129	100.0
127.07557	44.6
132.85249	1.6
145.04967	2.8
145.16640	1.7
163.03827	2.1
163.09651	22.0
180.08699	3.9
260.90216	1.7
323.52066	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1932
Annotation	Lys His Gly
Peak:m/z	Relative Intensity
50.04477	0.3
53.99516	0.3
55.05496	1.7
56.96552	0.4
61.03488	0.4
67.05501	2.2
69.03413	0.7
69.07065	2.1
70.08223	1.8
71.04980	0.4
71.19912	0.4
76.53317	0.4
79.05492	2.1
81.07044	3.6
82.07375	0.4
83.08613	0.5
85.02888	0.8
85.06509	0.6
89.48589	0.4
89.74361	0.4
91.05466	1.2
93.07039	2.6
95.04939	0.7
95.08594	3.6
97.06542	0.7
97.10142	1.1
98.97565	0.7
105.07007	1.2
107.04964	1.1
107.08582	1.6
109.06517	0.4
109.10132	0.9
111.08052	0.9
113.84844	0.4
115.05405	0.7
119.08559	1.1
121.06511	0.8
121.10134	1.1
122.03644	0.5
123.04353	0.4
123.11663	1.7
129.06981	0.5
131.08478	0.4
133.06493	0.7
133.10092	0.6
135.11673	0.8
137.05974	7.2
137.13232	0.6
139.11119	0.6
145.10118	0.7
147.04329	0.4
147.11649	0.8
149.13251	1.0
151.03868	0.4
153.12714	0.5
157.10185	0.4
158.85118	0.4
159.07988	0.5
159.11703	0.5
161.05931	0.8
163.11234	0.4
165.12766	0.4
167.07045	1.1
175.07506	1.2
187.07503	1.7
217.08496	0.9
219.08121	0.5
231.08153	0.6
249.09052	0.5
257.77994	0.4
259.10745	0.4
265.08560	0.4
277.08609	0.5
291.10156	0.7
297.11215	0.6
305.24661	1.5
309.11288	1.0
323.25763	0.5
341.19315	100.0
342.19742	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	341.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01861	7.9
55.05505	41.9
57.03428	4.4
57.07070	4.0
59.04989	1.8
59.96980	1.5
65.03920	2.1
67.05502	22.0
68.99774	2.1
69.03421	36.9
69.07062	100.0
70.06573	2.5
71.04972	6.1
71.59358	1.9
72.70087	1.6
73.02895	1.6
79.05483	18.8
81.03408	30.5
81.07054	28.6
82.06545	4.4
83.04969	12.6
83.08613	23.5
84.08137	1.9
85.02895	15.0
85.06532	13.0
87.00793	3.9
91.05463	18.5
93.06467	2.2
93.07037	30.9
95.04961	10.9
95.08028	2.5
95.08594	23.1
97.02886	9.1
97.06528	10.8
97.10146	5.1
98.97570	1.6
99.04447	4.6
99.08084	2.7
100.07599	3.4
100.11246	35.3
101.05991	2.5
101.11580	2.3
103.03932	1.9
103.05469	3.8
105.07026	20.9
107.04939	11.1
107.08589	19.8
109.02859	6.2
109.06517	10.7
109.10143	15.7
110.06016	2.4
110.98659	1.5
111.04427	11.2
111.08071	75.5
111.11717	11.3
115.03871	3.0
115.05457	1.5
117.07021	5.8
118.12283	3.8
119.04935	3.1
119.08557	14.5
121.06487	9.1
121.10134	10.1
122.03651	2.7
123.04427	2.1
123.08037	5.5
123.11700	10.0
125.05972	1.6
125.09610	3.0
126.76257	1.7
127.03896	8.5
127.11181	2.4
128.06224	2.6
128.07083	6.5
129.05502	2.0
129.06966	5.5
131.04924	1.9
131.08549	13.7
133.06471	3.6
133.10123	12.5
135.08051	8.9
135.11717	4.4
137.05960	48.1
137.09555	3.7
137.13210	2.1
139.07524	12.9
139.11156	25.9
140.07021	1.4
141.11484	3.9
141.12645	1.5
143.08528	5.2
145.05025	2.3
145.06401	3.0
145.10107	6.3
147.08014	3.7
147.11655	5.7
149.05946	2.8
149.09630	16.8
149.13219	4.4
151.03860	1.7
151.07503	4.4
151.11163	7.7
153.12715	3.8
157.06496	2.1
159.08034	6.3
159.11655	5.7
161.05983	2.0
161.09622	6.5
161.13248	5.5
163.07491	2.7
163.11162	6.7
163.64272	1.7
165.12712	1.7
167.07050	4.4
167.10602	1.8
169.12257	4.2
171.02969	2.1
171.11729	1.9
173.09608	2.0
173.13261	5.0
174.06656	1.5
175.07541	6.1
175.11176	3.6
177.09039	3.5
177.12747	4.4
179.10663	10.7
182.15419	17.6
183.11664	1.8
183.15755	2.5
187.07515	6.9
190.07733	1.9
191.14284	3.4
201.12686	6.4
203.08601	2.1
207.13760	1.8
209.16505	4.5
210.14835	19.8
211.07513	2.6
211.15225	2.4
213.17841	3.4
213.66963	1.7
217.08580	2.3
219.07913	2.1
219.13770	20.8
220.09007	1.9
227.17537	8.9
227.66716	2.5
228.15938	3.0
231.04951	3.9
231.08112	4.6
237.09068	1.7
237.14809	15.9
249.08961	1.8
251.16272	2.2
271.09622	4.2
276.07767	1.9
277.08600	1.8
277.21964	7.5
277.71997	2.5
279.10001	1.6
281.11536	3.5
286.44165	1.7
287.16483	2.9
291.10110	6.0
305.17462	6.2
309.11246	1.8
311.12643	1.8
313.14459	1.6
314.25546	1.8
323.14719	10.3
323.18536	9.1
326.28070	2.9
341.09805	3.8
341.15689	13.0
341.19650	4.6
344.29028	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	341.1385
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
53.03944	1.5
55.01859	1.4
55.05511	4.7
56.96555	1.3
57.03434	0.9
67.05488	2.9
68.99798	0.6
69.03424	2.1
69.07069	8.5
70.06583	1.2
71.04987	1.6
71.59334	1.3
79.05496	5.9
81.03412	2.4
81.07056	11.7
83.04958	0.8
83.08610	1.6
85.02891	0.8
85.06547	1.6
91.05473	7.7
93.07050	4.1
94.04174	2.6
95.04960	2.5
95.08605	6.6
97.02922	0.8
97.06511	1.5
97.10139	1.7
98.97597	0.9
100.11250	1.9
103.05457	3.7
105.07034	8.1
106.38126	0.7
107.04931	3.2
107.08595	3.0
109.02924	0.8
109.06536	3.0
109.10172	3.4
111.04433	1.4
111.08081	2.4
111.11718	1.1
115.05441	3.5
117.07004	3.1
119.08589	4.7
121.06479	1.7
121.10133	2.8
122.03653	9.3
123.04414	2.1
123.11705	2.4
125.06019	1.1
125.09620	0.9
128.06227	2.9
129.07010	5.4
131.04979	4.2
131.08583	1.0
132.05679	3.3
133.02817	0.7
133.06471	4.5
133.10112	1.5
135.04422	1.4
135.11685	1.3
137.05977	100.0
137.13257	1.1
138.06314	1.3
139.11160	2.1
143.04950	1.5
144.05719	1.0
145.06502	1.9
145.10182	0.7
146.07234	0.7
147.04376	2.9
147.08029	5.9
147.11624	0.7
149.05980	2.7
149.13271	1.9
151.07510	1.9
153.12772	0.8
155.04872	0.8
156.05695	1.0
157.06505	1.8
157.12219	1.0
159.08060	2.4
160.05217	2.6
161.05978	11.1
162.06664	1.0
163.03906	0.8
163.07487	1.9
165.06999	1.1
167.07019	3.2
168.05748	0.7
172.05215	1.9
173.05956	1.4
174.06821	0.9
175.07545	40.2
175.89458	0.9
176.08043	0.7
177.05368	1.6
177.09082	1.5
179.07074	1.5
184.05251	1.1
185.05984	1.6
187.07535	12.1
189.07066	1.6
189.09087	2.9
190.07780	3.0
191.07013	1.4
191.08566	5.1
192.09157	0.9
199.07533	9.1
202.07773	4.8
203.08617	7.1
205.06551	1.7
206.07307	1.4
207.08131	1.6
208.08836	0.9
217.08647	1.8
218.07346	1.9
219.06163	1.2
219.08063	11.0
220.08784	3.0
221.09644	1.3
231.08069	6.9
232.08725	2.1
234.06816	1.7
235.07471	1.3
235.11180	0.8
236.08325	2.0
237.09196	1.0
247.07602	4.8
248.08273	4.1
249.09135	3.7
251.10675	13.0
253.08832	0.8
259.07660	3.9
260.08401	1.3
261.09155	1.0
263.07089	1.1
263.10748	3.2
264.07761	1.0
265.08618	1.9
266.09415	0.9
276.07773	2.3
277.08640	3.3
279.10138	8.5
280.07425	0.9
280.10846	1.9
281.08273	1.1
281.11783	2.0
291.10120	8.5
292.10977	3.0
295.13391	1.0
296.10507	1.3
305.24738	1.4
308.10544	0.7
309.11212	4.4
310.11768	1.2
311.12720	9.3
312.12817	0.8
313.10822	0.9
323.12744	6.7
323.25897	1.4
326.11130	1.1
341.06668	0.8
341.10107	2.5
341.13837	9.5
341.19623	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01871	4.4
55.05514	6.6
56.05038	3.8
56.96554	2.5
58.99586	5.2
61.01131	1.5
67.05494	2.9
68.05011	2.0
69.03406	0.9
69.07047	1.5
70.06607	0.7
71.29529	1.1
76.02229	0.8
76.03997	1.3
79.05492	20.5
80.05003	1.8
81.03416	1.9
81.07056	13.3
82.06579	3.6
83.04979	3.8
83.08587	1.1
84.04504	5.1
84.08135	0.6
85.01126	25.1
85.01647	1.2
85.02888	1.7
85.04018	1.3
85.91962	0.6
86.00649	10.4
86.99046	2.7
87.02682	1.9
88.02185	1.9
88.40602	0.7
89.19424	0.7
91.05470	2.4
92.01686	1.1
93.07038	4.3
94.06559	1.6
95.04958	2.5
95.08595	3.2
96.08133	4.0
97.01108	2.4
97.06546	0.6
97.08902	3.1
98.09089	1.1
98.09689	14.0
98.97566	0.8
99.02656	0.8
105.07016	4.4
107.04958	1.2
107.08598	1.3
108.08146	1.5
109.06527	0.8
109.08891	1.4
109.10129	1.7
110.09674	6.1
111.02634	0.8
112.03952	4.4
113.04225	36.5
115.02148	23.3
116.01671	13.9
116.02469	0.9
116.98625	0.9
117.06998	0.8
119.08576	0.8
121.06477	0.9
121.10139	1.6
122.09668	5.8
123.04385	0.9
123.10423	1.0
124.99559	0.6
126.83945	0.5
127.05762	0.7
129.07031	0.9
130.05005	15.1
131.04521	1.2
133.10088	0.9
135.11661	0.8
137.05984	8.8
139.05754	2.7
140.05261	0.8
143.02740	2.1
144.01111	2.8
156.08412	26.5
156.10188	17.5
157.08649	0.7
158.06323	0.9
161.05984	0.8
162.02177	6.3
175.07465	1.2
177.03270	3.2
187.07503	1.3
189.00648	0.8
189.03322	3.8
203.08571	0.7
225.43579	0.6
238.12553	1.8
242.08478	11.3
244.06381	2.1
248.08302	0.8
259.11105	100.0
260.11340	1.6
265.08173	0.7
266.09726	0.6
267.09109	0.6
285.10056	1.7
291.10190	0.6
303.11154	1.3
309.11044	1.3
323.14285	1.3
341.09897	0.7
341.15118	5.3
341.19351	19.7
359.13730	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56283	1.5
55.01873	2.7
55.05508	16.0
56.05833	1.7
56.96564	2.0
57.03417	1.7
57.07074	2.1
58.64311	1.9
65.03931	2.1
67.05494	6.5
69.03424	3.6
69.07047	5.0
70.06591	2.0
70.16846	7.4
71.04980	5.7
79.05508	7.9
81.03428	3.2
81.07059	13.1
82.06561	2.5
83.04978	3.6
83.08599	7.6
84.08127	2.7
85.06551	2.9
86.09697	2.0
91.05473	11.6
93.07030	8.6
94.04182	1.8
95.04961	4.8
95.08595	6.3
97.06517	3.4
98.20790	1.5
98.97574	2.5
99.08092	2.3
100.07680	1.7
100.11255	36.7
101.11565	8.3
104.13853	1.8
105.07038	8.8
107.04935	3.7
107.08595	3.9
108.08128	3.7
109.06509	3.2
109.10156	3.4
110.54710	1.6
111.04456	5.7
113.04260	1.8
115.05447	2.9
115.79703	1.6
116.01659	2.2
117.07006	2.1
117.13856	1.7
119.04928	1.6
119.08590	5.2
121.06471	3.0
121.10126	4.6
122.03623	4.9
123.04430	2.8
123.11685	2.3
128.07027	3.9
129.07005	10.6
131.04944	5.2
131.08591	2.2
133.02812	5.1
133.06473	3.1
133.10068	1.7
133.36804	1.9
137.05966	100.0
139.11098	1.8
141.11504	3.1
144.05690	4.4
145.02850	1.9
145.06456	2.1
145.10089	2.3
147.04407	3.7
147.08032	2.9
147.11720	2.4
149.05995	3.2
149.09563	2.2
149.13246	3.3
151.03891	2.6
151.07532	5.5
156.08345	1.7
157.06464	5.1
159.07973	2.2
160.05182	3.5
161.06044	8.0
163.07527	2.4
163.11185	4.2
165.05481	3.6
165.06894	1.7
166.08664	4.3
167.07043	5.2
172.05249	2.3
173.09550	1.7
174.06767	4.7
175.07527	26.0
177.05505	4.6
177.09038	2.6
178.07797	2.1
179.07112	3.2
182.15390	8.8
183.15723	4.0
185.05988	2.1
187.03989	2.2
187.07547	26.9
189.09149	9.2
190.07658	2.2
191.08551	5.3
191.10796	3.2
193.10123	2.2
196.05212	4.6
199.07564	4.7
203.08560	8.0
206.07275	2.1
208.08873	2.5
209.16457	4.1
210.14879	10.9
210.16727	3.3
211.07503	15.2
211.15160	3.5
213.05496	3.7
217.08563	10.1
219.08057	9.3
220.08846	6.6
221.09615	4.1
227.07056	4.3
227.17595	5.7
227.67619	4.8
228.07730	2.0
228.17952	2.0
231.08043	9.9
232.08647	3.2
235.07526	4.1
236.08246	1.9
237.09047	2.2
238.09650	2.4
239.06917	9.7
240.07724	8.7
241.08395	2.0
247.07541	5.4
248.08328	17.0
249.09071	5.3
251.10652	5.8
253.08607	2.0
255.06566	2.7
256.07275	6.1
259.07529	5.3
259.11102	4.1
261.09317	2.3
262.06036	1.8
263.07886	1.9
263.10669	15.3
264.07651	2.2
265.08517	4.8
266.09314	2.3
268.07425	2.3
270.08765	8.7
271.09634	25.0
276.07797	10.0
277.08575	4.5
277.22995	6.7
279.10159	8.1
280.11099	1.8
281.08145	1.8
281.11746	5.9
283.09674	5.1
291.10098	37.2
292.10623	3.0
293.08160	3.9
296.10373	4.0
297.11020	3.3
297.18048	2.3
305.24792	1.8
308.10352	7.7
309.11176	5.9
311.12579	8.4
313.14325	2.5
319.12360	2.7
323.12619	20.4
327.28052	2.0
341.10104	2.7
341.13977	24.4
343.30688	5.8
344.30908	5.2
345.07382	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
53.03936	0.8
55.05520	1.0
56.96552	0.9
57.07064	0.8
65.03948	1.0
67.05506	0.9
69.03415	1.2
69.07060	1.6
71.59855	0.8
71.60272	0.9
74.17752	0.8
79.05481	3.1
81.07037	2.4
85.02870	0.8
86.09689	1.7
91.05448	5.7
93.07051	2.4
94.04166	3.1
95.04972	1.7
95.08576	1.8
97.06477	0.8
97.10140	0.7
98.97569	0.9
103.05470	1.7
105.03407	0.7
105.07005	6.2
106.17400	0.8
107.04945	2.5
107.08600	0.9
109.06513	2.0
111.04432	0.9
115.05462	3.9
117.06991	2.1
119.04919	1.1
119.08556	3.4
121.06490	1.5
122.03648	8.5
123.01967	0.8
123.04429	0.7
128.06232	3.3
129.06955	4.3
130.06508	1.2
131.04915	3.6
131.08493	1.2
132.05710	4.0
133.02869	1.1
133.06477	3.5
135.04382	0.7
137.05968	100.0
138.06255	0.9
141.06976	1.3
145.06476	2.2
145.98085	0.8
147.04373	2.6
147.08076	6.0
149.05962	2.4
151.03900	0.9
151.07518	1.0
156.05580	1.0
157.06490	0.9
159.04434	2.1
159.07997	2.2
160.05202	3.2
161.05956	9.5
163.03918	1.0
163.07507	2.0
165.07033	1.1
167.07028	1.4
171.07965	1.5
172.05243	1.9
174.06818	1.1
175.07539	39.3
177.05432	1.2
177.09122	1.9
179.07103	1.2
184.05243	1.1
185.06059	1.0
187.03862	4.6
187.07526	12.2
189.05434	1.1
189.07127	0.9
189.09102	2.4
190.07756	3.2
191.08507	7.5
199.07515	9.7
202.07823	4.0
203.08549	7.0
205.06482	1.3
206.07198	1.9
207.08009	2.1
208.08801	1.5
211.07568	1.2
217.08614	2.2
218.07272	2.2
219.08028	10.1
220.08737	3.3
221.09683	1.3
223.07559	0.9
231.08037	7.4
232.08803	1.7
235.07507	1.6
236.08328	2.0
247.07530	4.7
248.08316	2.7
249.09039	2.2
251.10674	12.2
253.08702	1.2
255.00131	1.5
259.07550	3.8
260.08258	1.2
261.09192	1.0
263.10593	3.8
264.07938	1.3
265.08594	2.1
270.08981	1.1
271.09653	1.5
276.07745	2.0
277.08527	3.3
279.10175	10.5
280.10858	1.3
281.08093	1.5
281.11813	1.2
283.09805	1.0
291.10107	8.3
292.10938	3.8
293.08328	0.9
295.13223	1.2
309.11169	2.3
311.12735	10.3
323.09201	1.4
323.12610	5.7
341.09872	2.0
341.13852	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	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01865	1.5
55.05507	1.3
56.96565	1.1
59.70632	0.7
65.03931	0.8
67.05500	1.7
69.03439	1.0
70.48267	1.2
70.48621	2.3
71.04983	3.3
73.26120	0.9
79.05495	2.4
81.03403	1.2
81.07037	3.8
91.05459	4.0
93.07023	2.3
94.04176	2.9
95.04968	1.7
95.08585	1.8
103.05441	1.2
105.07018	2.3
107.04951	1.6
107.08598	1.5
107.71278	0.8
109.06520	2.5
109.10178	1.1
111.04428	1.5
113.01416	0.9
115.05444	2.4
117.07036	1.5
119.04955	2.3
119.08584	1.3
121.06496	0.8
121.10148	1.0
122.03629	9.3
124.95890	1.1
127.03903	1.1
128.06200	2.3
129.06975	6.5
131.04932	2.6
131.08600	1.2
133.02850	5.6
133.06476	1.2
137.05968	100.0
143.04962	1.2
143.08543	1.0
144.05710	2.6
145.06471	2.3
146.03578	0.8
147.04396	1.2
147.08064	0.8
149.05975	3.4
151.03868	2.3
151.07518	4.4
153.05438	1.2
157.06454	4.5
158.07228	1.6
159.08070	1.1
160.05188	3.6
161.05954	2.6
163.07513	2.3
165.05481	3.9
165.06863	1.0
167.07071	1.1
172.05200	3.5
173.05904	0.8
174.06741	6.0
175.07552	18.3
177.05469	5.7
177.09103	2.9
178.07837	1.5
179.06987	2.5
179.08495	1.0
187.07539	26.3
188.08197	0.9
189.07217	1.4
189.09088	8.9
190.07846	1.1
191.08577	2.3
193.10086	1.0
194.07288	1.0
196.05219	3.9
197.05946	2.8
199.07513	3.2
202.07796	3.0
203.08551	9.9
204.08839	0.8
205.06494	2.9
205.08630	1.9
206.07179	1.3
207.08015	1.1
211.07523	15.3
212.04715	1.4
212.08015	1.2
213.05431	2.9
217.08562	10.3
219.08087	6.4
220.08795	5.0
221.05981	1.2
221.09615	1.8
222.06729	1.0
225.05463	1.9
225.09373	1.1
227.06984	11.7
228.07802	2.9
231.08034	11.3
232.08766	2.9
233.05997	2.4
233.09615	1.5
234.06717	1.9
235.07510	1.6
236.08194	1.3
237.09079	3.3
239.07021	10.4
240.07779	11.9
241.04903	1.8
241.08533	1.5
247.07559	5.6
248.08327	18.7
249.09058	2.3
250.06268	1.2
251.06929	1.0
251.10645	2.8
253.08647	2.2
254.09444	1.5
255.06448	8.6
256.07227	6.8
259.07507	3.6
260.08347	1.3
261.09085	2.2
262.09680	1.1
263.07510	1.1
263.10648	14.8
264.07883	1.3
265.08459	4.0
268.07373	3.2
269.07910	1.1
270.08859	18.1
271.09644	29.0
271.12567	1.5
273.09564	0.9
276.07788	8.4
277.08633	5.5
277.11176	1.0
279.07178	1.0
279.10071	5.9
280.10703	0.9
281.08109	2.7
281.11194	1.5
282.08990	1.3
283.09653	10.0
285.11249	1.0
291.10138	40.6
292.10785	3.7
293.08060	4.6
295.09625	1.8
296.10342	4.5
297.11121	3.0
305.11530	1.0
307.09494	1.1
308.10394	5.8
309.11328	2.7
311.12695	7.9
313.14313	2.8
323.12732	29.2
341.09946	1.8
341.13824	20.5
341.19119	5.9
342.14319	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.4
57.07066	1.3
58.99858	3.7
62.98269	2.1
67.05494	2.7
68.05872	1.2
69.07051	5.9
71.59869	1.3
71.60248	2.2
77.00903	27.7
79.05488	6.5
81.07053	5.9
83.08614	2.1
91.05487	7.5
93.07048	10.5
93.43154	1.4
95.01946	21.5
95.04942	1.5
95.08608	5.3
97.10189	1.8
97.16485	1.3
100.02467	3.1
100.72353	1.2
105.07033	6.8
107.08559	3.5
109.10133	2.6
111.11742	1.5
117.07006	2.4
118.03477	1.9
119.01869	2.7
119.08572	7.7
121.10183	2.0
131.01942	11.0
131.08588	3.4
133.10120	2.5
145.10126	6.5
147.11665	2.8
149.02974	9.7
157.10043	1.3
159.05022	2.3
159.11673	2.1
171.05098	1.6
173.06589	2.9
173.13373	1.4
187.08124	3.3
191.07535	2.3
201.09709	1.9
203.07529	1.9
213.09558	1.6
215.11259	8.4
219.10709	2.5
229.12920	1.9
233.12314	4.2
241.12531	1.3
243.14383	4.5
247.11676	1.9
247.13939	2.4
261.13205	2.6
289.16617	1.6
297.17004	4.2
299.18549	30.0
315.18054	27.3
317.19611	100.0
318.19830	2.4
322.18381	1.9
328.05356	1.6
333.19153	4.5
335.20645	85.0
336.20874	3.6
338.19699	3.2
340.19672	20.2
341.21570	1.5
353.21609	3.7
358.22269	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	341.0866
Annotation	AESCULIN
Peak:m/z	Relative Intensity
53.03934	0.4
56.96572	0.3
57.03434	0.3
61.02922	0.6
61.49923	0.2
67.05517	0.4
69.03423	1.3
69.07036	0.2
70.06582	1.4
70.41909	0.8
71.05013	0.4
72.08139	0.6
74.02451	0.3
79.05489	0.5
81.03411	2.8
82.06559	0.7
83.04976	0.3
84.04489	0.8
84.08141	1.8
84.95965	0.2
85.02898	2.3
86.09682	0.6
89.03889	0.7
91.05409	0.5
94.06533	0.3
97.02883	1.0
98.09676	0.4
98.41006	0.2
99.04443	0.5
105.03341	0.4
105.06985	0.7
107.04912	0.4
109.02889	0.5
110.07154	0.4
112.07685	0.2
115.65754	0.2
117.03329	0.4
118.04939	0.2
123.04416	10.6
127.03912	0.3
129.10181	0.3
130.05032	0.4
131.04921	0.3
133.02852	8.8
134.99611	0.4
135.04410	2.0
137.05968	0.8
139.03851	0.3
142.08640	0.3
146.04477	0.7
147.04410	0.7
149.02286	0.6
151.03882	3.6
153.05489	0.4
159.64201	0.2
163.03883	1.2
176.05635	0.4
177.00696	0.3
179.03380	100.0
180.03654	1.3
195.05222	0.3
196.09698	0.5
207.07640	0.6
217.08777	0.3
294.05014	0.3
295.05643	0.3
295.09180	0.3
323.05939	0.3
323.12573	0.4
333.09970	0.3
341.08844	0.8
341.12482	0.7
341.24515	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58689	1.0
55.05506	2.2
55.22839	1.0
56.96556	2.4
67.05498	5.0
69.03417	1.2
69.07063	2.9
70.30267	4.6
79.05506	2.6
81.07043	5.1
83.08598	2.0
91.05472	6.0
93.07049	2.5
94.04173	3.7
95.04967	1.1
95.08580	3.6
103.05470	4.3
105.07024	6.9
106.38376	1.2
107.04942	2.6
109.06494	1.9
109.10148	2.3
115.05467	5.4
117.06959	1.3
119.04962	2.0
119.08568	3.5
121.10146	1.6
122.03635	6.7
127.54394	1.1
128.06213	3.3
129.06981	3.3
131.04941	5.7
131.08568	2.1
132.05721	4.2
133.02814	1.0
133.06482	4.8
133.10168	2.2
135.11729	1.7
137.05972	100.0
145.06483	2.5
145.10115	1.2
147.04420	3.2
147.08031	4.9
149.05992	2.7
157.06546	1.4
159.08098	1.8
160.05244	2.8
161.05969	9.9
161.09541	1.3
163.03871	1.2
163.07590	1.1
167.07030	2.1
174.06671	1.1
175.07542	35.4
177.09151	1.2
187.07571	9.8
189.07179	1.2
189.09006	1.6
190.07841	3.0
191.08542	8.1
199.07498	9.1
202.07797	3.5
203.08531	5.0
205.06531	1.9
208.08627	1.2
217.08504	2.2
218.07349	1.4
219.08028	7.9
220.08867	2.0
231.08026	6.6
236.08359	2.3
237.09032	6.3
247.07642	4.5
248.08218	2.5
249.09193	2.2
251.10622	9.1
252.58066	1.2
259.07559	3.8
260.08362	1.0
263.07669	1.1
263.10620	5.1
264.07907	1.3
276.07889	2.0
277.08493	3.3
279.10107	8.6
279.13303	2.1
291.10181	5.8
292.11176	2.6
295.13266	1.4
296.98218	1.2
308.06918	1.1
309.07639	1.2
309.11084	2.8
311.12701	8.9
323.12872	4.9
341.10089	1.3
341.13794	5.9
341.21066	1.2
341.27234	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2892
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03935	1.8
55.05509	38.5
57.03434	19.1
57.07072	15.8
62.76497	0.8
65.16282	0.7
67.05505	24.2
69.07064	45.1
71.04981	2.2
71.08627	6.6
71.60699	1.1
79.05484	12.7
79.05900	1.2
81.07053	25.2
83.04971	1.0
83.08616	32.7
85.06538	2.2
85.10181	3.5
91.05471	2.4
93.07036	14.2
95.04958	1.3
95.08601	25.4
97.06525	4.2
97.10168	15.9
99.08083	0.8
101.54961	0.7
105.07011	1.0
107.08585	9.4
109.10147	10.9
111.08070	3.1
111.11747	4.9
112.18642	0.7
113.09664	0.9
113.31014	0.7
121.10136	12.6
123.11727	4.8
125.09636	1.9
135.11665	9.1
137.13269	1.1
138.67081	0.8
138.99635	0.8
139.11214	1.8
149.13245	5.0
151.14766	1.3
153.12756	0.8
163.14854	2.5
165.16428	1.3
247.24228	3.7
254.54787	0.8
265.25208	3.1
265.67163	0.9
339.28934	100.0
340.29175	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	340.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.5
55.01867	7.1
57.03433	7.2
59.64336	1.7
61.02919	8.2
61.73986	1.7
69.03429	41.4
69.07064	2.3
70.06586	3.1
70.56316	7.8
71.04984	5.9
73.02908	7.7
81.03419	22.3
81.07033	1.7
84.04491	4.4
84.08136	2.6
85.02902	100.0
86.09705	11.6
87.00831	48.3
88.03928	1.8
91.03945	2.1
97.02888	35.3
98.97619	4.1
99.04455	11.0
105.01864	72.4
105.07021	2.6
108.04494	2.5
109.02870	27.5
110.07163	5.0
116.98637	2.2
117.01839	2.5
119.06799	1.8
120.08147	3.7
127.03914	77.1
129.01871	2.7
130.05017	2.3
134.20413	1.6
137.06027	3.4
145.02866	1.7
145.04955	30.6
146.99719	2.5
147.02895	3.1
159.02928	9.5
161.06003	2.7
177.05368	4.0
178.05823	6.0
189.03851	2.4
206.06857	2.0
213.03888	3.2
219.01814	2.5
231.05009	23.6
237.02756	3.5
249.06033	6.0
276.07431	1.9
292.48380	1.8
295.05585	2.8
340.08932	4.8
341.10098	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	340.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.7
55.01865	4.6
57.03436	6.7
59.93615	2.1
61.02927	6.7
69.03430	37.7
69.07059	4.5
69.76804	11.9
69.77231	4.2
70.06593	5.6
71.04987	5.5
73.02922	4.7
81.03419	22.0
81.07021	2.5
84.08147	2.7
85.02908	100.0
86.09708	15.2
87.00833	51.0
97.02889	30.1
97.58322	2.2
98.97570	2.6
99.04456	16.7
103.16483	2.2
105.01869	83.8
105.07063	5.4
108.04542	2.5
109.02882	26.3
110.07150	5.7
111.04465	2.3
113.29053	2.4
115.12927	2.4
116.53876	2.2
117.01887	3.0
118.08588	3.3
119.41418	2.4
120.08108	9.0
126.05492	2.8
127.03919	80.8
129.10303	2.5
133.06468	2.4
145.04971	32.5
147.02977	2.0
147.04375	11.5
148.04752	13.1
151.07623	2.0
159.02921	9.8
189.03922	3.9
196.09686	4.0
208.64436	2.4
220.03404	2.4
231.05038	24.5
249.06044	8.0
251.06644	2.5
340.08789	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	339.253
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03944	3.6
53.78423	2.3
55.01856	2.6
55.05507	18.2
56.96569	4.3
57.03434	6.9
57.07077	5.0
58.35511	2.0
65.00737	2.6
65.03911	3.2
67.05503	95.3
69.03424	3.2
69.07062	12.2
69.52576	18.3
71.04988	2.6
79.05492	43.6
81.03418	2.8
81.07054	100.0
82.07385	3.1
83.04984	2.6
83.08614	10.6
86.50969	2.6
87.77991	2.5
91.05464	23.3
93.07046	55.4
95.04972	4.9
95.08604	93.1
97.06548	4.5
97.10153	4.3
98.97589	8.2
105.07034	21.6
107.08592	42.7
108.60576	2.6
109.10146	56.1
115.05388	2.8
116.98631	11.1
117.07015	9.1
119.08551	14.9
121.10136	39.2
123.11718	17.4
125.09692	3.1
131.08534	16.5
133.10135	13.7
134.99664	14.6
135.11678	31.3
137.13249	4.0
139.11108	2.4
145.10110	18.6
147.11678	16.8
149.13222	20.8
151.11159	3.3
153.00729	2.6
159.11690	25.5
161.13318	4.0
163.14798	7.6
173.13229	14.1
187.14861	5.1
198.98825	5.6
201.16446	2.8
207.06647	3.1
219.21046	3.8
229.19548	22.0
247.20567	81.0
247.23149	4.1
256.96243	3.4
265.21573	3.7
267.60257	2.7
274.97467	22.9
283.16913	5.4
292.98557	21.4
297.99146	2.4
307.09369	2.9
316.00067	4.8
318.26196	2.4
321.24176	12.8
339.12567	3.7
339.25021	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	339.2679
Annotation	3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol
Peak:m/z	Relative Intensity
53.03933	2.7
54.70341	2.4
55.05504	12.9
56.96547	4.4
57.03426	2.4
57.07067	2.2
65.03925	2.3
65.13960	1.7
67.05225	2.0
67.05506	22.9
68.97541	1.9
69.03425	3.5
69.07058	23.9
71.04980	8.1
71.59381	2.6
79.05491	17.9
81.03407	7.5
81.07053	46.1
83.08612	5.6
85.02878	3.3
85.06535	21.9
91.05483	20.7
93.07047	27.7
95.04958	5.9
95.08602	62.7
97.06508	4.6
97.10177	9.2
98.97629	2.4
99.08125	3.1
105.07023	32.7
107.04928	4.0
107.08591	33.4
109.02877	6.3
109.06539	2.4
109.10143	29.0
111.08070	3.3
111.11687	2.2
113.09646	4.3
115.05444	2.3
116.98554	2.5
117.03378	5.1
117.07018	9.6
119.04926	4.0
119.08575	32.0
121.06417	2.7
121.10146	26.7
123.08025	3.6
123.11690	10.6
125.09601	2.8
128.06242	2.4
129.06992	8.2
131.08572	25.4
133.10121	21.9
135.04349	2.7
135.11681	16.6
137.05954	9.1
137.09625	16.4
137.13301	2.2
139.11205	4.6
141.29102	2.0
142.07718	2.1
143.08559	11.8
145.02818	10.3
145.10114	31.5
147.04401	2.5
147.08070	3.0
147.11667	19.1
149.05952	3.5
149.08539	2.1
149.09607	4.1
149.13246	5.7
149.75551	1.8
151.03952	3.8
151.11163	5.5
155.08545	7.1
156.09334	2.5
157.10136	12.8
159.11688	31.3
161.05951	3.3
161.13272	12.2
163.11200	5.2
163.14755	4.9
165.12756	2.4
169.10135	7.9
171.11638	12.5
173.13301	17.7
175.14825	7.9
177.05457	16.4
177.12697	2.1
179.14287	2.3
181.10214	2.1
183.11736	7.5
185.13260	14.9
187.14798	13.4
189.16318	10.0
191.08537	2.1
195.11681	3.3
197.13249	10.8
199.14806	13.0
201.12837	3.2
201.16345	41.6
203.14265	5.3
203.17929	3.5
208.08757	2.4
209.13310	3.8
211.14758	9.3
213.16359	13.7
215.14389	3.3
215.17903	16.1
218.07242	3.9
218.65041	2.0
219.08098	8.1
221.05914	2.4
223.14745	5.7
225.16389	7.6
227.17969	6.1
229.15900	3.4
236.08420	4.0
239.17926	5.9
241.19415	4.5
243.17578	3.2
246.06746	3.1
247.07576	7.2
248.08319	2.5
249.05627	2.9
251.18018	3.0
253.19580	3.1
255.17487	2.2
255.21106	7.3
263.07028	3.0
264.07800	5.1
265.19611	6.1
269.22437	2.4
274.97385	2.8
275.07056	3.8
279.10199	10.8
279.20932	3.8
281.22653	4.4
283.20596	4.1
289.08563	2.8
292.06827	2.9
295.24286	6.0
297.25873	2.2
307.09644	17.6
311.12827	3.1
321.10568	2.0
321.25809	29.8
339.08524	2.0
339.12268	23.5
339.26822	100.0
339.30350	6.1
340.12482	4.2
340.27209	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	339.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.9
55.05506	20.7
55.17870	2.7
56.96563	4.0
57.03430	7.0
57.07061	8.8
65.02043	2.4
65.85157	3.0
67.05505	96.2
68.05834	3.6
69.03439	4.6
69.07062	17.7
69.88976	15.9
70.06960	2.5
71.05001	4.5
79.05490	48.0
81.07053	98.3
82.07377	4.5
83.04961	2.6
83.08619	11.0
85.06522	3.6
91.05483	29.1
93.07036	68.2
93.84594	2.9
95.04945	3.4
95.08601	90.0
97.10140	6.4
98.97571	8.5
99.08089	3.6
105.07014	23.3
107.08588	45.1
109.10147	55.7
116.98618	10.9
117.07005	12.4
119.08572	20.8
121.10139	41.7
123.08086	4.9
123.11717	20.6
131.08582	20.0
133.10107	17.3
134.99617	10.2
135.11708	35.8
137.13174	4.9
145.10118	23.2
147.11685	12.9
149.01219	3.4
149.13249	21.3
159.11667	18.7
161.13300	6.0
163.14813	9.3
173.13246	17.3
180.98059	2.9
187.14775	5.0
219.21046	6.9
229.19527	31.7
230.19827	3.6
247.20570	100.0
247.23103	5.4
265.21545	4.6
274.97443	17.4
292.98447	14.5
297.98917	3.2
316.00269	3.3
317.19556	10.8
321.24338	7.7
321.28769	4.3
335.20682	7.9
339.19116	16.8
339.24753	15.1
339.30496	4.9
340.16284	5.0
340.25650	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	339.2529
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
55.05508	15.5
56.56209	1.3
57.03431	9.1
57.07063	5.1
65.03929	3.6
67.05502	100.0
69.07067	15.4
69.51006	13.2
71.04979	2.7
75.04475	1.9
78.22646	1.3
79.05060	2.7
79.05492	44.9
79.05954	2.6
81.07053	99.0
82.07391	1.7
83.08619	7.0
85.06519	3.5
91.05466	21.6
93.07041	59.7
94.07371	1.7
95.04949	4.6
95.08604	88.1
96.92201	1.3
97.06483	3.1
97.10181	3.4
98.97601	3.1
99.08095	2.5
105.07030	23.4
107.07859	2.4
107.08589	46.7
109.06486	2.1
109.10150	52.7
116.98624	3.0
117.07018	11.2
119.08578	18.6
121.10136	42.2
121.17475	1.8
121.97089	1.3
123.08067	2.0
123.11706	20.4
125.09567	3.0
131.08568	18.9
133.10124	18.7
134.99686	1.8
135.11694	30.0
135.92494	1.6
137.09570	3.0
137.13234	5.1
139.11172	2.2
145.10107	22.1
147.11685	14.8
149.13249	21.8
151.11185	1.8
151.14833	1.6
153.12764	1.6
159.11684	23.4
161.13242	4.6
163.11195	1.6
163.14822	8.2
165.12801	1.9
173.13243	13.2
177.12697	2.6
187.14787	3.9
195.13814	1.7
203.18182	1.7
209.15367	1.6
219.21062	6.3
220.94881	1.4
229.19533	26.7
247.20564	93.2
248.20889	5.6
249.22064	1.8
265.21637	8.3
268.32498	1.4
274.97446	4.5
292.98648	3.8
303.22977	2.3
321.24149	11.6
339.25226	22.2
339.28802	2.2
345.14764	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2529
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
51.54755	0.6
53.03939	2.5
55.01881	1.2
55.05511	52.0
55.94404	0.6
56.05840	1.0
56.96546	1.2
57.03432	2.8
57.07091	3.3
59.05008	0.8
67.05504	10.9
69.03438	4.9
69.07069	21.8
69.53213	4.3
69.53635	1.2
71.05001	1.5
79.05502	4.8
81.03420	5.8
81.07055	22.9
83.04942	1.1
83.08625	5.9
85.02905	2.8
85.06533	4.4
89.03919	2.2
91.05470	4.9
93.07044	11.7
95.04951	3.3
95.08608	35.7
97.06536	4.1
97.10171	100.0
98.10504	1.1
98.21529	1.2
98.97578	1.0
99.04472	1.3
99.08092	1.5
100.11251	0.8
101.06031	2.0
103.05471	0.8
105.07036	8.7
107.04987	1.6
107.08606	11.6
109.02883	2.4
109.06508	1.7
109.10158	12.6
111.04462	0.9
111.08084	3.1
111.11739	2.1
115.05420	1.0
116.98601	0.8
117.03358	4.7
119.04941	0.7
119.08585	7.4
120.08165	0.8
121.06499	2.1
121.10165	7.4
123.08096	2.9
123.11716	7.9
125.09628	17.0
127.03944	1.5
129.07008	0.8
131.08568	1.8
133.06482	1.2
133.10139	4.6
135.08064	1.3
135.11691	6.6
137.05977	1.7
137.09630	2.8
137.13274	2.8
139.11177	5.4
141.09055	1.4
143.10674	39.8
145.02843	14.2
145.10144	1.9
147.04431	1.0
147.11685	4.1
149.05984	2.3
149.13231	4.4
151.07603	1.2
151.11148	1.7
151.14824	3.9
155.10608	0.8
157.10252	0.7
157.12274	2.8
159.11713	3.6
161.06059	0.9
161.13191	4.9
163.11241	1.7
163.14824	1.4
165.07091	0.8
165.12805	2.7
167.07092	1.6
167.14273	3.7
171.10150	2.6
171.11598	0.8
173.13258	1.5
175.14835	1.6
177.05473	26.8
177.12791	2.4
178.05820	1.1
179.14359	4.2
186.06860	0.9
187.14871	2.3
189.11206	9.1
189.12738	1.2
189.16524	1.2
191.08533	0.8
195.13898	2.7
201.16428	1.5
205.06523	1.4
205.15851	1.5
207.06419	1.4
209.15460	1.1
215.18053	0.7
218.07275	1.5
219.08151	2.6
219.17502	0.8
220.08870	0.9
223.16963	1.2
229.08583	1.0
233.06030	0.8
235.07611	1.7
236.08316	1.3
247.07584	2.5
249.05545	0.9
251.10802	1.7
261.09012	0.8
263.07031	1.2
264.07773	2.4
265.08386	1.0
275.07062	1.2
275.23749	2.6
277.08768	1.2
277.21722	0.9
279.07117	0.8
279.10104	3.4
281.08206	1.2
285.22137	0.6
292.07272	1.6
293.24869	2.1
303.23187	9.8
307.06384	1.2
307.09583	4.8
308.50507	0.7
309.24347	1.4
311.12851	2.6
321.09601	3.4
321.24228	41.9
322.24637	1.9
339.08643	2.8
339.12329	7.2
339.17899	0.8
339.25192	5.7
340.12662	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1225
Annotation	Terphenyllin
Peak:m/z	Relative Intensity
55.01855	5.1
55.05504	2.0
56.96555	2.5
58.32689	1.3
58.74989	1.3
61.02907	1.8
62.43110	1.3
65.03938	1.8
67.05489	3.1
67.05824	1.5
69.07053	3.0
69.38713	3.6
69.39122	9.7
79.05475	6.1
81.03386	3.3
81.07036	5.1
83.08582	2.3
85.02898	1.6
91.05471	5.1
93.07015	4.0
94.04118	1.9
95.04941	1.8
95.08601	3.9
97.06519	1.4
98.21444	2.7
98.97562	4.8
103.05453	4.9
105.03378	2.1
105.07038	7.8
107.04929	4.1
107.72012	1.4
109.06497	4.8
115.05428	3.1
116.98599	6.2
117.03362	1.7
119.04898	2.0
119.08547	1.6
120.88334	1.6
121.06454	1.6
121.72980	1.3
122.03673	4.3
129.07024	2.7
131.04887	4.5
131.08604	1.8
133.06477	6.6
134.99623	6.2
135.11679	1.4
137.05957	23.5
144.05695	2.2
145.02879	2.4
146.03630	7.4
147.04414	4.8
149.05983	3.8
151.03928	2.4
155.04915	7.6
161.05975	36.0
162.06706	2.7
163.07552	4.2
165.05455	18.7
165.06955	4.7
167.08482	1.7
172.05145	2.5
175.07520	1.5
177.05475	8.5
178.07748	3.5
179.06805	1.4
179.08513	3.9
183.04404	2.6
187.07501	4.5
189.06946	6.3
190.07729	9.5
191.08519	14.3
193.06526	2.1
194.07323	1.8
195.08131	2.2
197.67697	1.6
198.98911	2.5
200.04655	1.9
201.07014	2.5
202.07726	5.4
203.08551	2.9
205.06435	2.9
207.08113	9.5
208.08798	6.8
215.06938	11.8
218.07281	15.5
219.08026	29.1
220.08769	5.6
221.05960	8.2
222.06793	2.2
222.42841	1.7
223.07368	2.2
224.08009	1.7
229.06482	5.5
231.08035	4.1
233.09613	4.7
234.06749	4.9
235.07516	17.0
236.08284	11.3
237.05437	2.5
237.08961	2.5
246.06766	9.4
247.07494	27.1
248.08179	8.9
249.05429	3.7
249.09071	3.4
250.09871	1.9
251.10634	5.7
253.08328	1.8
257.05853	8.7
258.06589	1.8
259.07520	8.2
261.09082	10.6
263.07047	11.0
264.07791	15.5
265.08521	4.0
274.06274	9.4
274.97440	7.3
275.06924	10.3
276.07803	5.2
277.08508	4.7
278.09195	4.2
279.10175	19.8
281.08124	2.4
289.08572	17.9
291.06555	3.1
292.07385	2.5
292.98492	6.6
295.09689	8.3
296.10239	2.3
306.08792	2.6
307.09625	100.0
308.10004	5.0
309.07230	1.7
311.12811	3.8
321.11234	9.4
324.09949	1.9
339.12219	55.0
340.12579	2.4
343.72858	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
56.05027	1.6
56.96561	1.4
69.70707	7.7
70.06590	2.5
72.08136	1.4
74.02443	1.2
76.62199	1.1
81.03433	1.4
84.08144	2.0
86.09700	2.0
91.05482	12.8
95.04973	1.7
98.97564	2.2
107.04979	1.3
116.98646	1.5
117.03397	1.8
119.04933	28.6
120.08071	1.2
122.21910	1.2
123.04444	2.6
136.07562	2.2
145.02922	1.3
147.04405	100.0
148.04781	1.4
152.07095	1.7
163.03914	4.4
164.07147	1.5
165.05539	1.3
177.05420	2.3
205.06532	1.6
219.01653	2.2
237.02774	2.5
311.01172	1.2
329.87991	1.3
339.08627	5.0
344.04471	1.2
357.08408	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
56.96572	1.0
61.88420	0.8
65.03931	3.8
67.05492	1.4
69.03429	5.4
69.75434	5.8
70.06569	2.5
70.80428	0.9
71.04984	1.6
72.08160	1.2
79.05485	1.7
81.03415	4.8
81.07061	1.9
82.06561	1.3
84.08138	2.4
85.02905	3.9
86.09708	1.0
89.03922	2.3
91.05476	100.0
93.07018	2.1
95.04930	1.5
97.02899	5.1
97.06535	1.0
98.97598	1.2
103.05479	1.4
105.03373	1.0
105.07025	2.9
107.04960	1.2
107.08611	1.1
109.02860	2.0
109.06513	1.2
110.07144	1.4
115.36546	0.8
116.98626	0.9
117.03361	5.3
118.04145	1.1
119.04941	13.8
120.08077	1.2
124.40023	0.9
127.03933	1.9
129.10170	0.9
133.10057	1.1
134.99574	1.6
137.05968	2.6
143.08511	1.2
145.02831	12.9
147.04404	39.4
149.05988	2.1
159.08035	1.8
161.06007	1.9
175.03880	5.8
175.07495	1.0
177.05466	22.4
177.06940	1.2
193.04965	1.2
204.05757	1.3
204.33130	0.9
205.06494	4.6
207.06503	11.9
219.08244	1.9
221.06058	1.4
222.06909	1.0
233.05998	2.6
234.06955	1.1
236.04527	1.4
247.07382	1.4
249.05527	1.2
250.06200	2.5
251.07042	1.3
253.05011	1.2
258.09061	1.0
265.05084	1.5
265.08627	1.9
270.56064	0.9
278.05658	2.3
279.06458	3.3
279.10025	1.1
281.04437	2.0
289.08905	0.9
289.12271	0.9
293.08121	0.9
307.05945	1.5
307.09552	1.8
311.09436	1.1
321.09769	2.7
324.06116	1.3
339.08392	19.2
339.18863	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
50.27716	0.1
51.07756	0.2
51.45885	0.1
53.03947	1.1
53.04150	0.2
55.01862	0.6
55.05503	0.5
55.16305	0.1
57.03440	0.9
57.53044	0.1
58.81815	0.1
60.90029	0.1
61.02926	0.2
65.03935	3.3
67.05492	0.4
68.99788	0.5
69.03421	4.8
70.06575	0.4
70.85522	0.3
70.85871	0.2
71.01326	0.2
71.04997	1.2
73.02914	0.2
75.25141	0.1
79.05481	0.8
79.26192	0.2
81.03413	9.2
81.07048	0.3
82.03757	0.2
83.04980	0.7
84.08148	0.3
85.02900	3.5
86.09696	0.2
87.00826	1.4
89.03910	0.5
90.23933	0.2
91.05474	100.0
92.05803	0.6
93.07042	0.2
95.04964	0.6
95.08630	0.3
97.02886	1.5
99.04449	2.1
103.05471	0.2
105.01879	0.3
105.07036	0.9
107.04944	0.7
107.08578	0.3
109.02870	6.0
109.06522	0.1
109.10109	0.2
111.04426	0.8
115.03906	0.2
115.05440	0.4
117.03370	1.3
117.07008	0.5
119.04961	0.8
120.08098	0.3
121.02872	0.4
121.10184	0.3
122.06073	0.2
123.04401	0.4
125.02339	0.4
127.03908	8.1
128.06198	0.3
129.01852	0.2
129.05469	0.4
129.06987	0.4
129.10246	0.2
131.04959	0.2
131.08565	0.4
133.06514	0.3
133.10143	0.4
135.04424	0.5
136.07607	0.2
137.05966	0.3
143.08614	0.3
145.02832	3.1
145.06480	0.4
145.10150	0.2
147.04378	0.7
147.08014	0.3
149.06013	0.5
149.09647	0.2
151.03896	0.5
153.06973	0.2
155.04918	0.2
159.08029	0.2
161.09639	0.4
163.02721	0.1
163.03873	0.9
164.07050	0.3
165.05504	0.2
167.07060	0.2
171.08086	0.3
171.11572	0.2
175.03941	0.4
175.07573	0.4
177.05466	6.1
181.06502	0.2
181.10056	0.1
187.07526	0.2
189.05504	0.3
191.03314	0.9
191.10680	0.2
195.02892	0.2
199.07574	0.5
205.06538	0.6
207.06551	0.7
213.03900	0.3
217.08624	0.5
219.02872	1.7
219.08038	0.2
221.05937	0.2
231.05075	0.5
233.06004	0.6
246.06862	0.2
249.05664	0.2
250.06172	0.4
278.05771	0.3
279.06619	0.3
279.10114	0.2
281.04553	0.3
296.06631	0.2
307.09796	0.2
311.09515	0.2
311.12888	0.2
321.09726	0.8
339.08524	3.0
339.12167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2734
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
51.80687	0.9
53.03933	1.7
55.05509	35.7
56.05823	1.2
57.03436	24.2
57.07066	6.0
62.99675	1.1
65.03931	2.0
67.05500	81.6
68.05816	1.0
69.07066	42.4
70.74188	3.5
71.04977	2.4
71.08612	3.0
79.05489	19.0
81.07053	73.3
83.04977	1.4
83.08614	23.1
85.06529	2.2
85.10191	1.1
89.06006	1.9
91.05479	12.0
93.07040	19.0
95.08601	56.2
96.08935	1.9
97.06506	3.5
97.10159	11.3
98.23264	1.0
99.08085	2.2
105.07016	7.5
107.08604	9.2
109.09447	1.9
109.10144	20.0
110.10519	1.4
111.08076	2.2
119.08578	7.6
121.10143	7.6
121.30625	1.2
123.08035	1.7
123.11714	8.8
125.09589	2.0
133.10129	8.2
135.11702	5.4
137.13239	3.4
146.71455	1.1
147.11685	4.9
149.13249	2.8
151.11153	0.9
151.14798	1.8
156.80376	0.9
161.13254	2.3
163.14798	2.9
165.12749	1.0
172.94687	1.0
175.14815	2.7
189.16534	1.4
212.81322	1.2
217.02577	1.1
219.42090	1.1
229.03416	0.9
245.22603	3.9
263.23724	5.5
275.49432	1.1
337.27353	100.0
338.27686	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2735
Annotation	Subamolide C
Peak:m/z	Relative Intensity
55.05512	36.4
57.03429	22.6
57.07057	8.8
57.58139	2.4
65.03947	3.2
67.05170	4.5
67.05504	72.2
69.06720	3.6
69.07066	47.3
79.05492	18.8
81.07058	80.1
83.08620	20.4
91.05493	15.4
93.07054	27.0
95.08607	57.4
96.08961	3.1
97.06525	5.0
97.10175	14.1
105.07021	11.2
107.08579	10.1
109.10155	29.4
111.11764	2.6
119.08559	9.7
121.10163	9.8
123.11705	8.3
123.18212	2.7
133.10107	6.4
135.11644	6.3
137.13248	4.5
144.96239	2.6
147.11650	6.1
149.13211	3.3
161.13312	4.4
175.14876	3.5
212.11848	3.0
263.23810	6.3
279.96478	2.6
337.27362	100.0
338.27548	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	338.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41653	1.1
55.01851	1.2
55.05514	2.1
56.05033	2.2
56.96561	2.1
57.03427	1.8
61.02915	4.3
67.05497	1.7
68.05023	1.9
69.03435	3.8
69.07063	2.3
70.06592	7.6
71.08634	16.2
71.59103	2.6
72.08163	3.4
73.02916	1.9
79.05491	2.3
81.03412	5.3
81.07063	3.3
82.06564	2.3
83.04987	3.3
83.59323	1.2
84.04500	2.9
84.08132	6.6
85.02907	8.3
86.09703	7.3
88.04003	9.0
88.11267	17.7
89.03905	1.8
91.05483	7.0
92.05827	1.5
93.07014	2.0
95.04992	1.9
97.02879	3.4
98.97588	2.8
106.05013	3.4
107.04934	1.8
107.08562	2.2
109.02821	1.4
110.07174	2.6
114.05527	2.2
116.98616	3.6
119.04931	6.0
119.08569	1.6
120.08098	4.0
122.06097	2.6
124.07614	1.5
127.03845	2.1
129.10254	2.2
131.05016	1.5
134.99666	1.5
135.04445	1.3
136.07571	1.6
137.05988	2.4
145.02852	4.9
145.10100	1.6
145.33235	1.2
146.05920	1.8
147.04396	11.5
149.05986	2.2
158.11792	9.1
161.05994	4.3
163.03926	4.3
164.04329	2.0
164.07167	1.3
167.07115	3.1
169.04939	1.3
175.03859	3.4
176.07072	2.5
176.12823	100.0
177.05502	10.8
180.95953	1.2
181.05017	2.8
191.07021	1.9
203.07036	4.1
204.10214	2.9
205.06535	4.1
205.08397	1.4
207.06520	10.6
215.09486	1.5
221.05797	1.3
233.05920	3.0
233.08009	1.6
236.04713	2.3
246.11275	1.9
247.07445	1.8
250.06363	2.7
250.10704	7.9
265.04938	1.6
274.06921	2.0
278.05801	2.2
279.06625	2.3
292.11826	3.2
295.05869	1.8
296.11346	5.8
320.11319	5.0
321.09863	1.7
338.08514	1.4
338.12381	21.3
338.16058	2.5
339.04904	1.5
339.08588	16.0
339.12259	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	338.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32201	2.1
55.01841	2.5
56.96550	9.4
57.03421	3.9
61.02915	3.6
65.03943	3.7
67.05508	2.6
69.03419	8.2
69.07059	4.6
70.06580	11.3
71.04979	3.3
71.08628	17.6
71.58969	4.8
72.08137	5.2
73.02895	2.3
79.05472	4.9
79.76693	2.4
81.03403	6.7
81.07035	6.9
83.04987	12.0
83.26982	2.2
84.04498	5.1
84.08127	9.0
85.02931	13.5
86.09696	12.0
87.04450	2.8
87.09988	2.8
88.03980	6.8
88.11269	20.5
89.03918	3.8
91.05486	13.0
91.88036	2.7
93.07054	5.6
95.04965	4.0
97.02869	7.2
97.06561	3.5
98.97578	9.5
105.07056	3.1
106.05000	3.1
107.04939	4.4
109.02879	5.2
109.06516	4.5
110.07143	3.8
113.06001	3.0
115.05438	2.9
116.98618	10.4
117.03393	5.2
117.06986	2.8
120.08099	7.1
122.06039	3.1
126.05573	3.1
127.03901	2.8
129.10228	3.4
134.99692	3.5
136.07530	3.6
140.03406	2.5
141.05431	5.1
141.09016	4.7
145.02863	14.0
147.04347	4.1
148.04686	3.6
149.05981	3.9
152.07025	3.8
153.05513	3.6
154.04967	11.5
158.11761	10.2
158.99652	3.7
162.09082	3.2
163.03883	6.2
164.04256	4.4
166.08687	3.2
167.07060	10.5
169.04958	11.1
173.13213	3.3
175.03912	3.8
176.12819	100.0
177.00694	6.5
177.05466	32.8
180.06529	3.0
181.06917	4.6
203.07198	3.0
205.06483	9.6
206.02364	2.6
207.03160	3.8
207.06520	7.8
214.08488	3.3
216.03694	3.4
223.09224	4.0
233.05930	5.9
242.04491	3.3
247.07397	2.5
250.06178	3.3
257.04007	5.4
265.04883	3.1
266.04449	7.2
274.07126	16.6
278.05493	3.6
279.06543	4.8
320.11316	3.2
322.13760	3.2
338.07513	6.2
338.11993	5.7
338.16162	4.1
339.04886	4.8
339.08569	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0915
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
53.03934	0.8
55.05503	0.6
56.96561	0.4
65.03921	1.7
67.04527	0.4
67.05499	3.3
69.03413	0.7
69.78116	2.1
72.08128	0.4
79.05456	1.3
82.06560	0.7
83.04977	2.8
84.08108	0.7
85.02879	1.1
85.39635	0.4
88.07616	0.4
89.03900	6.9
93.03400	1.9
95.04353	0.7
95.04959	11.5
96.05298	0.4
97.02850	0.6
98.97592	1.0
107.04949	4.0
111.04433	4.2
117.03370	9.8
120.08104	3.1
121.02866	0.9
129.05406	0.5
134.03615	0.6
135.04405	22.9
139.03909	2.9
139.30582	0.5
145.02827	16.6
146.03279	0.4
157.04939	0.5
163.03889	100.0
164.04250	1.5
177.10172	0.8
181.04980	2.1
250.92641	0.4
273.07712	0.6
337.09125	44.6
338.09534	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2736
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03946	1.7
55.01866	1.2
55.05510	39.2
57.03436	24.9
57.07075	5.9
57.21488	0.4
65.03947	3.0
67.05503	80.3
68.05843	0.8
69.03437	0.5
69.07067	49.5
70.07413	0.5
71.05003	2.3
71.08630	1.6
71.11559	0.9
77.03923	0.4
77.80969	0.4
78.13741	0.4
79.05489	22.1
81.07055	77.8
82.07395	0.9
83.04971	2.4
83.08617	21.6
85.06541	1.9
85.10184	1.0
91.05478	11.1
92.05805	0.5
93.07042	18.1
95.04963	1.8
95.08604	55.6
96.08936	1.0
97.06539	5.3
97.10166	11.7
99.08093	1.4
101.07555	0.4
105.07028	9.5
107.08596	12.4
109.06536	1.1
109.10155	20.5
111.08098	2.7
111.11732	2.8
113.09616	0.5
119.08575	7.1
119.09340	0.6
121.10139	7.7
123.08078	1.0
123.11713	9.8
125.09622	1.4
127.11128	0.5
127.82996	0.4
133.10120	8.3
135.11687	4.2
137.09618	1.2
137.13232	3.7
139.11221	0.8
145.10126	0.5
147.11688	4.6
149.13266	3.2
151.11183	1.3
151.14793	1.0
153.12772	0.8
161.13243	4.3
163.14813	2.4
165.12730	0.4
175.14832	2.7
177.16403	1.0
189.16373	1.1
193.15933	0.6
245.22609	1.7
263.23743	3.9
337.27350	100.0
338.27707	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38403	2.0
55.89898	1.9
71.57750	3.6
71.58175	3.2
90.05396	2.3
94.93008	100.0
119.01913	6.0
127.02374	2.4
131.01874	9.8
145.03458	13.5
149.02992	2.7
155.01915	4.5
157.03479	9.6
163.04456	2.0
173.02956	10.5
182.65176	2.1
189.02515	4.1
202.00186	2.5
206.94023	2.0
217.01923	17.3
220.97215	8.0
221.95677	14.2
229.01993	9.9
235.03027	11.4
242.35545	2.3
247.03011	5.3
300.99844	5.1
319.00922	26.9
337.02557	14.3
337.08829	42.4
337.11179	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0911
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
53.03932	1.1
55.01857	0.5
55.05491	1.0
63.02361	0.3
63.16777	0.3
65.03933	1.4
67.05492	4.2
68.99774	0.4
69.03421	1.9
69.56880	0.6
69.57285	1.6
69.65553	0.3
70.03782	0.4
70.06583	2.1
72.08136	1.2
79.05482	2.0
81.03419	0.8
82.37257	0.4
83.04980	4.3
84.04483	0.4
84.08139	2.1
85.02880	1.2
86.03192	0.6
86.09698	1.0
87.00802	0.4
87.61380	0.4
88.07623	5.0
89.03905	6.8
89.07416	0.5
89.07932	2.1
91.05464	0.7
93.03380	1.3
95.04961	10.6
105.04502	0.7
107.04945	16.7
109.02852	0.3
110.07204	0.4
111.04438	5.0
116.07091	0.4
117.03378	7.8
117.04210	0.4
119.04920	0.7
120.08095	0.8
121.02869	1.5
127.03901	0.6
129.05453	1.0
129.10219	0.8
130.09695	0.4
135.04402	26.2
137.05989	0.3
139.03896	3.5
143.15565	0.3
145.02829	13.8
146.09590	0.4
146.15472	0.3
147.04381	1.2
149.00558	0.4
151.02525	0.3
152.92792	0.3
157.04967	0.3
162.09146	0.3
163.03886	100.0
164.04242	2.0
181.04935	2.6
186.05486	0.4
189.05536	0.3
210.03700	0.5
307.22693	0.4
319.08051	0.8
337.09137	39.4
338.09457	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.6
55.01855	4.5
55.05509	24.9
56.96553	4.9
57.03423	5.0
57.07077	2.5
58.99571	6.4
67.05161	2.8
67.05499	32.5
69.03410	6.2
69.07055	27.2
69.79829	12.9
70.06581	8.1
71.04982	14.7
72.08142	11.5
72.46380	2.1
76.02215	10.1
79.05491	18.3
81.03418	2.6
81.07050	75.2
82.07392	2.4
83.04967	7.9
83.08606	19.7
84.08116	6.1
85.02899	4.3
85.06538	20.5
86.09693	5.5
86.99039	6.7
87.02685	2.1
91.05472	26.1
93.07040	29.7
94.07368	3.0
95.04956	4.9
95.08602	100.0
96.08900	2.9
97.02882	3.9
97.06515	28.3
97.10172	9.8
98.06873	1.9
99.08078	11.9
105.00101	7.2
105.07021	32.3
107.08587	15.1
109.06513	7.8
109.10139	8.5
111.08075	6.6
113.09649	4.5
115.07612	2.9
117.11585	2.2
119.08570	43.4
120.08085	23.3
120.08836	3.7
121.06480	2.3
121.10127	15.9
122.02708	15.4
123.08071	8.6
123.11761	2.3
123.52216	2.0
125.09589	2.9
127.07526	3.1
129.07092	2.4
129.10202	7.7
130.06511	2.1
131.08582	3.1
132.10205	6.9
133.10107	29.0
135.08109	2.1
135.11665	21.2
137.09560	5.8
137.13242	18.0
143.21451	2.1
145.10098	2.4
146.05994	6.8
147.11620	2.4
149.13263	2.3
155.10660	2.1
159.11765	2.8
161.13243	95.2
162.13715	2.8
163.03908	5.6
167.14438	2.3
173.13026	2.8
176.07159	2.2
177.10240	6.6
179.14302	93.4
180.10173	4.1
185.15285	2.9
187.10898	3.0
197.15350	60.3
209.16490	2.5
215.16373	12.3
229.12553	4.1
234.06693	2.4
273.15268	4.0
300.16318	2.6
301.14709	3.3
318.17270	3.2
318.20984	2.9
319.15723	22.8
336.14554	4.5
336.18265	20.1
336.21967	7.2
337.10620	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	336.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.8
56.96553	1.9
66.39049	0.9
67.05492	1.2
69.03414	2.1
69.07047	1.1
70.06583	1.9
70.32563	3.4
71.96303	0.8
72.73351	0.8
74.02430	0.7
79.05486	1.6
81.07040	1.3
84.04491	1.3
85.02905	1.2
86.09701	92.7
86.62511	0.8
91.05472	2.3
93.07030	2.2
95.05000	1.0
95.08598	1.8
97.02881	1.4
103.05442	3.4
105.06995	1.0
107.04940	1.6
107.08606	1.0
109.06490	0.9
109.10126	1.3
120.08099	100.0
121.08371	0.9
122.06024	1.2
130.06517	0.9
131.05008	0.7
131.08519	0.9
132.10197	2.6
135.11658	1.1
136.07535	1.8
137.07874	1.1
143.11789	69.9
145.10037	1.2
146.06003	3.7
149.06079	0.8
163.03860	1.4
164.07056	2.2
165.07317	1.7
166.08630	26.9
170.99841	0.8
171.09846	1.2
171.11281	15.2
177.10223	24.0
182.08173	1.5
183.08420	2.1
201.00734	0.7
205.09740	5.1
229.15407	1.0
279.16855	1.2
303.05008	2.6
336.14484	1.1
336.22101	1.2
337.10651	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	2.2
69.03414	2.9
70.06607	1.2
71.08624	8.3
71.35886	1.2
71.44732	2.6
79.05479	1.4
81.03421	1.5
81.07027	1.7
84.04507	1.1
84.08111	1.0
84.93419	1.0
85.02887	3.8
85.72371	1.2
85.74207	1.2
86.06060	38.1
86.09689	2.7
87.04440	3.1
88.11268	28.9
91.05463	1.2
97.02863	1.3
112.46941	1.2
120.08099	2.0
132.08058	4.2
146.09663	7.0
146.10582	1.4
147.04395	1.6
156.13831	49.5
157.14120	1.8
160.11211	2.5
161.11964	3.1
168.13884	2.5
174.14888	100.0
175.15245	2.2
188.07140	1.5
228.84798	1.2
242.17606	1.8
260.18585	4.7
276.12283	2.1
322.04404	1.3
336.14438	13.0
336.22430	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.05512	57.7
57.03426	10.4
57.07071	23.1
61.21663	2.9
62.79108	3.3
67.05169	4.9
67.05506	81.4
67.67080	3.1
68.05820	3.3
69.07069	67.3
69.27693	36.2
71.04982	4.1
71.08624	12.1
72.08127	4.9
79.05495	24.5
80.05802	3.5
80.92778	3.6
81.07056	100.0
82.07393	7.6
83.04984	3.7
83.08622	44.3
84.08130	3.5
85.06544	3.8
85.10197	6.4
91.05487	22.0
93.07056	29.5
94.07392	7.2
95.08604	87.1
96.08931	8.7
97.06528	11.6
97.10170	29.8
98.09695	3.9
99.08070	3.9
100.07616	9.3
105.07025	14.2
107.08591	20.4
109.10161	43.7
111.08091	8.8
111.11725	14.6
119.08575	15.4
121.10139	22.4
123.08094	4.6
123.11710	23.3
125.09660	6.1
128.10713	8.4
133.10136	14.0
135.11673	12.9
137.13237	8.0
139.11182	3.4
142.12300	6.0
147.11679	12.3
149.13264	9.3
151.11211	4.7
151.14815	7.9
156.13812	3.7
161.13268	9.0
163.14786	3.6
175.14781	7.1
301.28925	26.9
319.29910	49.7
336.26224	29.6
336.32602	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03942	2.6
55.01854	2.0
55.05513	22.1
57.03177	2.0
57.03436	24.2
57.07069	2.3
64.68626	1.3
65.03942	3.1
67.05502	86.3
69.03407	1.5
69.07067	18.5
70.32154	2.2
70.32549	3.5
70.36073	1.2
71.04971	1.3
74.44582	1.1
77.03928	1.3
79.05495	44.8
81.07055	72.4
83.04999	2.4
83.08617	8.4
85.06484	1.3
91.05476	24.0
93.07041	44.4
93.97347	1.4
95.04968	6.3
95.08601	63.0
97.06517	4.4
97.10165	3.4
98.20859	2.1
105.07039	16.7
107.08598	22.7
109.06528	2.3
109.10155	24.0
111.08115	1.8
117.06976	3.1
119.08582	9.5
121.10152	19.9
121.26480	1.3
123.08083	1.5
123.11701	6.3
131.08559	7.4
133.10121	7.9
135.11682	12.6
145.10089	5.4
147.11676	5.8
149.13258	5.7
151.11186	1.5
152.02069	1.3
157.34212	1.5
159.11646	3.7
161.13208	2.9
163.14774	2.9
165.94907	1.6
173.13258	3.8
187.14827	2.1
233.30963	1.5
243.21121	3.0
261.22162	6.9
335.25784	100.0
336.26004	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	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
55.05518	24.5
57.03434	29.0
57.04535	3.2
59.06119	4.1
65.03922	4.7
67.05503	100.0
69.07056	24.4
70.76374	7.4
71.65787	2.6
78.80890	2.9
79.05489	47.8
81.07055	87.9
83.08617	10.1
85.33038	2.7
91.05490	27.0
93.07039	50.6
95.04945	5.0
95.08600	68.5
97.06544	3.3
97.10209	3.4
105.07035	18.7
107.08588	27.7
109.10165	26.9
109.84887	2.9
110.07160	7.9
117.07023	4.7
119.08587	9.3
121.10133	14.2
123.11694	9.4
131.08533	7.0
133.10146	7.8
135.11702	13.0
136.08702	3.2
145.10123	5.2
147.11723	6.9
149.08308	4.0
149.13237	7.9
159.11661	5.8
161.13284	7.2
173.13297	4.6
204.46693	3.3
226.10785	3.7
243.21027	4.9
261.22162	7.7
335.17242	4.9
335.25790	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.01868	1.1
55.05505	0.8
56.05032	0.8
57.03434	1.3
59.28946	0.4
61.02928	1.1
67.05506	1.0
68.99807	0.6
69.03430	6.4
70.06232	0.7
70.06593	7.1
70.77341	1.3
71.04970	0.7
72.08148	1.7
73.02934	1.1
74.06083	0.4
77.62695	0.4
79.05478	0.5
81.03423	3.0
82.76412	0.4
83.04981	1.1
84.04513	0.6
84.08158	1.5
85.02908	16.7
86.09706	0.7
87.00828	4.8
88.07635	100.0
89.03909	1.8
95.04983	3.3
97.02886	3.0
99.04462	1.7
105.01868	4.2
107.04977	1.8
109.02891	4.1
111.04483	0.9
117.03392	1.7
120.08137	0.9
126.21306	0.4
127.03924	8.4
129.01833	0.8
129.10275	0.5
130.05113	0.4
134.03636	2.0
135.04416	5.1
136.07608	0.5
139.03925	1.2
145.02849	4.0
145.04948	2.9
147.02940	0.7
147.04318	0.4
159.02946	1.5
162.03128	0.4
163.03912	26.0
174.11325	0.8
177.13492	0.4
181.04951	0.6
189.03911	0.7
219.48590	0.4
231.05080	1.6
255.49278	0.4
263.54367	0.4
301.65179	0.5
336.08032	0.5
337.09161	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	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03936	4.5
55.01854	1.1
55.05260	1.7
55.05510	24.4
55.30863	0.8
57.03433	25.7
57.07064	2.8
59.69137	0.8
65.03931	4.8
67.05501	100.0
68.05817	1.7
69.03405	1.1
69.07061	23.3
70.28579	0.8
71.04979	1.3
71.59838	1.4
71.60275	1.3
79.05488	46.8
81.03406	1.2
81.07052	81.6
83.04951	2.4
83.08620	7.7
85.06551	1.0
89.33655	0.8
90.10667	0.9
91.05476	24.7
93.07037	52.1
95.04977	6.0
95.08601	61.0
97.06517	2.6
97.10156	3.5
99.08055	1.2
102.94299	1.0
105.07018	11.5
107.08588	21.9
108.64742	0.8
108.92786	1.1
109.06515	1.4
109.10148	22.9
117.07038	4.6
117.07738	0.9
119.08572	8.8
121.09311	1.2
121.10143	18.0
123.08073	1.3
123.11703	6.0
131.08557	7.6
133.10115	7.0
135.11687	10.7
137.09650	1.4
137.13347	1.2
139.07455	0.9
145.10121	4.0
147.11664	4.2
149.09570	1.0
149.13229	5.0
159.11674	3.3
161.13226	3.2
163.14841	1.6
173.13248	3.6
175.14807	1.5
176.19867	0.9
187.14790	2.5
243.21085	2.3
261.22119	4.4
317.24701	1.2
335.25778	70.2
336.26105	1.2
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
53.03947	3.6
55.01857	1.1
55.05508	30.6
57.03435	27.6
57.07077	2.9
57.43364	0.6
58.03784	0.8
59.32747	0.7
65.03923	4.6
67.05499	100.0
67.88015	0.7
69.07064	24.0
69.36060	3.6
69.36486	3.7
69.60353	0.7
71.04997	2.1
78.47912	0.8
79.05489	51.6
81.07052	88.7
82.07378	0.8
83.04976	2.4
83.08615	9.0
85.06539	2.3
85.10139	0.7
87.12316	0.7
89.59015	0.8
91.04897	1.1
91.05062	0.6
91.05473	25.8
93.07039	54.2
95.04960	5.4
95.08600	68.9
95.45943	0.7
96.34261	0.9
97.06514	3.5
97.10149	2.7
99.08093	1.4
102.56216	0.7
105.04502	0.9
105.07020	12.8
107.08588	24.9
107.09286	1.4
109.06513	2.5
109.10151	27.9
109.48976	0.7
111.08067	1.6
117.06996	5.5
119.08581	10.9
121.10143	20.8
122.10522	0.8
123.08059	1.6
123.11705	9.6
125.09666	0.8
131.08559	7.6
133.10123	8.9
135.11685	12.8
137.09636	1.6
137.13258	2.7
145.10088	5.7
147.11678	4.3
149.13232	7.1
156.93198	0.8
159.11751	4.1
161.13197	4.8
163.11288	1.2
163.14789	1.6
165.12726	1.3
173.13234	3.7
175.14833	1.6
177.16449	1.4
178.69856	0.8
187.14876	1.8
201.16425	1.5
243.21095	2.2
261.22079	6.3
317.24872	0.9
335.25766	99.7
336.26193	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	335.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	4.0
56.96551	2.5
57.96309	1.1
67.05503	5.9
69.03419	2.8
69.07052	5.4
70.85349	3.6
72.67998	1.2
79.05492	2.8
81.07045	10.7
83.04959	1.5
85.06528	1.8
86.09699	36.8
91.05459	3.6
93.07034	6.0
95.04923	2.4
95.08588	5.6
97.06549	1.4
98.97578	2.4
103.05449	3.8
105.07012	4.1
107.04939	1.9
107.08580	4.1
109.06487	2.8
109.10143	3.4
111.08052	1.4
116.98596	2.0
117.06965	1.3
119.08549	3.5
120.08100	100.0
121.06477	4.3
121.10149	2.7
123.04305	1.2
123.08045	1.6
123.11685	2.4
128.10727	12.9
133.06476	1.3
133.10086	3.1
134.99663	1.5
135.08060	1.8
135.11688	2.7
137.05972	3.0
145.10110	2.2
147.11681	2.9
151.11143	4.9
156.10211	2.4
159.11722	1.7
161.09534	1.4
163.07503	2.5
163.11163	1.9
165.12679	2.0
175.14705	1.4
179.10715	2.4
180.08600	2.4
180.10194	49.2
193.12207	2.7
201.53558	1.3
317.24567	2.0
335.08981	2.9
335.22018	1.4
335.25729	3.7
335.29767	7.3
355.04181	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01862	0.6
55.05508	1.9
56.96557	1.0
57.03423	0.5
62.01278	0.4
65.03946	0.7
67.05498	7.7
69.03431	2.8
69.07053	2.4
69.91405	0.4
70.16919	1.0
70.17325	1.7
71.04992	0.7
79.05492	2.4
81.03398	0.9
81.07053	3.5
83.04967	1.4
85.06509	0.8
86.09700	0.8
88.81909	0.4
91.05475	3.1
93.07039	4.4
94.06558	5.1
95.04950	3.7
95.08604	3.4
97.02900	0.8
97.06517	1.5
97.10164	1.8
98.21478	0.6
98.97571	0.6
103.05510	0.6
105.07025	3.7
107.08589	6.9
108.08109	0.7
109.02854	1.1
109.06527	1.5
109.10149	2.9
111.08130	0.5
117.07001	1.1
119.08547	1.9
120.08099	1.5
121.06488	0.8
121.10130	4.2
122.06023	14.1
123.08062	0.9
123.11697	0.5
125.09595	0.8
126.05473	0.7
131.08528	1.5
133.06508	0.7
133.10156	2.6
135.04431	1.1
135.08014	0.5
135.11705	0.9
136.07570	57.9
137.07904	1.1
137.09621	1.8
139.11198	1.9
140.07054	1.6
143.08536	0.8
144.44759	0.5
145.10100	1.8
147.11673	1.5
149.09618	1.2
149.13210	1.5
151.07477	0.8
151.11153	0.5
155.08542	0.7
159.11678	1.7
160.90291	0.6
161.09589	0.9
161.13213	1.3
163.11165	1.2
164.07057	100.0
165.07359	1.6
171.11722	0.5
173.09604	0.9
177.12724	1.0
182.08119	67.3
183.08382	1.0
189.16219	0.6
191.10721	0.8
196.09689	1.2
207.13742	0.9
209.04405	1.8
237.03854	1.8
239.05353	0.7
253.19466	0.6
257.15491	0.5
261.68689	0.5
275.16385	1.8
289.21222	0.7
299.19940	1.3
305.72879	0.5
317.21021	1.6
335.10962	3.4
335.18488	0.5
335.22269	1.9
336.11426	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2377
Annotation	CARBETAPENTANE
Peak:m/z	Relative Intensity
53.03929	0.4
55.05502	0.8
56.41246	0.3
56.96543	1.5
67.05488	1.1
69.03425	0.8
69.07063	0.9
70.06594	0.5
71.59418	0.6
79.05485	1.0
81.03407	0.7
81.07050	3.3
83.08615	0.3
83.33179	0.4
85.06545	0.4
86.09735	0.4
86.15098	0.4
91.05466	1.5
93.07037	1.7
95.04962	0.6
95.08579	1.4
97.06548	0.5
98.97571	0.6
103.05450	1.9
105.07022	1.6
107.04975	1.8
107.08583	0.8
109.02905	0.5
109.06504	0.6
109.10143	0.9
117.05759	0.6
117.07020	0.4
118.06541	5.8
119.08575	0.9
121.10189	0.6
125.09623	0.4
130.06535	0.5
131.04941	3.3
131.07307	1.0
132.08104	3.0
133.08904	0.4
133.10106	0.6
134.09666	0.4
137.05977	0.6
145.10112	0.6
146.09602	2.8
158.09666	0.6
159.11760	0.5
160.11221	1.2
162.09135	6.2
163.07491	0.4
167.07010	0.7
176.10684	6.8
177.00648	0.4
177.11478	1.5
190.12262	3.2
204.13818	1.1
222.01862	0.6
228.07860	0.7
240.02997	0.5
244.20555	1.1
272.20084	10.3
273.20334	0.5
279.03949	0.4
290.21094	3.1
316.23154	1.1
318.20941	0.5
334.23761	100.0
335.24112	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01875	1.8
55.05512	4.7
56.96580	1.8
57.07048	1.4
58.06628	1.2
67.05502	13.5
68.99786	1.5
69.03439	6.5
69.07070	4.7
70.06588	2.5
71.04994	3.0
71.59299	1.8
72.08156	1.2
79.05499	5.2
80.76142	1.1
81.03426	2.7
81.07058	9.0
83.04994	2.7
84.08141	3.4
85.02900	8.9
85.06564	1.1
85.14387	1.0
86.09708	2.0
87.00825	1.2
91.05479	8.4
93.07043	10.8
94.06577	4.0
95.04974	6.6
95.08602	10.6
97.02911	1.1
97.06534	3.3
97.10190	3.1
98.60716	1.3
99.04454	1.8
101.00768	1.2
105.07034	16.2
107.04951	2.1
107.08591	8.9
109.02898	1.7
109.06531	5.0
109.10163	5.4
109.72231	1.2
111.08096	1.4
117.07044	2.8
118.88687	1.3
119.08576	7.8
120.08110	1.6
121.10157	6.2
122.06046	14.2
123.04457	1.2
123.08055	2.5
123.11723	1.8
126.14719	1.3
128.06216	1.9
129.07040	2.6
129.10303	1.6
130.06569	1.6
131.08562	6.8
133.06493	7.4
133.10121	5.9
135.04393	1.8
135.08095	4.0
135.11650	1.4
136.07581	63.7
137.09647	5.3
139.11163	1.8
141.07091	1.8
142.07745	1.9
143.08595	5.1
144.08104	1.7
145.06467	1.7
145.10126	7.5
146.06053	1.3
147.11707	2.6
149.09651	1.9
149.13240	1.9
151.11223	3.5
152.07127	1.5
155.08559	1.4
157.10170	2.6
159.08063	2.1
159.11674	3.1
161.09636	3.3
163.07655	1.3
163.11156	2.1
164.07069	100.0
165.07417	3.3
165.09038	1.9
167.07074	1.2
167.08546	1.4
169.10152	1.4
171.02925	2.1
171.08061	1.2
173.09692	2.4
173.41466	1.2
175.11255	1.6
179.10612	2.4
182.08134	72.4
183.08353	1.6
185.09575	2.0
189.03963	2.8
189.09105	1.7
191.10649	1.3
197.13138	1.2
203.14288	1.4
213.09116	2.2
231.10312	1.4
272.11594	1.3
280.20505	1.2
281.18967	1.5
299.20090	2.4
317.21149	5.3
335.14615	3.5
335.22028	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	334.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98199	1.3
53.86590	1.4
55.01869	3.5
56.05025	3.6
56.96561	1.4
57.03432	1.9
59.04993	1.8
60.85897	1.3
61.02922	2.6
69.03426	5.2
70.06585	5.4
71.04997	2.6
71.58639	2.7
72.08148	2.6
72.52148	1.4
74.06070	9.6
81.03410	4.4
83.05013	2.1
84.04502	5.0
84.08125	5.3
85.02901	25.0
86.09699	11.5
91.03951	2.0
91.05473	12.7
95.04957	2.5
97.02872	8.2
99.04482	1.8
102.05514	1.7
103.93636	1.7
109.02869	2.5
109.06538	1.9
112.07614	3.5
116.07083	8.5
119.04933	6.1
120.08137	2.7
123.04466	1.6
127.03887	4.4
129.10220	2.4
130.06544	4.7
130.08607	8.8
132.08063	5.1
132.10205	1.8
133.02853	3.9
137.05966	100.0
138.06302	1.8
138.51750	1.5
143.08147	5.5
144.08095	6.1
145.04947	6.9
151.07564	1.8
155.07016	8.1
157.09869	1.5
159.09152	11.6
163.03906	4.0
169.04976	2.9
170.05989	5.1
175.10759	3.9
179.03439	2.7
179.07027	2.8
180.08688	2.8
187.05977	1.7
187.14490	1.8
191.08478	4.4
203.10269	4.8
237.40857	1.7
272.16071	2.2
317.11243	3.7
334.14563	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	334.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	10.4
56.05035	5.2
56.96561	5.3
57.03430	5.6
60.51762	2.6
69.03416	13.3
69.07050	3.0
69.89502	14.7
70.06580	10.7
71.05008	3.3
72.08127	6.6
72.93796	3.6
73.02908	4.0
73.64120	2.3
74.06080	10.5
81.03413	7.3
81.07050	23.3
83.08620	8.4
84.04491	9.0
84.08145	8.3
85.02907	21.4
85.06551	5.7
86.09713	12.8
90.70559	2.7
91.05491	3.2
95.17388	2.7
97.02896	7.9
98.06081	3.2
98.09687	5.0
98.20749	4.4
98.97608	5.0
99.08109	2.6
108.08118	4.8
109.02860	2.4
109.06512	21.0
110.07192	3.3
112.07606	3.4
116.98624	4.7
119.13419	2.7
120.08108	3.7
125.37978	2.5
126.09149	44.4
127.03893	6.1
127.07547	20.3
129.10236	3.0
130.08626	10.9
134.99675	5.9
137.05949	5.8
137.43527	2.7
154.08615	64.7
155.07019	39.5
158.97499	2.6
163.03922	5.3
172.09671	100.0
175.10880	5.8
177.00699	3.5
203.10271	8.4
237.02682	5.8
266.16556	2.8
267.32196	2.9
293.09189	4.6
314.50995	2.6
334.09033	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41288	0.7
53.03942	1.4
55.01863	2.3
55.05510	7.3
56.96565	1.5
57.03437	8.6
66.50088	0.7
67.05502	15.2
67.09370	0.6
69.07059	6.2
70.74075	1.6
70.74409	0.8
71.04996	1.0
77.00893	1.4
79.05491	23.8
81.07056	12.7
83.04936	0.8
83.08605	3.1
85.06529	0.9
85.20193	0.8
91.05477	43.5
93.07047	11.1
95.01899	0.7
95.04955	3.7
95.08606	9.0
97.06534	1.2
98.98463	9.6
103.05452	2.0
105.07027	82.2
106.07358	1.0
107.04949	1.9
107.08590	7.5
109.06483	1.0
109.10153	2.0
111.08104	0.6
112.16363	0.7
115.05459	4.7
116.06226	5.2
116.99451	0.7
117.06209	1.4
117.07013	20.0
117.42812	0.8
119.04953	3.3
119.08582	5.7
121.06511	2.1
121.10147	3.7
123.08044	1.0
128.06204	3.7
129.07002	17.5
130.07758	2.3
131.08563	100.0
133.06462	1.4
133.10115	1.1
135.08009	1.7
141.06984	2.3
142.07759	2.1
143.08562	12.3
145.10110	23.3
147.08110	1.1
149.09599	3.2
155.08524	5.1
157.10127	6.7
159.08014	1.2
159.11699	1.8
167.08624	1.3
169.10127	1.4
171.11662	1.7
176.98885	1.4
181.10121	3.7
183.11729	0.9
193.01730	1.7
195.11710	2.6
197.13309	1.7
211.02806	3.1
215.11235	0.8
223.14854	4.2
227.11295	2.1
237.00679	1.3
241.15923	0.9
245.12334	3.3
255.01749	0.9
257.12405	2.0
259.16946	1.3
267.09045	1.5
277.10510	1.7
283.08310	0.9
293.06931	2.2
311.07999	10.0
315.18045	1.9
316.08551	1.0
329.09055	4.4
333.16693	41.9
333.20444	21.2
334.09570	1.0
334.17035	1.8
351.20175	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	333.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.4
55.05495	7.4
56.64609	2.3
56.96560	5.8
57.03425	7.7
60.55577	2.1
64.00410	2.6
65.22293	2.1
67.05508	15.4
69.07050	8.4
71.04987	2.7
71.58817	2.3
71.59188	2.9
79.05494	28.4
81.07050	17.9
81.19619	2.6
83.08600	4.0
91.05481	43.5
92.05898	2.4
93.07035	14.9
95.04946	10.5
95.08593	10.7
97.06525	3.7
97.77666	2.5
98.97588	3.6
98.98465	11.0
103.05483	2.9
105.07034	89.4
106.94955	2.5
107.04944	5.8
107.08611	17.0
109.06520	7.8
109.10193	3.0
115.05434	2.9
116.06238	5.9
116.98649	2.4
117.07012	22.9
119.04972	4.0
119.08526	5.3
121.06465	4.3
121.10138	5.4
123.08089	4.5
125.09555	3.1
128.06197	3.4
129.07008	17.1
130.07817	3.5
131.08568	100.0
133.06465	4.4
133.10101	5.7
135.07980	6.0
142.07790	3.8
143.08569	12.4
145.10117	25.8
147.11699	2.9
149.09599	3.1
155.08524	5.1
157.10101	4.8
159.11667	3.6
161.06027	2.7
169.10188	2.9
173.09697	3.0
181.10118	3.1
197.13332	3.3
223.14778	4.7
315.19427	3.4
333.20456	26.6
341.00153	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11968	1.7
54.03471	3.0
54.61742	1.4
55.01863	2.3
56.05038	9.2
60.04526	10.2
60.58753	1.6
65.25629	1.4
67.60113	1.4
68.05003	3.3
70.02616	3.5
70.03020	5.5
70.06588	10.8
71.01336	1.6
71.04984	2.3
72.04143	3.4
72.04510	40.1
72.08156	2.5
73.05297	33.5
74.02437	68.1
74.06090	9.9
81.03420	1.7
82.02924	7.3
82.06558	2.1
83.01359	1.8
83.03690	1.9
83.04967	5.1
83.06102	3.9
84.04499	18.2
84.08138	2.8
86.06062	6.8
86.09693	13.1
87.04472	2.4
87.05592	2.2
89.79900	2.1
89.81401	1.9
95.06064	3.5
96.04472	6.6
97.02884	1.6
97.05222	1.7
97.07655	5.3
98.06049	7.7
99.05579	20.8
100.03973	27.8
102.05508	4.1
110.06033	2.9
111.05574	5.5
112.03935	2.3
114.05518	5.9
115.03921	18.4
116.07079	2.4
117.06585	3.7
118.05010	34.5
122.06008	1.7
123.05457	1.9
124.03941	3.4
125.07107	2.4
126.05516	3.2
128.03447	2.3
129.06633	5.1
130.04982	3.0
132.06566	2.2
138.05498	3.1
145.06053	12.5
146.04474	100.0
154.04939	2.2
155.08156	4.6
163.07120	19.0
171.07678	10.7
172.06058	6.0
172.09636	7.9
173.05589	7.0
173.12836	11.0
187.07205	2.1
189.08722	13.4
191.06573	10.5
201.12355	7.6
203.10292	2.6
205.08151	1.7
261.30179	1.7
270.10794	2.0
280.04001	1.8
286.61426	1.7
293.01395	1.9
316.11566	4.1
331.13046	1.6
334.12509	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	333.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01865	1.6
55.05299	0.5
55.05507	6.1
56.96521	0.5
57.03431	6.7
64.32861	0.5
65.03928	1.1
65.22342	0.5
67.05500	10.9
69.07069	5.1
71.04977	1.0
71.14616	1.2
75.75372	0.5
75.96479	0.5
79.05487	24.5
80.25362	0.5
81.03429	0.6
81.07050	13.4
83.04966	0.6
83.08620	3.0
85.06537	1.0
91.05474	36.0
93.06466	0.8
93.07037	11.0
95.04973	3.6
95.08599	6.5
97.06521	1.8
97.10150	1.0
98.98489	1.1
99.08039	0.6
103.05440	2.9
103.90792	0.5
105.07023	74.2
106.07335	0.9
107.04955	2.8
107.08588	8.4
109.06490	1.1
109.10140	2.3
111.08069	0.6
115.05442	3.7
116.06233	4.8
117.07008	21.9
119.04936	3.5
119.08570	6.2
119.13840	0.6
121.06466	2.3
121.10117	3.8
123.08047	1.1
124.05331	0.5
127.07428	0.5
128.06178	4.0
129.06998	15.9
130.07785	1.8
131.08556	100.0
132.08951	0.7
133.06488	1.8
133.10124	3.1
135.04395	0.8
135.08052	1.9
135.11674	1.1
137.05936	0.6
141.06993	1.2
142.07759	2.1
143.08545	13.1
145.06476	0.8
145.10110	20.9
146.10449	0.6
147.08044	1.2
147.11679	1.6
149.09616	3.2
155.08528	4.9
157.10110	7.4
159.08070	1.8
159.11653	3.1
161.09647	0.7
165.07036	0.7
166.07811	0.7
167.08606	1.1
169.10095	1.2
171.11678	2.2
173.09669	0.8
173.13290	0.9
178.59100	0.5
181.10081	3.7
182.88400	0.5
183.11639	0.8
185.13243	1.2
193.01620	0.5
195.11633	2.4
197.13289	1.7
199.14792	1.0
213.16373	0.7
219.72148	0.5
223.14839	3.7
259.16968	1.7
315.19653	0.6
315.23019	0.6
333.20599	16.7
333.24252	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	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	0.8
57.03413	0.9
57.07059	1.6
69.34176	0.6
69.72258	4.3
73.49472	0.7
79.05484	1.1
81.07077	0.7
87.04474	4.2
88.04784	1.3
91.05478	1.1
93.07043	0.8
98.98459	2.1
105.07022	2.2
109.10120	0.9
115.41880	0.7
130.07460	0.7
131.08553	0.7
133.10104	1.5
137.05986	1.3
142.65208	0.6
145.10135	0.7
159.11710	0.7
188.70187	0.6
193.05049	1.5
271.28244	1.3
302.23953	0.7
315.18130	1.2
333.20352	100.0
333.31931	1.7
334.20563	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	1.5
67.05496	2.1
69.07059	1.1
71.59663	1.0
77.00903	2.1
79.05491	2.2
81.07058	1.9
88.07642	0.8
91.05503	1.4
93.07053	1.2
95.01929	1.3
95.08599	1.1
98.98476	2.1
105.07001	1.2
107.08579	0.9
109.10143	1.0
119.08585	1.3
131.08565	0.8
133.10065	0.8
143.01947	0.7
195.10013	1.8
201.09758	1.9
213.09723	1.5
215.11295	1.8
226.97212	0.7
227.11235	1.9
231.10838	2.9
233.12378	1.2
242.24924	0.8
244.98305	1.0
245.12384	2.1
277.07254	0.6
293.10623	1.1
309.08609	2.4
315.18085	2.2
333.20349	100.0
334.20609	2.9
334.29477	2.6
351.09869	1.9
351.20279	4.0
356.20572	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.9
56.96539	0.9
58.99861	1.0
59.16002	0.6
67.05489	1.5
68.21133	0.5
69.87691	0.5
69.99060	1.0
69.99481	2.1
77.00907	3.1
79.05485	2.9
79.64488	0.5
81.07050	1.1
90.88100	0.5
91.05480	1.3
93.07027	1.5
95.01953	1.1
95.04979	0.8
98.21428	0.7
98.98473	2.6
105.07026	2.2
107.08600	0.9
109.10133	0.9
110.02269	0.5
119.08591	1.0
129.06972	0.7
131.08557	1.0
133.10135	0.8
145.10152	0.6
147.05055	0.6
147.11720	0.7
149.02377	0.6
193.05113	1.2
195.09953	1.8
201.09763	1.5
212.10840	0.6
213.09726	2.1
215.11288	3.2
219.10739	0.8
220.11185	0.6
224.65747	0.7
227.11205	1.6
231.10687	3.2
233.12360	0.7
245.12399	1.7
287.11578	0.8
315.17947	2.9
333.20355	100.0
351.20215	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	333.1908
Annotation	p-Menth-1-ene-3,4-diol 4-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03936	2.9
55.01862	9.4
55.05495	9.0
56.96556	5.7
57.03435	7.7
57.07085	3.0
61.02925	7.6
67.05499	12.7
69.03432	21.5
69.07053	12.3
70.06590	13.5
70.91013	6.0
71.04993	20.7
72.08160	6.7
73.02928	3.2
79.05499	12.6
81.03424	13.7
81.07048	16.7
82.06570	3.4
83.04978	8.5
83.08638	4.7
84.04512	8.8
84.08141	25.2
85.02901	47.2
85.06533	4.6
86.09701	17.3
87.04462	9.7
88.11259	6.5
91.05479	11.4
93.07063	16.8
95.04964	9.3
95.08617	9.3
97.02869	18.1
97.06519	51.2
98.97614	4.8
98.98476	6.8
100.11265	3.9
102.05519	2.9
105.07020	4.1
107.04969	6.5
107.08580	12.9
109.02859	6.5
109.06508	4.8
109.10182	13.3
110.07092	3.0
111.04426	4.7
111.08029	3.1
111.93980	2.7
116.98576	4.4
117.06973	4.1
119.08624	5.7
120.08096	13.4
121.06539	5.3
127.03896	8.1
129.10214	4.9
130.06552	3.3
133.06465	4.5
133.10101	3.3
134.99635	3.7
135.04416	7.0
135.11671	21.8
136.07536	4.0
137.05972	12.4
141.12775	15.5
145.05005	9.0
146.06041	3.7
147.04344	3.8
148.04813	3.1
149.05966	5.0
153.12729	47.8
154.12282	5.4
155.08629	3.4
161.05939	7.1
162.06705	6.1
163.03922	7.7
163.07141	10.8
167.03375	8.5
167.07034	4.4
169.13341	4.4
171.13794	100.0
177.12672	2.6
199.07550	2.9
200.12747	4.5
209.04404	3.3
216.12331	4.1
237.02774	6.6
245.14847	3.1
259.09567	3.1
273.04010	20.3
286.11490	4.5
287.09262	5.4
298.11563	4.8
316.12540	4.0
333.10391	4.2
333.14740	9.7
333.20938	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64829	1.2
55.01840	1.1
55.05511	1.4
55.93525	9.3
56.94294	2.2
57.07053	1.1
66.38690	1.1
67.05473	3.1
69.07067	1.4
69.70564	6.9
70.95852	2.7
71.93008	1.9
72.93781	10.2
79.05502	2.5
81.03411	1.5
81.07056	3.2
90.94825	9.2
91.05463	7.2
93.07030	2.9
95.04993	1.5
95.08602	1.6
97.95283	1.0
98.21468	2.5
105.07024	3.3
107.08589	2.1
108.95854	4.7
109.06538	1.1
113.96418	2.5
116.96423	1.2
126.98413	1.4
128.96300	2.0
129.06976	1.2
130.97893	1.1
131.98642	2.0
133.10133	1.6
136.94029	1.5
138.98427	1.2
144.99501	1.7
146.97339	1.8
148.98969	1.7
150.96925	1.3
151.01991	1.6
151.97644	1.6
158.88887	1.2
158.97424	1.2
160.99013	1.2
162.96873	2.0
165.00026	2.5
165.03644	1.5
165.97134	1.3
166.97935	1.5
178.97865	2.8
179.05223	1.2
180.99507	1.4
183.98183	2.2
184.99025	2.2
189.03615	1.3
191.00067	1.2
192.99591	2.0
199.00400	1.2
200.02747	1.3
201.03600	1.7
213.03630	2.5
215.05298	1.3
227.05260	1.8
229.06830	2.2
241.05040	2.1
243.06688	1.6
255.06677	1.8
275.07272	1.4
279.08389	1.7
281.09790	6.5
283.11511	2.4
298.65051	1.1
303.41687	1.2
327.10370	1.4
329.11932	3.7
331.13446	11.7
333.15097	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01851	0.4
56.05036	0.4
56.96557	2.6
57.03428	0.4
67.05491	0.6
68.99757	0.5
69.03409	1.1
69.07054	0.8
70.06588	2.9
70.78722	0.6
70.79092	1.0
71.04967	0.6
72.08152	1.1
73.02902	0.5
74.06087	0.6
76.35863	0.4
81.03395	1.6
81.07039	0.5
84.04507	1.1
84.08124	2.6
84.96024	0.5
85.02891	1.7
86.09701	5.1
91.05480	0.7
97.02884	2.3
98.97565	0.9
98.98462	2.2
102.05514	0.6
107.04974	0.5
107.08537	0.6
109.10173	0.5
110.07162	1.6
111.04437	0.5
114.05529	0.4
116.07091	0.9
116.98602	1.4
117.03402	0.4
117.06969	0.5
120.08102	1.8
123.04375	0.6
125.07140	0.7
129.10246	0.8
130.06543	1.1
130.52202	0.4
132.08101	1.8
134.99648	1.1
135.04306	0.6
136.07533	0.7
137.02344	0.6
139.03908	0.6
145.02864	0.4
146.05962	1.5
146.99606	0.7
153.01846	0.6
159.09201	1.2
161.01218	1.0
163.03908	1.5
169.07703	0.5
170.05981	1.0
170.99672	0.6
171.09917	1.7
173.01245	0.6
174.96962	0.6
177.00642	0.7
177.05402	0.4
183.08154	0.6
188.07040	2.2
188.14819	0.8
189.00769	0.9
197.07120	0.7
198.01712	0.5
216.14145	0.6
219.01805	0.7
229.08643	1.0
234.99007	1.3
237.02724	0.9
261.03308	1.9
270.03833	0.6
273.04068	0.9
303.04971	7.7
304.05319	1.0
315.09674	1.0
316.13104	0.5
333.15176	100.0
334.15396	2.0
359.21942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	37.2
63.25210	0.5
69.25397	6.1
71.94916	0.7
71.95263	5.9
72.96024	1.3
74.97601	3.1
84.96019	2.3
91.05473	0.8
92.98647	0.9
93.07059	0.7
97.96801	2.2
105.00152	1.3
105.07026	0.9
110.97547	8.1
115.97839	2.6
116.98577	1.5
123.01201	2.1
124.99184	0.4
128.98601	19.6
131.00090	1.7
133.98877	1.7
137.02733	1.8
140.00035	0.5
140.98485	2.5
141.02235	1.2
143.00104	1.9
146.99658	19.3
147.03227	0.8
149.01205	0.7
152.00108	0.5
154.99960	0.6
155.03783	1.8
157.01741	0.8
157.37576	0.5
161.01201	4.6
161.04831	1.3
162.06651	0.5
165.00728	3.5
166.99969	1.0
169.01619	1.5
170.01253	1.4
171.03294	1.4
174.02000	0.6
174.98936	1.1
175.02794	1.6
175.06413	0.6
176.03630	0.6
177.02106	0.7
179.02277	1.0
181.05458	0.6
183.03276	0.9
183.06876	0.8
185.04909	0.6
187.02728	0.6
189.00568	2.0
189.04312	3.5
190.05035	0.7
190.99908	0.8
191.03706	0.8
193.03738	1.0
195.03262	0.8
195.07024	0.6
197.04845	0.9
199.06470	0.7
203.02124	0.9
203.05936	2.1
205.20634	0.5
208.06258	0.7
209.08507	0.7
211.02715	0.7
213.07965	0.6
217.07443	1.2
225.07970	0.9
226.08888	0.6
227.09520	1.7
237.09877	0.7
239.09459	0.7
241.11053	1.3
243.08978	1.1
244.09723	0.8
245.10550	1.3
247.10168	0.6
252.10382	0.7
253.11078	0.6
257.10529	0.6
259.12204	1.8
263.09570	4.4
264.10440	0.8
265.11066	1.4
270.11334	0.7
281.10623	1.3
282.11386	1.1
283.12180	1.0
303.12598	2.8
307.19339	0.5
313.14944	1.2
315.16290	54.5
316.16644	2.0
321.13547	0.8
331.15771	3.5
333.17346	100.0
334.17694	3.6
349.16733	0.7
351.18439	22.2
352.18741	1.2
356.18967	12.7
357.19067	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0965
Annotation	3'-Deoxydryopteric acid
Peak:m/z	Relative Intensity
50.34112	0.9
53.03935	1.9
55.01857	1.8
55.05508	4.7
56.96575	2.0
57.03431	5.6
57.07054	1.8
65.03925	2.9
67.01852	3.5
67.05215	1.0
67.05502	11.2
69.07056	5.6
70.06873	4.7
74.06742	1.2
77.03924	1.2
79.05486	18.5
81.03420	1.7
81.07049	11.8
83.04955	1.6
83.08602	3.8
87.47798	0.8
91.05470	34.0
93.07030	8.5
94.04159	3.6
95.04960	5.9
95.08595	6.4
97.06538	2.0
97.10152	1.1
98.98467	3.2
103.05427	2.3
105.03378	2.4
105.07018	66.1
107.04927	3.3
107.08592	8.5
109.06487	3.7
109.10149	1.5
111.04437	6.9
115.05437	3.9
116.06205	4.6
117.07016	19.3
119.04928	2.8
119.08569	4.7
121.00452	1.4
121.02778	1.1
121.06490	3.1
121.10131	4.2
122.03658	8.5
123.08021	1.7
125.05972	9.9
128.06210	3.3
129.06998	14.3
130.07756	1.6
131.08553	80.9
133.02846	15.8
133.06454	1.7
133.10057	2.0
135.04407	17.0
135.08047	1.4
137.05962	100.0
138.06287	1.9
141.05441	3.5
141.06963	2.3
142.07788	2.2
143.08542	10.6
145.10109	20.0
147.08035	1.3
149.05974	2.1
149.09593	2.7
151.03883	1.4
151.11148	1.4
153.05466	8.4
153.06657	1.3
155.08521	4.5
157.10109	5.9
159.08102	1.2
159.11665	2.2
161.02333	25.6
161.05983	1.2
163.03888	44.5
165.05428	4.8
167.03386	92.8
167.08359	1.4
168.04021	1.1
169.10109	1.5
171.08040	2.1
171.11671	2.2
181.04948	17.7
181.06516	1.8
181.10085	2.7
184.05162	2.8
185.04416	2.6
193.04976	7.2
195.11778	1.2
197.13303	1.3
198.06740	3.8
199.07536	3.8
201.05501	1.2
209.04420	40.5
210.04698	1.1
212.04675	2.0
213.05397	1.4
217.02797	1.0
217.04906	1.6
223.14822	3.1
225.13417	0.9
226.06319	2.3
227.07007	11.3
228.23193	1.5
229.04948	2.2
240.04158	1.1
241.05054	1.3
243.06477	2.9
244.07292	1.9
255.06418	9.8
256.07339	1.1
259.06934	2.1
259.09656	43.9
259.16916	1.9
260.09930	1.4
271.06021	2.6
272.06754	1.9
283.05878	1.8
286.08362	2.2
287.09097	46.6
288.09491	2.7
300.06223	1.3
315.08603	12.2
315.19635	1.5
333.09573	4.8
333.20575	14.1
334.29434	1.5
339.18961	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2178
Annotation	Ser Leu Leu
Peak:m/z	Relative Intensity
55.05505	1.5
56.05030	1.1
56.96553	0.7
57.03425	0.7
58.99582	0.5
60.04523	20.7
60.08167	0.7
67.05515	0.8
68.57388	0.5
69.03429	1.5
69.07068	6.9
69.56757	1.7
69.57183	2.0
70.02951	1.1
70.06597	2.2
72.08152	2.0
72.54369	0.5
73.02911	0.5
75.90769	0.4
76.13007	0.4
79.05489	1.8
81.03416	1.7
81.07069	1.2
82.02962	0.5
83.04977	1.1
83.08606	0.7
84.04510	2.8
84.08138	1.6
85.02913	1.9
86.06072	1.0
86.09704	85.2
87.04469	0.7
87.05586	9.9
87.10009	0.8
88.11272	0.8
91.05470	1.5
93.07039	1.3
95.04966	1.0
95.08588	1.1
96.04491	0.6
97.14464	0.5
98.06063	0.8
98.98457	2.6
100.11215	0.8
105.06521	2.3
107.08569	0.7
108.08097	0.8
109.02885	0.6
109.10126	0.6
110.07130	0.4
110.09707	0.9
116.07099	0.7
119.08571	0.5
119.27052	0.4
120.08073	0.8
120.12687	0.5
121.10115	0.5
122.02711	0.9
123.04434	0.5
128.10719	14.0
129.10251	0.5
131.08623	0.5
132.10216	5.2
133.06487	0.8
134.99669	0.5
136.04004	0.5
143.11865	0.5
145.91185	0.4
147.04427	0.9
154.12259	2.2
160.49809	0.5
161.06009	0.6
171.12209	0.6
171.13780	0.5
173.12856	100.0
174.13246	0.5
193.12184	0.9
201.12335	22.5
211.13286	1.9
219.13350	2.2
245.18681	0.6
288.17987	0.6
314.14252	1.0
314.19647	2.2
315.80960	0.5
332.13522	1.5
332.24442	3.8
347.98630	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.0
60.04519	20.1
66.96629	0.5
67.05507	1.1
68.05028	0.5
69.03426	1.4
69.07065	1.2
69.95636	2.5
70.02953	1.4
70.06586	2.0
70.90958	0.5
71.04991	0.7
71.66811	0.5
72.04517	0.9
73.02915	0.5
73.36983	0.4
78.54632	0.5
79.05484	1.2
80.04999	0.5
81.03416	2.4
81.07050	1.7
82.06601	0.6
84.04501	0.9
84.08130	1.0
85.02904	2.9
86.06136	0.6
86.09699	84.5
87.05587	14.8
88.04028	0.8
91.05481	3.3
93.07037	0.9
95.04993	0.7
97.02882	0.8
98.97570	1.0
98.98466	1.8
105.07022	0.9
107.04907	0.7
107.08633	0.8
109.02866	1.8
109.10136	0.7
119.08633	0.6
120.08084	0.8
121.01669	0.6
121.06539	0.8
122.02760	0.7
127.03918	2.0
128.10707	9.7
132.10201	5.8
133.10107	0.5
134.99692	0.8
152.07056	1.1
164.04245	0.7
170.08583	0.5
173.12846	100.0
174.13165	1.0
192.10295	0.7
200.64806	0.6
201.12328	28.4
211.13252	1.1
219.13441	0.9
245.18558	2.5
251.14787	1.5
269.15771	0.6
332.24454	3.2
333.13412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2178
Annotation	Ile Ile Ser
Peak:m/z	Relative Intensity
51.64285	0.7
55.01873	0.7
55.05499	1.1
56.96555	2.0
67.05516	1.3
68.09929	0.5
69.03426	0.8
69.07063	7.2
70.06586	2.2
71.58228	1.0
71.58608	0.6
71.62099	0.6
72.08152	7.3
80.98805	0.6
81.03403	1.6
81.07032	0.6
82.24534	0.5
83.04979	0.8
84.04498	2.2
84.08155	1.7
85.02908	1.2
86.09699	100.0
88.03973	1.1
91.05492	1.2
96.08128	0.7
97.02866	1.0
98.97570	1.5
98.98463	3.5
102.05563	0.9
106.04948	0.7
107.04933	0.9
108.08099	0.8
110.06082	0.9
110.07195	0.6
111.62742	0.6
116.98615	1.5
117.07034	0.5
120.08129	0.7
122.49772	0.5
124.07592	0.6
129.10197	0.8
130.05016	0.6
130.06551	0.6
130.27556	0.7
135.04471	1.0
142.08704	0.6
143.00124	0.8
147.04385	0.8
155.08058	0.9
161.01184	0.8
163.03900	1.7
173.09261	0.9
177.00594	0.7
187.10791	4.3
199.18036	25.8
201.08772	0.7
201.12315	1.9
212.06621	0.6
215.10283	1.2
217.07607	0.7
219.13400	3.9
225.05727	0.6
227.17517	10.2
233.11411	0.8
236.06378	0.9
237.03143	0.7
291.01349	0.7
314.12766	0.8
332.11084	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.4
56.05032	14.3
56.96561	1.6
57.03414	1.1
58.06591	7.1
58.99581	1.1
60.04506	3.2
65.19540	1.0
68.05009	2.7
69.03413	2.0
69.07050	4.9
70.06592	9.1
70.14216	3.8
72.08148	49.3
73.04029	2.2
74.06074	44.4
79.05446	1.2
81.03403	1.8
81.07032	4.3
82.07389	2.3
83.06129	1.4
84.04494	13.6
84.08153	6.8
85.02894	2.5
86.06058	8.7
86.09698	71.8
88.03987	1.2
91.05487	2.3
93.07028	2.6
95.08598	1.9
97.06530	1.2
98.06068	2.1
98.09676	2.8
98.98434	5.9
101.07130	32.2
102.05534	3.3
105.07046	2.1
107.04936	1.2
107.08595	1.8
108.08118	1.2
109.02863	1.1
110.07153	2.5
110.09655	6.1
112.07619	1.8
112.11219	2.7
116.07105	1.9
116.98611	1.6
118.08647	3.3
120.08086	2.2
124.07589	1.3
124.11227	1.4
126.09173	1.6
126.12760	1.4
127.03892	1.4
128.10709	16.2
129.06584	1.7
129.10234	7.0
130.08618	1.8
132.10138	1.9
142.12233	7.9
143.11737	6.2
144.06566	2.0
146.06020	2.0
150.34261	1.1
152.10632	1.3
155.11795	2.3
158.01410	1.1
162.07585	3.8
171.11365	1.5
171.57405	1.1
173.12846	100.0
187.14398	52.9
197.12869	1.5
201.12318	29.3
203.07394	1.1
215.13884	25.1
219.13416	9.9
231.17023	3.2
237.02745	2.1
253.23384	1.1
288.18076	1.9
296.57999	1.2
345.71539	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1878
Annotation	Carnosol
Peak:m/z	Relative Intensity
50.22110	0.5
50.90469	0.4
52.32674	0.4
56.96559	0.7
57.61282	0.4
66.39164	0.4
67.05495	0.6
69.61409	0.4
70.15420	1.0
70.15833	1.5
73.81950	0.4
79.05465	0.8
81.07056	0.9
87.48975	0.4
91.05463	0.9
95.08649	0.5
96.07359	0.4
98.98460	9.8
105.29155	0.5
116.98656	0.5
119.08567	0.8
120.97018	0.5
121.06538	0.5
131.04878	0.7
137.05998	0.8
145.10103	1.8
159.11755	0.6
175.01526	0.5
194.84769	0.4
195.09885	1.0
197.13248	0.5
213.09793	0.5
214.09795	0.5
219.10684	0.6
231.10849	1.5
234.38829	0.5
269.07547	0.5
299.09061	1.2
324.80579	0.4
331.10983	2.5
331.18784	100.0
332.19135	5.3
334.73560	0.5
345.38480	0.5
349.16974	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68778	1.3
55.05507	6.9
57.03427	3.8
57.07071	64.1
58.07381	1.7
67.05504	12.9
69.07062	13.7
69.46024	3.3
69.46452	9.8
70.06591	8.0
71.08627	40.5
75.04456	2.2
79.05456	1.8
81.07050	21.5
83.08611	18.1
85.10172	25.1
88.07619	11.4
89.06011	1.5
89.07950	3.2
95.08605	32.0
97.10184	7.9
98.98463	19.3
102.09175	3.3
106.08654	6.0
109.10160	15.8
111.11713	1.9
112.76782	1.4
123.11670	6.4
137.13235	3.2
222.03773	1.6
239.23663	10.8
257.24698	3.5
295.75940	1.4
313.27362	34.4
313.33020	5.6
331.18674	3.4
331.33972	100.0
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	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
53.03936	2.3
54.54703	1.9
55.05516	14.9
57.03424	6.9
57.07074	100.0
67.05499	26.9
69.07067	18.4
69.52225	1.8
70.78226	2.8
70.78574	4.9
71.04993	2.1
71.08630	73.0
75.04479	4.0
79.05486	3.0
81.07059	38.2
83.08618	29.5
85.06557	2.3
85.09719	3.2
85.10184	45.4
89.06059	2.6
93.07013	3.5
95.08604	57.6
97.10162	12.9
98.98470	43.0
109.10154	29.7
111.11713	4.4
123.11664	10.6
125.13270	3.0
133.11842	2.0
137.13225	7.7
151.14812	2.5
165.16360	3.4
176.98904	3.0
221.22614	2.9
239.23685	23.4
257.24744	7.9
313.27374	60.7
331.33997	7.4
349.66138	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1339
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03935	0.6
55.01866	0.6
57.03431	1.8
57.32061	0.5
59.34713	0.4
61.02933	2.2
65.03947	1.0
67.05502	2.6
68.06428	0.5
69.03430	6.9
70.06631	0.4
70.37695	0.4
70.79988	1.4
71.04968	0.5
72.08151	0.5
73.02918	2.2
79.05508	0.9
81.03420	2.5
81.07037	0.9
84.08139	0.5
85.02895	7.2
87.04470	2.1
89.83451	0.5
91.03951	0.8
92.04981	0.4
93.05771	0.9
96.08113	1.0
97.02886	3.0
99.04430	0.6
99.05556	0.6
99.16162	0.4
106.06550	7.0
108.08114	100.0
109.02873	1.6
109.08401	0.9
110.92074	0.5
123.06798	3.7
124.07590	19.1
127.03880	1.5
134.06012	10.2
134.06976	0.7
136.07570	14.1
152.07060	84.4
153.07474	0.7
154.08630	1.8
170.08102	11.0
314.12326	32.6
332.13388	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	331.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05414	0.9
53.03950	8.3
55.01865	1.4
55.05512	100.0
56.96541	1.0
57.03427	3.1
65.03948	0.9
67.05490	1.9
67.45470	0.9
68.99782	1.5
69.03431	49.6
69.59815	2.0
69.60234	5.4
70.06584	1.7
71.04996	8.2
73.02891	1.0
79.05487	2.2
81.03419	26.3
81.07028	2.8
83.04974	2.4
83.08620	92.9
84.04507	2.3
84.08134	1.8
84.08964	1.3
85.02486	1.3
85.02904	13.7
86.09689	2.1
87.00829	4.0
87.04433	0.9
89.03927	2.2
91.05461	2.9
93.07066	1.0
95.04952	1.5
95.08617	1.3
97.02902	8.4
97.06492	1.1
98.98471	15.0
99.04456	28.7
101.02386	0.9
101.09630	1.3
105.01846	2.2
107.04954	1.3
109.02887	10.5
111.04444	4.0
117.03357	2.6
119.08662	1.5
125.02346	1.0
125.07121	1.3
127.03921	26.9
127.84211	1.0
129.09123	11.1
129.10138	1.5
135.04405	4.2
135.35857	0.9
137.05962	3.2
141.05475	2.3
143.03407	9.8
145.02802	2.9
145.04939	2.7
146.04477	1.7
147.20471	1.0
151.07541	2.0
151.11163	1.5
163.03905	16.7
165.07036	1.2
169.12152	1.4
181.06490	1.1
187.06046	1.5
189.03917	8.9
190.87904	1.0
203.05540	4.5
209.05569	1.7
209.11789	2.0
211.07683	1.0
213.03935	16.7
223.07574	0.9
227.12753	2.2
231.04994	17.7
243.11565	1.0
250.14528	1.7
256.03711	1.2
270.08505	1.2
271.09677	2.1
313.12704	6.3
316.08926	3.3
331.11569	4.3
331.17944	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05414	0.9
53.03950	8.3
55.01865	1.4
55.05512	100.0
56.96541	1.0
57.03427	3.1
65.03948	0.9
67.05490	1.9
67.45470	0.9
68.99782	1.5
69.03431	49.6
69.59815	2.0
69.60234	5.4
70.06584	1.7
71.04996	8.2
73.02891	1.0
79.05487	2.2
81.03419	26.3
81.07028	2.8
83.04974	2.4
83.08620	92.9
84.04507	2.3
84.08134	1.8
84.08964	1.3
85.02486	1.3
85.02904	13.7
86.09689	2.1
87.00829	4.0
87.04433	0.9
89.03927	2.2
91.05461	2.9
93.07066	1.0
95.04952	1.5
95.08617	1.3
97.02902	8.4
97.06492	1.1
98.98471	15.0
99.04456	28.7
101.02386	0.9
101.09630	1.3
105.01846	2.2
107.04954	1.3
109.02887	10.5
111.04444	4.0
117.03357	2.6
119.08662	1.5
125.02346	1.0
125.07121	1.3
127.03921	26.9
127.84211	1.0
129.09123	11.1
129.10138	1.5
135.04405	4.2
135.35857	0.9
137.05962	3.2
141.05475	2.3
143.03407	9.8
145.02802	2.9
145.04939	2.7
146.04477	1.7
147.20471	1.0
151.07541	2.0
151.11163	1.5
163.03905	16.7
165.07036	1.2
169.12152	1.4
181.06490	1.1
187.06046	1.5
189.03917	8.9
190.87904	1.0
203.05540	4.5
209.05569	1.7
209.11789	2.0
211.07683	1.0
213.03935	16.7
223.07574	0.9
227.12753	2.2
231.04994	17.7
243.11565	1.0
250.14528	1.7
256.03711	1.2
270.08505	1.2
271.09677	2.1
313.12704	6.3
316.08926	3.3
331.11569	4.3
331.17944	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1385
Annotation	(1'R,2'R)-1'-(4-Hydroxyphenyl)propane-1',2'-diol 2'-O-D-glucopyranoside
Peak:m/z	Relative Intensity
53.00282	0.2
53.01897	0.2
53.03944	0.2
55.01870	0.6
55.05520	0.2
57.03430	0.8
61.02927	1.6
67.05496	0.6
68.97502	0.3
69.03425	4.0
69.07084	0.2
70.06589	2.6
70.78724	0.4
70.79066	0.3
71.04988	0.5
71.06912	0.7
72.08149	0.4
73.02918	0.8
74.06066	0.4
81.03408	2.0
81.07059	0.3
83.04974	0.5
84.04517	0.2
84.08137	0.9
85.02900	13.2
86.09685	1.2
87.04462	0.7
91.03983	0.3
95.04956	0.4
96.04517	0.2
97.02885	3.7
97.06512	0.2
98.98463	5.3
99.04462	0.6
100.98894	0.2
101.02322	0.3
105.07047	0.4
107.05017	0.2
109.02871	1.8
109.10168	0.4
111.04462	0.3
116.07094	0.4
123.04422	0.7
123.08104	0.5
124.07576	0.3
125.05984	33.5
127.03902	2.1
129.10229	0.4
131.59470	0.2
137.05998	0.8
145.04964	0.9
151.03870	0.3
151.07530	10.2
151.11174	0.8
161.05930	0.4
163.03900	0.3
165.05501	0.4
167.07025	0.9
169.08588	100.0
170.08919	1.1
175.03734	0.2
176.98924	0.4
181.04938	0.9
189.05499	0.3
189.34764	0.2
193.04993	1.5
193.08618	0.3
207.06564	0.4
211.06012	1.3
234.15227	0.3
235.05989	1.7
247.06068	1.4
252.97873	0.4
259.05948	0.7
277.07037	0.5
295.08133	0.4
316.08957	0.5
331.07904	0.3
331.13962	6.4
331.20364	0.4
336.57330	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.5
54.58986	0.9
55.01866	1.4
55.05509	100.0
55.40189	0.9
57.03434	2.0
57.07073	1.0
67.05506	1.7
68.99786	1.3
69.03428	63.9
69.07040	1.1
70.06587	3.4
71.04980	7.4
71.59391	1.8
73.02897	0.9
79.05473	2.6
81.03411	26.9
81.07061	2.5
83.04979	2.6
83.08615	95.1
84.04504	1.6
84.08137	1.7
85.02896	17.9
85.03362	1.4
86.09707	3.1
87.00809	5.5
89.03929	1.4
91.05492	4.5
93.07026	1.6
95.04959	1.3
95.08610	1.6
96.04494	3.0
97.02885	9.8
97.06516	1.3
98.97577	1.4
98.97704	1.4
98.98461	23.9
99.04451	26.1
101.09677	1.9
105.01843	2.0
105.07014	1.3
107.08601	2.5
109.02885	12.1
109.10098	1.0
109.99668	0.9
110.07128	1.2
111.04469	3.4
116.99442	1.0
117.03368	1.5
119.08533	1.1
120.08039	0.9
121.10180	1.1
123.04424	1.7
123.11709	1.5
125.02376	1.4
125.07101	1.6
127.03912	30.1
129.07056	1.0
129.09120	14.6
129.10143	2.0
135.04437	4.8
135.08081	1.4
135.11642	1.0
136.83704	1.0
137.05994	3.1
141.05486	1.6
143.03389	10.9
145.02861	1.2
145.04941	2.6
146.04518	2.1
146.06084	1.0
151.03754	0.9
151.07553	4.3
151.11174	1.3
152.10641	1.1
163.03911	12.3
169.04877	1.7
169.12256	1.1
171.02846	1.6
176.98947	2.4
177.00694	1.1
187.05968	1.9
189.03981	7.6
189.09102	1.0
195.08057	0.9
203.05511	4.4
209.05797	1.2
209.11646	1.6
211.07544	1.4
213.03914	16.2
213.05667	1.6
215.11804	1.4
227.12791	3.1
231.05000	18.3
243.11290	3.1
250.14375	1.8
257.08020	1.0
270.08609	1.6
271.10037	2.1
287.12833	1.4
295.15710	1.1
296.15115	1.1
299.09076	1.6
303.13266	2.6
313.08200	1.3
313.12738	7.7
316.08990	2.2
325.36053	0.9
331.11557	6.6
331.18567	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1174
Annotation	Colutequinone B
Peak:m/z	Relative Intensity
53.03920	0.5
53.29817	0.2
55.05491	0.7
56.96552	1.0
57.03407	0.3
60.41294	0.2
61.02904	0.2
65.03915	0.4
66.04726	0.3
67.05484	0.9
69.03412	0.7
69.07053	0.4
69.28515	2.5
71.04993	0.3
79.05502	1.0
81.03397	0.7
81.07051	1.1
83.04961	0.6
83.08587	0.4
84.08124	0.4
85.02898	0.8
87.04466	0.3
91.05470	1.6
93.07042	0.6
94.04168	2.1
95.04953	0.6
95.08603	0.7
97.02888	0.5
98.20712	0.5
98.98459	8.6
102.77029	0.2
105.07018	0.9
107.04944	0.6
107.08550	0.6
108.02104	0.3
109.02878	0.5
109.06485	0.5
109.10142	0.5
111.03139	0.2
115.03928	0.2
116.98648	0.5
116.99508	0.4
117.07020	0.3
119.08578	0.5
121.06506	2.3
121.10103	0.3
122.03638	7.2
123.11675	0.5
127.03956	0.6
129.67778	0.2
131.04861	0.2
131.08553	0.4
134.99663	0.4
135.04398	0.3
135.07950	0.2
135.11649	0.2
135.53978	0.3
136.07628	0.2
137.05966	100.0
138.06311	2.3
139.07549	0.2
143.08508	0.4
145.06462	0.4
145.10124	0.4
147.11688	0.3
149.05925	0.6
151.07556	0.6
156.09436	0.3
157.10065	0.4
161.01282	0.3
161.06104	0.3
165.05467	0.2
165.06931	0.4
167.07101	0.4
174.99245	0.3
176.98979	0.5
177.00729	0.4
177.05487	0.3
181.06473	0.5
182.07266	0.3
183.02876	0.2
183.08018	0.5
185.05988	0.3
195.06548	2.0
197.05986	0.3
207.11435	0.5
209.05641	0.5
210.06815	0.5
211.07599	0.3
214.06320	0.3
219.05289	0.2
227.07011	0.4
227.10713	0.5
236.30911	0.2
238.06200	0.5
241.19371	0.2
242.05910	0.2
257.08139	0.3
270.05399	0.2
270.08481	0.3
271.09683	0.8
298.04654	0.4
299.09119	0.7
316.05710	0.3
316.09113	0.6
331.04471	0.4
331.08102	1.6
331.11740	5.8
331.18646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1173
Annotation	Colutequinone B
Peak:m/z	Relative Intensity
52.62581	0.1
55.01880	0.2
55.05503	0.4
56.96556	0.5
67.05488	0.5
69.03415	0.4
69.07072	0.3
70.06580	0.2
70.16330	0.5
70.16718	0.3
71.04999	0.2
72.08144	0.2
77.03902	0.1
79.05511	0.9
79.05891	0.2
81.03397	0.4
81.07046	1.3
83.04971	0.4
83.08660	0.2
84.04489	0.2
84.08129	0.2
85.02905	0.3
86.09721	0.2
88.02197	0.3
91.05477	0.9
93.07043	0.5
94.04176	2.2
95.08597	0.5
97.02907	0.4
97.06512	0.2
97.10168	0.2
98.98463	5.3
105.07008	0.2
107.04938	0.6
107.08577	0.4
109.02884	0.4
109.06449	0.3
109.10165	0.4
116.98598	0.2
116.99476	0.2
117.07024	0.2
121.10150	0.2
122.03641	6.4
123.11695	0.2
127.03913	0.3
133.10118	0.3
134.99657	0.2
137.05966	100.0
138.06319	2.0
139.07561	0.3
145.10132	0.2
147.11646	0.3
149.06032	0.2
151.07544	0.4
153.06915	0.2
155.08492	0.2
159.11649	0.3
165.06918	0.2
167.03349	0.3
167.07086	0.3
176.98953	0.3
177.05409	0.3
181.04958	0.2
181.06430	0.2
183.08144	0.2
195.06490	1.8
195.58990	0.2
205.49365	0.2
207.11292	0.2
210.06688	0.2
211.07599	0.2
219.01746	0.2
233.42865	0.2
238.06058	0.3
243.06456	0.2
270.08273	0.2
271.09720	0.4
288.06082	0.2
299.09180	0.5
316.05685	0.5
316.09219	0.5
331.08078	2.0
331.11752	5.0
331.15744	0.3
331.22525	0.3
332.08194	0.2
351.73465	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1174
Annotation	Colutequinone
Peak:m/z	Relative Intensity
55.05513	0.2
56.96547	0.2
65.03916	0.2
66.04717	0.2
67.05501	0.3
69.03427	0.2
70.90931	0.3
79.05506	0.7
81.07053	0.6
87.04456	0.4
88.07597	0.3
91.05490	0.7
93.07028	0.2
94.04184	1.9
95.08627	0.2
98.97588	0.5
98.98450	2.5
105.07030	0.3
107.04955	0.3
107.08584	0.2
108.69581	0.1
109.06516	0.2
109.10142	0.2
116.98600	0.4
117.07026	0.2
119.08580	0.2
122.03642	6.6
129.07079	0.1
131.08607	0.2
134.79253	0.1
134.99652	0.2
137.05972	100.0
138.06320	1.2
143.08595	0.2
145.10161	0.3
157.10132	0.2
161.05940	0.1
167.06964	0.3
171.11739	0.2
176.98965	0.3
177.00725	0.3
177.05498	0.2
191.02267	0.2
195.06514	2.0
201.00647	0.2
213.16415	0.2
219.01881	0.1
241.19687	0.2
244.99640	0.3
287.19888	0.3
331.07941	0.3
331.11746	3.4
331.18591	1.0
331.22467	0.3
337.24182	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.5
55.01872	5.9
55.05516	5.3
56.05032	4.6
56.96565	3.0
57.03443	4.0
60.04522	2.6
61.02925	2.7
67.05502	4.7
68.99790	2.6
69.03425	6.4
69.07063	4.3
69.81081	15.9
70.06587	85.1
71.04987	2.6
71.06289	2.7
71.06926	22.2
72.08145	8.4
73.02914	4.0
74.06078	12.2
75.06378	2.3
79.05538	2.8
81.03409	4.9
81.07044	7.7
83.04972	4.9
84.04520	9.3
84.08141	21.2
85.02907	26.2
86.09697	36.9
87.10037	4.9
88.04009	3.7
90.05564	4.9
91.05477	3.1
91.66630	2.4
93.07031	2.5
95.04946	3.8
97.02905	6.0
98.98461	80.7
99.04475	2.6
99.08102	3.0
105.06999	3.5
106.73845	2.5
109.02872	8.1
110.07182	4.4
112.76180	2.4
116.07080	9.1
117.07402	3.5
119.04941	3.4
120.08119	4.3
123.04417	13.6
125.06001	33.5
127.03922	7.8
129.10237	8.5
130.05095	2.9
132.10181	3.5
140.07033	3.0
147.04395	9.8
151.03886	13.0
151.07518	10.1
151.11174	6.7
161.05984	4.7
163.03879	13.2
165.05473	8.9
165.06804	2.5
167.07056	7.9
169.04936	13.5
169.07079	4.8
169.08580	100.0
169.12219	2.8
169.90729	2.4
171.11357	3.7
172.11626	5.4
174.99142	3.0
175.03964	4.6
176.98901	6.4
181.04938	32.6
187.04021	2.9
187.14378	3.2
188.14722	6.4
189.05399	4.3
193.04961	48.5
199.10805	5.0
200.11128	5.5
205.05055	4.7
207.06551	16.1
211.06003	33.9
213.05598	4.3
215.14049	3.2
229.04930	9.3
233.14938	3.7
234.15347	4.9
235.05977	38.0
241.04912	5.5
247.05998	46.6
252.97769	2.6
259.06049	23.2
265.07184	5.3
277.07065	8.1
281.97385	2.6
331.13635	10.5
331.20499	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	331.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.5
53.29817	0.2
55.05491	0.7
56.96552	1.0
57.03407	0.3
60.41294	0.2
61.02904	0.2
65.03915	0.4
66.04726	0.3
67.05484	0.9
69.03412	0.7
69.07053	0.4
69.28515	2.5
71.04993	0.3
79.05502	1.0
81.03397	0.7
81.07051	1.1
83.04961	0.6
83.08587	0.4
84.08124	0.4
85.02898	0.8
87.04466	0.3
91.05470	1.6
93.07042	0.6
94.04168	2.1
95.04953	0.6
95.08603	0.7
97.02888	0.5
98.20712	0.5
98.98459	8.6
102.77029	0.2
105.07018	0.9
107.04944	0.6
107.08550	0.6
108.02104	0.3
109.02878	0.5
109.06485	0.5
109.10142	0.5
111.03139	0.2
115.03928	0.2
116.98648	0.5
116.99508	0.4
117.07020	0.3
119.08578	0.5
121.06506	2.3
121.10103	0.3
122.03638	7.2
123.11675	0.5
127.03956	0.6
129.67778	0.2
131.04861	0.2
131.08553	0.4
134.99663	0.4
135.04398	0.3
135.07950	0.2
135.11649	0.2
135.53978	0.3
136.07628	0.2
137.05966	100.0
138.06311	2.3
139.07549	0.2
143.08508	0.4
145.06462	0.4
145.10124	0.4
147.11688	0.3
149.05925	0.6
151.07556	0.6
156.09436	0.3
157.10065	0.4
161.01282	0.3
161.06104	0.3
165.05467	0.2
165.06931	0.4
167.07101	0.4
174.99245	0.3
176.98979	0.5
177.00729	0.4
177.05487	0.3
181.06473	0.5
182.07266	0.3
183.02876	0.2
183.08018	0.5
185.05988	0.3
195.06548	2.0
197.05986	0.3
207.11435	0.5
209.05641	0.5
210.06815	0.5
211.07599	0.3
214.06320	0.3
219.05289	0.2
227.07011	0.4
227.10713	0.5
236.30911	0.2
238.06200	0.5
241.19371	0.2
242.05910	0.2
257.08139	0.3
270.05399	0.2
270.08481	0.3
271.09683	0.8
298.04654	0.4
299.09119	0.7
316.05710	0.3
316.09113	0.6
331.04471	0.4
331.08102	1.6
331.11740	5.8
331.18646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13122	9.1
70.06584	42.0
71.58525	10.7
72.08140	32.4
77.25932	8.7
84.08157	32.5
84.29315	9.0
85.02895	11.4
86.09681	12.5
86.90926	20.8
87.30605	10.6
98.98474	11.0
108.08111	17.9
116.07094	15.3
129.10260	38.0
152.07065	24.0
175.11882	17.1
331.04208	40.1
331.07968	100.0
331.20886	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	331.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.2
55.05504	4.2
56.05051	2.5
56.96552	6.0
57.07066	2.6
60.04520	4.5
61.02917	2.2
68.05058	2.4
69.03430	10.1
69.07062	3.8
70.06596	21.1
71.04984	3.4
71.06927	4.1
71.23678	5.9
72.07796	3.6
72.08158	41.0
72.22894	2.0
73.02908	2.5
74.06081	4.9
79.20664	1.9
81.03398	6.6
82.06593	2.3
83.04957	3.9
84.04515	6.0
84.08144	20.1
85.02897	25.4
86.09703	16.2
88.03951	2.3
91.05487	5.0
95.04971	4.2
95.08600	3.1
97.02912	4.4
98.98465	100.0
98.99123	4.9
99.04462	2.3
103.03991	3.0
105.07056	2.3
109.02905	3.1
109.06490	2.3
110.07162	3.0
116.07105	3.5
116.98665	3.0
116.99465	5.1
118.08649	6.3
119.01939	3.7
119.04942	2.1
121.02943	2.4
121.06480	2.3
121.57440	1.9
123.04448	6.8
124.03965	3.1
125.05991	28.2
127.03922	6.7
129.10246	38.3
137.05995	2.4
139.08595	2.5
143.00137	5.0
147.04411	7.1
151.03925	9.3
151.07516	9.8
151.08611	2.4
151.11192	3.8
157.09708	8.2
161.01234	6.9
163.03902	9.5
165.05482	6.0
169.04974	9.4
169.08589	90.1
174.99231	3.3
175.03917	4.6
175.10796	14.1
176.98936	6.2
181.04939	19.5
187.03975	3.1
189.00655	2.2
189.05489	2.6
191.07877	2.0
193.04959	35.7
205.05042	4.0
206.78535	2.0
207.06554	10.5
211.06021	22.3
217.05038	2.5
219.06474	2.4
229.04945	5.7
235.05988	26.1
241.05020	2.8
244.10326	2.9
245.09929	2.8
247.06046	23.8
252.97983	2.9
259.06027	14.9
271.04349	2.7
277.07092	5.1
287.11011	9.7
295.07800	2.8
313.18127	2.5
316.08862	2.4
331.09995	61.5
331.13718	11.3
331.20361	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
54.07048	0.4
55.01869	0.7
55.05257	0.7
55.05510	8.0
56.05035	1.7
56.96561	0.9
57.05815	0.9
60.04517	1.8
61.29579	0.4
67.05489	1.1
69.03436	1.0
69.04549	0.8
69.07072	1.8
70.02964	0.5
70.06590	9.6
71.06908	0.4
71.58444	0.7
71.58823	0.5
72.08154	100.0
73.08495	0.5
74.06088	0.5
79.05507	2.1
80.21194	0.4
81.03410	1.6
81.07055	1.1
83.04977	2.1
83.08597	0.5
84.04507	1.6
84.08132	3.5
85.02914	1.2
86.06102	0.5
86.09702	10.9
87.10020	0.6
88.03986	5.5
89.03930	4.3
91.05460	2.3
93.07044	1.0
95.04971	1.2
95.08586	0.6
97.02880	0.6
97.06498	0.6
98.03690	0.5
98.06062	0.6
98.98463	15.0
99.04445	0.8
100.07645	0.8
102.05532	0.5
103.05483	0.6
105.07072	1.1
106.06593	0.5
106.52349	0.5
107.04956	2.3
107.08599	0.7
109.02877	1.3
111.04430	0.5
112.07603	0.9
112.42870	0.4
113.06028	1.3
115.05431	0.8
116.07171	0.5
116.98621	0.8
116.99482	0.5
117.03381	4.3
117.06609	0.9
118.06542	1.0
118.08655	0.5
119.04872	0.8
119.08611	0.8
120.08126	1.3
122.67883	0.4
123.04462	0.7
125.05837	0.5
127.03915	0.8
129.10255	1.6
131.08548	0.6
132.10210	2.5
134.06042	0.9
135.04414	8.6
136.07594	0.7
137.05971	1.5
137.07874	0.4
139.07661	0.6
140.07071	0.8
141.05475	3.8
145.02834	5.0
146.04605	0.5
146.05972	1.0
151.02200	0.6
151.03867	0.6
154.02655	1.1
162.05589	0.7
163.03903	31.7
167.07005	0.6
168.06526	2.1
169.04950	4.2
169.13217	0.5
171.14920	35.3
174.99232	0.7
175.07500	0.5
176.98973	1.1
177.05524	1.4
185.16437	2.5
192.10219	1.3
199.14409	14.4
208.05177	5.5
213.16066	1.2
223.04300	1.4
225.05522	1.0
226.06302	0.6
228.04128	0.8
229.07434	0.5
231.17017	4.0
236.04979	0.6
237.92618	0.4
239.07480	0.4
240.04192	1.3
249.08551	0.5
254.05777	1.1
256.03625	2.4
257.04559	1.3
269.08121	4.5
270.08603	0.6
271.06076	2.5
271.09576	0.6
272.06790	1.0
298.08331	0.5
299.05551	0.8
299.09052	0.5
300.06464	0.5
301.07306	0.6
303.08987	0.6
313.14069	0.5
315.08630	9.6
315.12265	0.6
316.09015	1.0
330.10889	8.9
330.16986	0.8
330.20340	1.0
331.08224	2.7
331.12003	1.9
331.16995	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68866	0.7
55.01871	68.9
55.05492	1.6
58.99575	1.6
67.05491	0.9
69.03410	2.1
69.07056	1.0
69.88522	0.7
70.06592	5.9
71.19927	1.8
72.08141	1.6
74.06084	4.1
76.02222	2.0
77.20341	0.7
79.05485	2.1
81.03399	1.7
81.07038	1.5
83.04972	0.7
83.42292	0.7
84.04508	2.0
84.08147	4.3
85.02912	5.0
86.09708	6.8
88.03992	0.9
89.03905	1.3
91.05480	4.3
93.03413	0.7
93.07027	7.1
93.28128	0.7
95.04961	1.9
97.02875	2.0
98.98466	13.2
99.04407	0.8
103.05451	5.5
105.00106	1.0
105.07041	3.4
107.04958	2.5
107.08555	1.0
109.02818	1.4
110.07169	1.3
110.60563	0.8
111.04414	0.8
114.16491	0.7
116.07095	4.0
118.06531	0.7
120.08132	1.4
121.06515	5.7
121.10142	5.0
122.02730	7.8
122.09496	0.7
123.04433	1.4
123.23197	0.7
124.07611	0.9
127.03917	1.6
129.10202	2.0
131.04893	3.0
133.10088	2.0
134.03638	1.5
135.04440	1.1
135.11653	1.7
136.06180	1.1
136.07642	0.7
139.03867	2.4
140.04684	2.0
144.06538	1.2
145.04941	1.5
146.04410	1.2
147.04416	0.8
149.05981	16.5
153.05450	7.0
155.06999	1.9
157.85590	0.7
159.04372	2.4
163.03885	2.5
165.38913	0.6
168.01106	1.3
168.06528	1.5
173.76419	0.7
174.99217	1.1
177.05469	57.6
181.04932	1.6
181.08670	1.0
184.01891	11.3
185.02670	13.8
187.14389	2.2
191.07027	0.8
199.04214	11.3
208.05154	3.3
209.08089	100.0
210.08572	1.1
210.11201	0.7
241.05307	21.3
241.07809	1.2
242.08286	0.8
254.05659	0.9
269.07999	2.1
286.98892	0.8
312.16132	1.0
315.08600	5.0
330.10648	4.8
330.19238	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
55.05489	0.5
56.05025	2.2
57.03431	0.8
58.06583	1.2
61.02925	0.6
69.03429	2.1
69.07069	2.9
69.63676	2.4
70.06587	100.0
70.92777	0.4
71.06930	0.9
72.08160	1.1
73.02928	0.4
74.06075	9.4
74.15549	0.3
79.05480	0.6
81.03425	1.4
82.06565	0.8
83.04967	0.4
84.04474	2.1
84.08135	3.1
85.02893	4.5
86.09701	10.9
88.03998	0.7
88.96999	0.3
91.05465	0.7
95.04968	0.5
97.02909	1.4
97.06490	0.4
98.98463	9.0
98.99112	0.6
100.11301	0.4
101.07130	2.6
105.07051	0.6
109.02885	1.1
109.07624	0.5
110.07206	0.5
112.07568	0.6
114.40015	0.4
116.07081	10.3
120.08094	0.6
121.02924	0.4
123.04454	1.1
123.42030	0.4
124.07622	0.5
124.11234	0.4
125.05977	8.0
126.09137	1.1
127.03922	1.1
129.10252	1.4
130.05034	0.5
132.10201	2.8
140.07082	2.1
142.12256	1.0
143.11787	1.0
147.04440	1.0
151.03925	1.5
151.07472	2.1
153.10208	0.5
159.11499	0.5
163.03918	1.8
165.05510	1.3
167.07065	0.7
168.01202	1.3
168.06555	4.4
169.04977	1.4
169.08589	27.8
169.13402	0.5
171.11270	12.6
175.03748	0.4
181.04962	3.6
181.09752	1.7
187.14389	11.2
189.05423	0.8
193.04926	4.7
197.12914	0.9
199.10771	16.6
205.04941	0.6
207.06546	1.3
208.05154	1.9
211.06013	3.0
215.13844	3.0
217.11841	1.0
223.04192	0.5
229.04996	0.9
229.15483	0.9
233.14957	10.5
235.06001	3.9
243.13495	0.7
247.06041	4.1
252.97894	0.5
254.05795	0.5
259.06085	1.4
265.07156	0.5
269.08099	0.7
277.06931	0.9
295.08038	0.6
312.19147	0.9
315.08582	3.0
330.10907	2.5
330.20200	7.7
331.14297	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2685
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
53.03939	1.6
53.33847	0.9
55.01857	1.6
55.05510	39.6
55.51360	0.9
57.03187	1.2
57.03438	17.5
57.07076	22.0
67.05505	16.5
69.07069	51.2
70.99487	2.0
71.04990	1.8
71.08624	11.4
72.58163	1.0
73.06538	1.8
79.05489	10.0
81.07055	20.4
83.04967	3.5
83.08134	2.0
83.08618	35.8
85.06516	1.5
85.10177	4.3
87.04477	1.4
91.05463	3.8
93.07035	11.9
95.04963	1.5
95.08607	19.2
97.06539	9.6
97.10172	19.9
98.98463	100.0
101.05988	2.2
104.99265	1.5
105.07010	2.3
107.08586	9.9
109.10172	7.3
111.08076	7.5
111.11710	4.9
115.07555	3.0
116.99474	4.1
121.10140	12.2
123.11713	4.6
125.09633	5.3
129.01765	1.3
129.09119	1.2
133.10127	1.1
135.11710	11.0
137.13228	2.8
139.11180	7.0
143.10593	1.2
149.09653	1.2
149.13264	10.0
153.12721	4.2
163.14835	4.6
167.14262	2.8
174.99232	8.0
176.98912	3.9
177.16470	2.2
181.04890	1.7
181.15875	1.6
184.66022	1.0
195.17410	1.2
219.21080	8.8
237.22156	9.9
269.08060	1.2
285.07523	1.7
311.25797	8.7
313.07114	3.0
329.10239	12.4
329.23291	2.4
329.26831	60.2
330.10577	1.5
330.27020	1.9
330.30365	1.7
330.33514	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	15.3
56.94321	1.9
57.03428	6.4
57.07067	7.4
57.52644	2.4
61.02929	3.5
67.05510	12.0
68.99787	4.2
69.07063	17.5
71.08627	5.8
71.60635	3.2
74.18518	1.8
79.05481	12.9
81.07056	18.6
83.08620	13.8
85.10163	2.5
91.05470	2.6
93.07044	13.2
95.08595	12.6
97.06539	5.5
97.10162	7.9
98.98463	100.0
107.08583	10.3
109.10152	7.2
111.00809	2.8
111.08019	1.9
111.11711	3.1
116.99499	4.0
121.10145	17.3
123.11700	5.4
124.69447	1.9
125.09607	2.5
129.01849	19.6
130.02217	2.3
135.11678	13.9
136.20201	2.1
139.00267	5.8
144.23041	1.8
149.13309	6.5
149.56607	2.0
157.01326	8.7
163.14731	2.6
174.99200	7.7
176.99010	3.7
185.08125	5.8
194.90742	1.8
219.21068	15.8
222.89784	2.5
237.22147	10.8
240.90935	4.1
252.99652	2.1
255.23134	2.5
290.09247	2.1
306.92230	2.2
311.25781	6.6
329.20963	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	329.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.4
55.92139	0.6
56.31265	0.7
57.03436	71.5
57.07075	1.5
58.82309	0.6
61.02928	18.3
67.05501	1.2
69.07063	3.6
71.08612	0.8
75.04476	2.9
81.07044	0.9
83.08620	2.4
93.07038	1.4
95.08641	0.9
97.10149	1.6
98.98464	29.2
112.87703	0.8
116.99507	2.1
117.05493	100.0
118.05835	1.5
121.10159	0.9
135.11711	0.6
142.72151	0.6
162.48500	0.8
174.99229	1.8
320.35648	0.8
329.26837	5.7
330.33749	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	329.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
54.05529	0.6
55.01865	1.0
55.05504	1.7
56.58055	0.7
56.96553	1.5
59.04991	0.6
59.14473	0.6
67.05473	1.0
68.05017	2.1
69.03404	1.1
69.07069	2.5
70.06582	2.3
71.08633	6.9
71.58991	0.8
72.08165	0.8
74.02422	0.7
74.06081	0.8
79.05487	1.5
80.05047	1.0
81.03421	1.8
81.07050	2.2
81.17097	0.6
82.02943	9.2
82.06581	1.3
83.01332	1.6
83.04969	0.8
84.04502	6.1
84.08148	1.9
85.02908	2.1
86.09713	4.1
88.11269	1.3
91.05476	2.6
93.07045	2.6
94.06561	2.7
95.04958	0.9
95.08598	1.8
96.04492	100.0
96.83132	0.7
97.02872	1.0
97.04825	1.3
98.06039	1.4
98.98466	66.7
99.05621	0.9
100.03991	2.0
102.05544	11.4
105.07038	1.4
107.08613	1.4
108.04495	1.0
108.08118	0.8
110.06072	1.7
114.05547	2.2
116.98696	0.7
116.99517	2.6
120.08083	1.0
121.10130	1.4
122.06049	3.2
124.07591	1.0
124.11246	1.3
131.28966	0.8
132.04424	4.0
134.99606	0.8
136.07571	0.9
137.06015	1.6
140.07095	0.9
142.12289	2.2
143.08762	0.7
146.04488	5.6
148.03842	0.9
150.05516	9.9
152.07129	1.7
152.10709	60.7
154.12245	1.0
159.61635	1.0
160.04010	2.8
167.07042	0.9
168.06541	4.6
170.11772	8.1
172.13327	25.3
174.99268	5.3
176.98965	2.1
178.04974	6.9
180.06577	1.1
196.06027	1.2
204.06581	0.8
205.06145	1.4
206.04512	0.8
206.11763	0.9
208.05128	1.1
214.10707	0.9
214.14363	0.7
216.12352	8.0
223.07236	0.7
224.05531	1.7
235.14424	1.7
247.11894	1.4
247.14413	22.6
265.15475	9.0
267.17157	1.2
268.03601	1.0
269.08090	1.7
281.14944	3.4
293.14957	49.2
294.15448	1.0
297.07629	0.8
311.16031	13.8
313.12704	0.8
315.08569	4.1
329.10391	1.7
329.16046	4.1
330.10989	3.3
344.52328	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1017
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
67.05492	0.6
70.23129	1.6
76.72108	0.3
91.09545	0.3
95.04940	0.6
98.98463	39.6
105.03339	0.4
109.02869	0.5
111.04411	0.7
112.05212	0.3
112.11736	0.3
116.99500	1.5
123.04420	1.2
124.05188	1.1
124.20577	0.3
134.03621	1.4
135.04428	0.7
137.02338	1.1
138.84248	0.3
139.03870	2.4
147.04413	0.5
148.05177	0.4
149.02397	0.5
149.05937	0.8
151.03888	2.5
151.07509	0.6
152.04623	1.7
161.89957	0.3
163.03909	1.3
167.03407	3.6
168.04131	0.3
169.04916	0.6
174.99232	3.6
175.03871	0.8
176.98936	1.4
177.05446	2.2
179.03392	0.7
180.04161	3.5
181.04955	8.4
181.06517	0.7
197.05893	0.6
198.05193	5.2
198.06743	0.6
213.09129	0.7
215.07016	0.7
225.05505	0.7
226.06247	0.7
227.03568	0.4
227.07092	0.4
229.08560	1.1
230.09271	0.6
237.05423	0.4
239.07065	1.2
240.25827	0.3
241.08553	1.7
243.06519	1.5
252.99689	0.4
253.04956	0.9
254.05757	2.5
255.06744	0.5
257.08112	2.1
258.08783	0.6
267.06491	1.9
268.07312	0.7
269.08081	5.6
271.06061	1.7
273.11212	2.9
281.04431	0.7
282.05212	1.1
283.05923	1.9
284.06888	0.7
285.07529	9.2
285.10641	0.6
286.08304	0.9
295.06064	0.5
296.06787	3.5
297.07599	4.9
298.04718	0.9
299.05557	1.7
301.10632	0.4
313.07056	9.3
314.07822	14.5
316.05762	0.5
329.10181	100.0
330.10501	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1019
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
55.05518	0.7
56.96555	0.9
58.81400	0.6
67.05513	0.9
67.14191	0.6
71.60005	1.0
75.06734	0.6
75.93273	0.7
79.05449	0.9
79.11730	0.8
81.07042	0.8
93.07014	1.6
98.98460	67.4
100.98913	1.0
104.99238	1.0
113.12279	0.6
116.99453	3.3
119.40115	0.7
121.02852	0.8
124.08353	0.7
134.03580	0.7
139.41312	0.7
140.01033	1.1
167.03391	1.2
172.94640	0.7
174.99217	5.8
176.36908	0.7
176.98897	2.8
181.04910	1.7
181.10339	1.0
198.05241	0.8
256.07327	4.6
267.06732	1.0
269.08142	1.0
270.05402	0.8
271.05795	0.8
285.07550	13.3
286.08359	0.8
296.06961	0.8
297.07663	0.8
298.04669	1.5
299.05478	2.7
300.06311	5.0
311.05548	1.4
313.07040	54.4
314.07785	9.9
329.10168	100.0
329.13220	3.8
330.10641	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	329.123
Annotation	Androsin
Peak:m/z	Relative Intensity
52.10754	0.4
53.03923	0.6
55.01853	0.6
55.05494	2.0
56.05044	0.6
56.96560	0.7
57.03431	0.9
59.56653	0.4
60.04515	0.5
67.05495	1.1
68.99783	1.7
69.03449	2.1
69.07056	1.1
70.06591	8.2
71.06917	1.7
71.50087	0.7
72.08159	2.5
73.02901	0.6
73.08450	0.5
79.05482	1.1
81.03394	1.6
81.07043	3.0
83.04979	1.6
84.04497	1.3
84.08148	2.5
85.02917	2.8
85.06541	0.5
86.09707	4.0
91.05460	2.4
93.07049	2.3
95.04965	1.2
95.08611	0.6
97.02896	1.5
97.06509	0.6
98.98464	52.8
99.04446	0.7
103.03965	0.5
103.05442	1.1
105.07021	1.3
106.48605	0.5
106.74561	0.5
107.04931	1.3
107.08553	0.8
109.02865	0.8
109.06499	0.8
109.10147	0.6
110.07152	0.7
111.04436	0.5
112.76503	0.5
115.05483	0.4
116.98675	0.8
116.99496	2.2
119.04952	0.5
119.08519	0.7
120.08084	1.3
121.06493	8.8
121.10139	1.0
123.04475	0.7
123.08048	0.5
124.07565	0.5
125.06006	3.9
129.10226	1.4
135.08057	0.9
136.07570	1.7
137.05968	2.0
145.06432	0.7
145.10130	0.5
146.04646	0.5
146.05972	0.5
147.04398	1.5
149.05972	29.8
150.06297	0.6
153.05521	0.4
161.05959	0.9
163.07497	0.7
167.07037	100.0
168.07361	1.6
169.13324	0.9
170.11754	0.5
170.13713	1.1
173.05983	0.5
174.99231	4.1
175.07458	0.6
176.98949	1.8
177.05469	0.8
179.07016	1.4
187.07506	0.8
191.07065	3.1
197.12921	0.6
201.05443	0.6
203.03387	3.9
203.06993	0.7
208.05168	2.3
209.08064	1.1
211.03983	0.5
214.10709	0.9
215.06989	1.0
227.06891	0.5
230.12051	0.5
231.13402	0.6
233.08107	1.8
234.09695	0.5
241.08598	0.7
245.08044	1.3
254.05653	0.5
254.82330	0.4
257.08051	1.2
269.04559	0.8
269.08109	1.6
311.05420	0.5
315.08810	3.3
329.06799	1.0
329.10403	0.9
329.15787	5.3
330.10895	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1018
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
55.01862	0.3
55.05500	0.5
55.21902	0.2
61.06656	0.2
65.25333	0.2
67.05493	0.5
69.07050	0.8
70.54018	0.9
79.05479	0.5
81.03411	0.3
81.07066	0.2
83.04979	0.3
83.08581	0.3
85.49371	0.2
90.46610	0.3
91.05478	0.3
93.03395	0.5
93.07053	0.4
94.72246	0.2
95.04967	1.0
95.08639	0.4
96.05763	0.4
97.10120	0.3
98.98461	20.9
104.99258	0.4
105.03403	0.4
106.75882	0.3
107.04929	0.3
107.08566	0.4
109.06480	0.3
110.03618	0.3
111.04430	1.0
112.05244	0.4
116.99501	0.8
119.05030	0.3
121.02839	0.4
121.06448	0.4
122.03664	0.3
123.04435	1.2
124.05182	1.0
125.05924	0.4
129.03307	0.3
134.03607	2.1
135.04391	0.9
137.02287	1.2
139.03896	1.6
147.04431	0.4
149.02411	0.4
149.06018	0.8
151.03902	3.4
151.07474	0.4
152.04694	2.2
153.01781	0.4
153.06949	0.5
161.02318	0.6
162.03142	0.5
163.03941	0.9
165.01837	0.5
167.03392	4.3
169.04948	0.9
174.99216	1.4
175.03911	1.2
176.98895	0.8
177.05498	2.5
179.03400	0.7
180.04164	3.9
181.04962	8.3
181.06386	0.4
182.07201	0.3
183.08124	0.4
185.09625	0.3
189.11188	0.3
195.08107	0.3
197.05920	0.4
198.05226	6.2
198.06799	0.6
207.06563	0.3
211.07507	0.6
213.09097	0.7
215.07031	0.5
225.05344	0.4
226.06274	0.9
227.03511	0.4
227.07001	0.9
229.08559	0.9
239.07040	1.4
240.07526	0.3
241.08615	2.1
243.06517	1.9
253.05040	0.8
254.05701	2.9
255.06474	0.4
257.08133	2.0
258.08759	0.6
267.06458	2.0
268.07300	0.8
269.08075	6.4
271.06073	1.7
273.11237	3.0
276.20563	0.3
281.04391	0.6
282.05228	1.0
283.05981	2.1
284.06693	0.7
285.07559	11.0
286.08380	1.0
295.05988	0.7
296.06750	3.9
297.07581	5.3
298.04825	0.5
299.05450	2.2
311.09406	0.4
313.07040	9.8
314.07803	15.5
316.05707	0.7
329.10168	100.0
330.10468	2.4
333.67526	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.3
55.05259	2.5
55.05510	32.5
56.96548	3.6
57.07053	1.6
59.04988	1.5
67.05502	9.6
69.03413	4.0
69.07068	14.6
71.00307	5.0
71.85118	1.6
78.62202	1.7
79.05488	22.6
81.07052	10.9
83.04989	5.3
83.08616	19.5
85.06528	2.1
91.05473	14.2
93.07040	5.5
95.04988	3.2
95.08622	4.9
97.10171	43.6
98.98464	100.0
101.09658	2.0
105.07032	8.7
107.08594	50.7
109.10152	3.3
116.99496	5.7
117.06989	3.1
119.08598	5.9
121.10141	2.6
123.11663	2.1
125.09632	33.8
130.93286	3.1
133.10121	5.0
135.08066	4.6
137.05992	2.9
138.06195	2.0
143.10690	2.9
145.10178	5.3
147.11696	4.4
148.94395	2.4
149.09581	2.7
159.11624	2.2
159.47815	1.9
161.13211	2.2
171.10118	2.6
172.94421	3.5
174.99194	8.8
176.98912	3.4
189.11208	54.7
190.95425	14.9
193.75380	1.7
208.96458	11.5
229.19327	2.0
232.65318	1.7
232.96439	15.7
239.17886	2.1
250.97464	14.6
257.18997	6.0
275.20026	43.5
280.95084	3.4
293.21246	3.4
322.85468	1.7
329.02823	4.4
329.10147	5.3
346.60468	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00048	1.4
55.05503	7.0
56.05031	1.6
57.26091	1.8
67.05499	12.0
69.07066	3.6
71.04987	2.2
79.05489	10.6
81.03413	2.1
81.07040	7.8
82.28152	1.3
83.08604	4.1
89.95931	1.5
91.05463	7.4
93.07054	11.5
95.04974	3.1
95.08578	5.7
97.10161	2.5
98.98464	100.0
105.07029	3.5
107.08582	4.8
109.10130	5.9
116.98619	1.5
116.99490	3.4
119.08570	4.4
121.10144	4.3
125.09664	2.0
131.08557	2.6
133.10107	3.6
137.05977	2.0
137.09622	3.3
140.01100	3.3
145.10146	2.6
147.11584	1.9
172.94383	3.2
173.11723	2.2
174.76785	1.3
174.99159	8.0
176.98907	2.3
189.11223	3.2
190.95399	13.1
208.96454	9.9
214.50911	1.5
214.95337	2.7
229.17990	1.9
232.96458	14.1
232.98648	2.0
250.97554	10.1
262.93976	2.5
275.19858	3.5
298.96097	2.3
329.10120	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	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.5
56.96568	3.2
58.55569	1.0
59.32490	0.9
67.05501	13.2
68.76060	1.2
69.07051	4.1
69.86092	2.1
69.86502	5.0
71.04972	1.9
71.37495	1.1
78.69696	1.1
79.05490	9.2
81.03424	1.3
81.07061	9.4
83.04954	1.5
83.08620	2.1
86.67348	1.1
91.05476	8.0
93.07032	8.2
95.04963	4.4
95.08599	5.9
97.10172	2.9
98.98461	100.0
104.29362	1.0
105.07018	4.1
106.14822	1.1
107.04961	1.6
107.08586	5.1
109.06523	1.1
109.10152	6.9
116.98613	2.5
116.99496	3.2
117.06967	2.2
119.04971	1.2
119.08575	3.0
121.10141	6.0
125.09628	1.7
128.07971	1.3
129.06906	1.2
133.10103	3.6
134.03653	1.1
134.99670	2.2
137.09621	3.1
139.03947	1.5
147.11679	2.4
151.03932	1.3
152.04665	1.3
154.12294	1.7
159.11690	1.6
167.03415	1.4
172.13403	1.2
173.11740	3.9
174.99234	8.8
176.98917	3.5
177.05496	1.4
180.04114	2.0
181.04964	5.1
190.95427	5.8
198.05261	4.2
208.96553	2.7
232.96481	4.1
242.11403	1.4
243.06480	1.4
250.97554	4.7
253.30684	1.2
269.08105	3.8
275.20197	2.8
285.07516	6.9
286.13974	2.5
296.06757	3.1
297.07492	3.1
299.05588	1.4
313.07071	7.9
314.07709	8.4
328.09460	1.2
328.15170	5.7
328.28510	5.7
329.10172	59.9
348.85660	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24808	1.2
53.03941	5.3
53.06696	1.3
55.01854	1.8
55.05518	11.8
56.96562	3.7
57.03440	1.6
57.07072	2.9
59.54702	1.2
67.05166	2.7
67.05499	35.3
69.03447	3.0
69.07062	13.6
70.06596	1.8
70.98514	1.4
71.04977	3.3
71.05311	3.3
79.05487	83.0
79.08862	1.6
81.03415	3.7
81.07053	43.1
83.04961	4.2
85.06541	2.7
91.05476	48.9
93.07040	82.5
94.07368	1.9
95.04967	26.6
95.08607	3.6
97.06526	5.0
98.97630	3.5
98.98462	100.0
100.98866	1.5
102.05399	1.3
102.78233	1.6
103.05448	9.9
105.04488	2.9
105.07023	30.1
107.04949	32.6
107.08589	35.9
109.06509	38.4
115.05466	3.0
116.10687	1.7
116.98646	3.7
116.99492	7.6
117.07007	23.8
119.07775	2.0
119.08573	16.0
120.08096	66.3
121.06503	30.3
121.10128	5.6
123.03188	1.7
128.06247	2.4
129.07042	2.7
130.07797	9.8
131.04921	2.2
131.08650	1.8
132.08099	2.1
133.10104	6.8
134.99672	3.8
135.08104	3.6
135.11684	44.0
137.05983	2.4
143.08537	4.1
145.10120	59.5
149.05975	2.4
163.07492	1.7
163.11188	25.5
166.08635	47.3
169.64519	1.5
174.99187	7.6
176.98943	3.6
177.00703	1.5
189.41144	1.4
190.95398	4.3
193.95033	1.4
203.17307	1.6
208.96539	1.8
232.96413	3.7
237.02773	3.6
246.14934	2.1
250.97552	4.3
282.18539	3.6
296.10110	1.8
328.15793	1.4
328.19064	25.0
329.10220	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.0
55.01869	3.6
55.05514	15.1
57.03423	5.0
57.07066	6.5
67.05502	30.8
68.96283	3.4
68.99797	3.3
69.07058	17.4
69.28121	38.1
71.04986	4.6
74.28243	3.2
76.36419	2.6
79.05489	28.2
81.07060	36.0
83.04951	3.5
83.08605	6.4
85.06522	4.3
91.05489	46.1
93.07037	83.3
95.04964	99.7
95.08602	55.0
97.06538	21.1
98.98463	100.0
105.07027	69.6
107.04963	3.6
107.08589	44.7
109.06503	11.9
109.10153	23.4
115.05424	5.5
116.99529	4.3
117.06999	20.1
119.08569	62.7
121.06493	18.1
121.10146	41.4
123.08064	13.2
123.11700	8.2
128.06209	6.7
129.06999	14.4
130.07767	5.3
131.08562	32.0
133.06476	3.7
133.10126	48.4
135.08040	14.1
135.11674	13.8
137.09604	7.3
141.06975	6.9
142.07787	14.0
143.08540	21.7
144.09352	5.0
145.10124	47.9
147.11684	16.1
149.09633	7.6
152.06198	9.4
153.06949	7.9
155.08582	7.7
156.09337	12.3
157.10146	30.6
158.10840	3.9
159.08005	6.3
159.11693	38.2
161.09601	14.4
161.13242	8.3
163.11205	4.6
167.08575	5.5
168.05704	4.7
169.10091	19.4
170.10916	3.9
171.11665	18.6
173.13261	14.6
174.99242	13.2
175.11220	4.5
175.14810	17.4
179.08530	4.5
181.10109	4.2
182.11023	4.0
183.11688	10.7
184.12383	3.7
185.13263	9.3
187.11226	7.6
187.14803	20.4
189.12704	3.1
194.10710	4.5
195.11652	9.1
197.13274	12.7
199.14839	9.7
201.16367	7.3
205.15955	4.2
207.11781	4.5
209.13216	10.1
211.14876	7.8
213.16330	6.3
215.14328	6.0
220.12563	3.9
223.14888	3.6
225.16425	8.3
228.09346	3.4
233.03636	9.4
235.14871	7.9
239.18025	6.8
251.04614	3.4
253.15913	6.7
295.17297	3.0
309.22162	6.3
327.07828	39.4
327.23251	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01855	2.3
55.05519	7.6
57.03425	1.5
57.07054	4.2
62.66726	1.3
67.05505	17.4
69.03422	1.6
69.07065	10.6
71.04986	1.2
71.08636	1.8
72.37116	1.2
79.05488	10.3
81.03410	2.5
81.07053	16.4
83.08603	4.5
85.06560	3.0
91.05476	21.1
93.07043	39.7
94.07327	1.3
95.04965	45.4
95.08601	31.9
97.06522	9.1
97.10136	1.4
98.98463	100.0
103.05471	2.4
105.07024	37.0
107.04937	1.5
107.08598	19.4
109.06521	5.4
109.10151	12.4
115.05433	1.7
116.99501	4.1
117.07000	8.6
119.08573	35.7
119.09452	1.7
121.06512	9.6
121.10136	17.7
123.08076	7.8
123.11723	4.3
128.06221	4.5
129.06996	6.3
130.07817	2.5
131.08553	13.3
133.06497	2.9
133.09235	1.9
133.10130	26.8
135.08066	6.7
135.11671	6.8
137.05943	4.8
137.09604	4.1
140.01007	1.5
141.06998	2.6
142.07762	5.4
143.08560	11.9
144.09337	4.1
145.06474	2.2
145.10121	23.2
147.08026	2.5
147.11667	8.3
149.09599	1.4
152.06186	3.2
153.06982	4.3
155.08559	5.9
156.09351	3.1
157.10132	15.3
158.10806	2.2
159.08154	2.1
159.11688	23.9
161.09636	6.8
161.13264	3.1
163.07556	3.0
163.11241	1.6
167.08565	2.2
169.10120	9.5
170.10927	3.4
171.11722	7.8
172.12465	2.1
173.09601	1.9
173.13168	9.8
174.99229	9.9
175.14815	12.7
179.08572	2.6
181.10143	3.0
182.10904	2.0
183.11681	6.0
184.12416	1.5
185.09688	1.5
185.13261	6.8
187.11145	3.1
187.14804	7.7
189.12929	1.9
189.16423	2.2
190.95271	1.8
193.10121	1.6
194.10963	1.9
195.11691	2.7
196.12401	1.4
197.13248	6.7
199.14781	5.8
201.12781	2.1
201.16328	3.2
207.11679	2.2
208.96413	1.6
209.13275	4.8
211.14784	5.3
213.16295	2.2
215.14360	1.8
217.15868	3.0
221.13231	1.7
223.14902	1.6
225.16324	2.8
227.14285	2.1
229.15833	1.5
232.96413	2.0
233.03731	2.3
235.14873	3.0
243.17230	1.5
249.16364	1.4
251.04539	1.8
265.19504	2.0
268.18246	1.4
291.21011	3.1
309.22162	5.0
327.07703	11.7
327.22995	7.9
327.33630	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90123	1.3
52.26926	1.3
53.03934	2.2
53.20678	1.3
55.05502	3.1
57.07061	2.3
59.76813	1.2
62.01830	1.1
67.05486	4.7
69.07063	4.5
71.08614	5.6
72.08147	2.4
77.70296	1.2
79.05505	3.1
81.03398	1.7
81.07059	7.8
83.08631	1.8
86.70792	1.2
91.05479	1.9
93.07036	3.1
95.04948	5.9
95.08596	5.6
98.98463	100.0
99.08089	2.3
105.07017	3.5
107.08589	2.6
109.06490	2.2
109.10165	2.0
112.54846	1.3
116.98713	1.3
116.99490	5.4
119.08565	3.7
121.10158	1.6
131.04855	1.8
131.08571	1.7
133.06511	2.5
133.10091	1.4
135.07991	2.0
137.05981	4.7
140.01067	2.7
147.11615	1.4
152.06210	8.1
153.06981	5.5
155.08464	2.1
157.10094	2.0
161.03624	1.3
161.13216	1.9
163.07523	3.7
165.12778	1.9
174.99251	12.3
177.77913	1.1
179.61482	1.2
190.95349	3.3
208.96382	2.8
228.09380	1.8
232.96506	3.7
233.03549	7.5
250.97493	3.2
250.99905	1.7
251.04671	3.8
287.11444	1.6
291.23166	6.2
309.24194	33.7
327.07813	27.2
328.08304	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	327.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.4
51.94329	0.3
53.03941	0.4
55.01865	1.3
55.05519	0.6
55.43353	0.4
56.96558	0.5
57.07072	0.3
65.03902	0.5
67.05489	1.2
69.03424	0.7
70.06580	0.6
70.39343	0.7
70.39735	0.6
71.04994	0.4
72.08132	0.6
73.13071	0.4
79.05494	3.1
81.03441	0.6
81.07055	1.5
83.04996	0.4
84.08108	0.4
86.09689	1.0
90.15301	0.3
91.05486	5.1
93.07045	1.4
94.04189	3.2
95.04966	1.4
95.08594	1.3
96.04485	0.5
97.02851	0.4
98.98466	21.2
103.05470	18.7
104.05768	0.5
105.07034	10.9
107.04974	3.5
107.08593	0.5
109.02850	0.4
109.06510	3.0
109.10172	0.6
113.06010	0.3
115.05467	2.3
116.99479	0.8
117.07014	2.2
119.04911	1.2
119.08575	1.0
119.51223	0.4
120.05717	0.6
121.06499	6.6
121.10120	0.4
122.03644	8.5
123.04418	0.6
123.08051	1.1
128.06238	1.3
129.06984	1.0
131.04930	22.2
131.08575	0.4
132.04312	0.6
133.06493	37.6
135.08051	13.4
135.09103	0.4
136.05212	0.8
137.05977	100.0
138.06297	1.2
143.04907	1.0
143.08574	0.8
145.06493	8.0
147.04428	0.5
147.08044	2.4
149.05972	2.6
151.07544	13.2
153.07001	0.4
157.06482	2.6
159.08047	0.6
160.05153	0.7
161.06006	0.7
162.06770	0.5
163.07541	56.1
164.07854	0.7
165.05345	0.4
165.06990	0.4
169.06531	0.5
171.08018	1.9
174.06819	0.8
174.99231	2.3
175.07545	3.5
177.09056	1.8
179.08542	0.7
187.07535	1.6
188.08282	1.0
189.06960	0.4
189.09091	2.1
191.05521	1.4
191.08313	0.6
202.07790	0.8
203.10680	1.8
207.07990	0.8
207.11638	0.6
217.10147	0.8
219.08060	0.6
220.08838	0.8
234.06712	0.5
235.11087	1.9
239.10991	1.5
245.09589	1.6
248.08344	0.7
251.00063	0.6
263.10687	4.4
265.08813	0.6
280.10846	0.6
283.09659	1.1
295.10260	0.4
295.13287	10.0
296.13571	0.7
312.13544	0.6
327.12875	4.2
327.15939	7.1
328.16061	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03910	0.6
51.64348	0.5
54.60133	0.5
55.01862	1.0
55.05492	0.9
57.03436	0.7
63.50816	0.5
67.05474	1.4
69.03420	1.7
69.07056	1.1
71.59160	1.1
79.05492	3.6
81.07031	3.7
83.04975	1.3
83.08582	0.9
84.08110	0.9
86.09683	0.8
87.04475	0.6
91.05473	6.5
93.07043	4.7
94.04166	2.4
95.04973	3.0
95.08590	2.2
97.06532	0.7
98.98457	30.4
101.37027	0.6
103.05461	22.4
105.07022	10.8
107.04944	4.0
107.08590	1.0
109.02878	0.8
109.06528	3.2
109.10172	0.7
111.08018	0.8
113.05978	0.7
115.05452	1.6
116.99506	1.5
117.07015	2.8
119.04939	1.8
119.08540	1.2
121.06492	8.9
121.10147	1.1
122.03639	6.9
123.04416	1.0
123.08044	1.5
128.06248	0.7
129.07021	1.0
131.04921	23.8
133.06482	38.8
133.10052	0.9
135.08034	13.3
135.08983	1.0
135.11678	1.3
137.05968	100.0
138.06322	1.3
139.07489	1.2
143.04898	1.3
143.08563	0.9
144.05618	0.7
144.61984	0.7
145.06470	7.7
147.04466	0.8
147.08058	2.4
149.05952	2.7
151.07535	11.2
157.06537	3.5
159.08060	0.7
160.73645	0.6
162.06752	0.8
163.07530	56.7
164.07864	1.1
169.06569	0.7
171.08017	1.1
174.99185	3.9
175.07565	4.3
177.09079	1.5
177.12627	1.0
187.07524	2.2
189.07547	0.5
189.09129	2.5
195.13863	1.6
202.07718	0.9
203.10677	2.2
207.08067	1.1
217.10233	1.0
219.08041	0.8
220.08813	1.4
235.07584	0.7
235.11177	2.3
235.55705	0.6
241.14320	2.2
245.09532	1.4
248.08566	0.6
252.07756	0.6
261.58624	0.6
263.07422	0.5
263.07953	0.5
263.10638	4.2
283.09552	0.6
295.09888	0.7
295.13217	10.0
309.13550	1.1
327.05164	2.0
327.12280	1.1
327.16003	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	327.1587
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03934	0.7
55.01863	0.9
55.05498	0.8
60.15150	0.4
65.03933	0.5
66.04716	0.7
67.05492	0.9
68.99763	0.7
69.03432	0.8
69.07048	0.7
70.06574	1.1
70.88654	1.0
71.04990	0.6
73.87389	0.5
79.05489	4.2
81.03420	1.0
81.07056	2.4
83.04942	0.7
86.09699	0.7
91.05472	6.2
93.07030	2.0
94.04180	2.8
95.04964	2.2
95.08599	0.8
98.98458	30.0
103.05453	18.3
105.07019	8.9
107.04932	5.6
107.08563	0.9
109.06498	3.8
109.10200	0.8
115.05448	1.7
116.99484	1.4
117.07045	2.5
119.04950	1.2
119.08581	1.2
120.05733	0.8
121.06500	6.9
121.72022	0.5
122.03645	7.4
123.04385	1.1
123.08031	0.6
128.06230	1.3
129.06999	1.4
131.04915	23.1
131.08505	1.0
133.06480	32.2
134.06865	0.7
135.07088	0.9
135.08044	10.3
136.05212	1.2
137.05966	100.0
138.06311	1.1
143.04933	1.2
143.08577	0.6
144.05702	0.6
145.06462	8.5
147.04417	1.1
147.08011	2.5
149.05975	1.3
151.07536	13.5
153.05383	0.6
157.06462	3.7
160.05098	0.8
161.05933	0.7
162.06754	0.9
163.07527	44.2
164.07901	0.6
165.09084	0.5
171.08044	1.6
174.99232	3.9
175.07526	4.4
177.09052	1.4
181.06555	0.6
187.07545	2.0
189.09100	2.2
202.07748	0.7
203.08820	0.6
203.10652	2.1
207.08119	1.2
207.11850	0.5
217.10181	0.8
219.07948	0.8
220.08862	0.9
229.03033	0.6
235.07420	0.6
235.11157	2.2
235.13222	1.1
236.08208	0.6
245.09651	1.6
248.08316	0.6
263.10635	5.0
277.08505	0.8
295.13248	11.8
316.94778	0.7
327.10315	4.7
327.15875	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	327.1589
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03943	0.7
55.01859	1.1
55.54295	0.5
56.05035	0.5
56.77062	0.5
56.96548	0.6
67.05489	1.1
69.03419	1.2
69.04597	0.5
70.06576	1.5
71.59392	0.7
72.08142	0.5
74.04902	0.4
77.03938	0.5
79.05476	3.9
81.03407	1.6
81.07059	2.3
83.04973	0.5
84.08128	1.6
85.06505	0.5
86.09698	0.8
87.54532	0.5
91.05477	7.4
93.07024	1.5
94.04170	2.5
95.04960	2.9
95.08612	1.1
97.02882	0.7
98.98461	32.5
99.04478	0.5
100.92860	0.5
103.05463	20.5
105.07024	10.9
107.04951	3.9
107.08597	0.8
108.05728	0.6
109.06512	2.6
115.05424	1.5
116.98656	0.7
116.99500	1.9
117.06992	2.9
119.04945	1.9
119.08577	1.1
120.08114	1.3
121.06500	6.5
122.03641	6.4
123.04460	0.7
123.08051	1.0
128.06192	1.1
129.06978	1.1
131.04919	21.8
131.08505	0.6
133.06483	35.4
134.06798	0.6
135.08047	11.9
136.05185	0.8
136.07570	1.4
137.05968	100.0
137.71161	0.6
138.06290	1.7
143.04880	1.1
143.08571	0.7
145.06476	9.4
147.04433	1.6
147.08044	2.8
149.05981	2.2
151.07530	11.8
155.06036	0.6
157.06485	2.9
160.05243	0.6
161.05914	0.9
162.06720	0.7
163.07533	56.2
164.07912	1.7
164.96986	0.6
165.05452	0.8
165.09114	1.0
171.08018	1.5
174.06772	0.6
174.99178	3.3
175.03889	0.7
175.07541	3.6
177.09149	1.7
179.08481	0.6
187.07558	1.8
189.09053	2.4
203.10718	1.9
207.06551	1.4
207.08214	0.9
217.10223	0.8
220.08861	0.9
229.49139	0.5
235.11176	2.2
245.09654	1.8
248.08357	1.0
263.10635	4.3
295.13281	9.4
327.12347	1.2
327.15915	7.7
327.19818	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.159
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03937	0.7
55.01855	1.1
55.05507	1.1
56.96556	0.9
61.89617	0.4
67.05491	1.4
69.03414	1.0
69.07072	0.6
71.59962	0.7
79.05485	4.3
81.03411	0.9
81.07054	2.7
84.25316	0.4
85.02872	0.6
91.05480	5.4
93.07023	1.7
94.04191	3.4
95.04938	2.1
95.08607	1.3
98.98463	41.4
100.11208	0.7
101.89174	0.5
103.05463	20.2
105.06433	0.4
105.07028	10.0
107.04936	2.9
107.08594	1.2
108.05746	0.7
109.06498	2.8
109.10120	0.7
110.02368	0.5
111.04399	0.6
115.05415	2.2
116.98668	0.6
116.99429	2.3
117.07033	2.5
119.04919	1.6
119.08591	1.1
120.05735	0.8
121.02882	0.5
121.06501	6.0
121.10162	0.6
122.03651	7.5
123.04444	0.8
123.08057	2.0
127.01987	0.4
128.06236	1.0
129.06989	1.0
131.04930	24.7
131.08549	0.5
133.06488	37.1
135.08052	12.9
137.05972	100.0
138.06303	1.4
141.06993	0.6
143.04907	1.3
143.08553	1.1
144.05682	0.8
145.06494	7.9
147.04471	0.6
147.08011	2.6
147.11722	0.5
149.05992	1.6
151.03891	0.6
151.07539	12.4
157.06462	3.1
160.05206	0.5
161.05960	0.7
162.06825	1.0
163.07544	54.7
163.28220	0.5
164.07889	1.0
165.09081	0.7
171.08063	1.2
174.99226	3.9
175.07518	3.7
177.09128	1.6
179.08554	0.9
187.07587	2.0
189.09116	1.7
190.52980	0.5
202.07814	0.8
203.10683	1.8
207.08000	1.1
217.10129	1.5
220.08882	1.3
221.09515	0.5
234.74998	0.5
235.07526	1.0
235.11189	1.8
245.09578	1.3
248.08270	0.6
263.10599	3.8
267.10211	0.7
277.08453	2.2
286.14319	0.6
295.09943	0.8
295.13242	10.3
309.11301	0.6
327.08615	0.6
327.12225	1.8
327.16171	6.4
333.10873	0.5
349.10507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03455	2.3
55.05500	2.2
56.96548	1.7
60.04516	1.7
65.03935	2.4
67.04243	12.3
67.05480	6.2
69.03417	2.5
70.06581	3.1
70.71350	2.1
72.04500	2.3
74.02436	5.4
80.05014	5.8
81.03397	2.4
82.02931	1.4
82.06573	100.0
82.99879	1.3
83.06847	1.5
84.04510	2.3
84.08134	1.7
84.56184	1.1
86.18386	1.0
86.22163	1.0
86.33353	1.0
88.03986	3.2
91.05480	1.8
92.04996	3.6
93.05768	3.4
94.06541	3.6
96.08116	1.8
98.06046	1.3
98.98457	15.2
99.05600	1.8
100.03972	2.6
100.07606	4.8
101.00892	2.3
105.07024	1.3
106.06521	2.4
108.08060	2.4
109.07626	1.4
110.06036	1.8
110.07152	1.8
112.02446	6.6
117.39522	0.9
118.04999	2.0
118.91438	1.1
119.01911	13.0
120.08083	1.5
121.06489	1.0
121.07578	1.4
128.00304	1.4
130.03484	19.3
132.01419	3.3
133.03549	1.6
134.09677	1.1
136.07550	2.8
137.02960	4.1
138.05507	3.4
138.09131	1.2
139.08688	1.4
145.06050	1.3
146.01309	2.7
146.04483	3.4
147.08102	1.2
147.09189	3.4
148.04547	2.0
156.01390	7.6
156.05099	1.5
157.03436	5.6
157.04643	4.9
159.05017	2.4
160.04442	1.2
161.03041	1.1
163.03915	2.2
164.07045	1.1
164.10692	1.7
165.10216	1.9
168.05066	1.7
172.08255	1.8
173.02394	1.7
174.02470	35.7
174.99225	2.4
175.02531	1.2
175.04448	2.5
175.05743	1.7
175.07104	11.0
176.02296	1.1
178.07008	1.8
181.09729	2.1
182.06650	1.5
182.08156	3.0
182.12946	1.7
186.06123	2.5
189.03589	3.4
192.03569	7.5
193.08218	2.8
194.06573	2.3
196.04549	1.8
199.05614	9.6
200.04025	7.6
200.09164	2.7
200.98596	1.7
201.02437	7.9
209.09207	4.4
210.06084	3.4
213.03603	1.5
214.05618	2.3
218.05130	3.1
219.03107	1.1
220.04576	3.4
221.07700	11.9
223.09308	3.6
227.05156	3.8
228.08772	6.0
230.11040	1.2
231.04677	2.6
238.05595	21.2
239.08737	18.3
245.06206	17.9
246.04477	5.5
256.06696	3.1
263.08734	3.4
267.08267	9.5
271.46484	1.1
275.74783	1.5
278.09180	1.2
281.09784	2.1
285.09250	13.4
291.08209	6.3
295.87027	1.1
309.09329	15.9
327.06744	2.2
327.10434	5.0
327.16153	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.3
55.01864	2.0
55.05508	1.7
56.05029	2.8
57.81646	1.0
58.06600	2.1
59.28096	1.0
65.03924	2.4
67.05510	2.5
68.05042	2.0
69.03419	1.4
69.07056	1.1
70.06599	11.1
71.34479	1.5
72.04512	7.4
72.08145	3.9
74.02444	26.2
74.21576	1.1
79.05486	9.8
80.05005	2.1
80.34831	1.0
81.03403	6.5
81.05810	2.4
81.07010	1.2
82.02956	6.3
82.03756	1.0
82.06590	6.9
83.04975	2.1
84.04508	5.6
84.08138	6.0
85.02919	1.3
86.09716	2.5
91.05484	94.5
92.38960	1.1
93.07058	6.7
94.06569	6.5
95.04963	1.9
95.08617	1.3
96.04530	1.1
96.08128	10.3
97.02967	1.0
98.98465	47.2
99.05576	13.7
100.03989	11.4
102.37177	1.1
103.05468	3.7
104.06241	2.1
105.07028	4.7
106.06564	6.3
107.04984	1.1
107.07343	1.5
107.08573	1.9
108.08126	8.9
109.06533	1.5
109.10173	1.2
110.06033	1.3
115.05456	5.7
116.99516	2.1
117.07027	58.5
118.05039	10.3
118.06539	2.7
119.08582	100.0
120.08103	3.4
120.08879	1.2
121.06487	1.8
128.06276	4.9
129.07008	31.3
130.05000	1.5
131.07317	2.9
133.06464	1.3
134.09666	2.9
135.08054	1.5
135.10391	1.2
136.07584	4.2
136.11214	10.7
137.05984	3.0
144.08081	1.3
145.06117	3.3
146.04483	23.5
146.09662	12.0
147.08054	11.8
152.07056	1.0
162.09183	1.1
163.07181	5.7
164.05524	1.6
164.10721	86.1
165.09178	2.1
165.11014	1.4
174.99217	6.6
182.11768	19.8
208.02913	1.2
214.11847	1.2
228.10147	1.6
245.12875	4.5
263.13889	2.3
291.13287	10.1
292.11682	2.7
309.14465	43.9
310.12668	1.8
327.15512	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	326.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.7
56.05017	1.9
56.96544	2.0
60.04507	1.7
65.03951	2.0
67.05455	1.6
68.05013	1.3
69.03429	3.2
69.07066	1.5
69.93468	4.5
69.93875	2.0
70.06587	67.1
70.46573	1.2
72.04507	1.9
72.08146	7.5
73.02897	1.8
74.02421	2.5
79.05489	1.7
80.05011	1.9
81.03406	8.5
81.07083	2.1
82.02917	3.6
82.03755	2.4
82.06590	6.3
82.47845	1.2
83.01337	2.0
83.03243	1.3
83.04974	31.4
83.06901	2.1
84.04504	4.1
84.08144	11.3
85.02901	6.3
86.09698	12.7
87.00795	1.5
88.03984	1.4
91.05468	4.5
93.07041	1.5
94.06583	1.8
95.52301	1.2
97.02894	3.8
98.06060	9.3
98.98460	100.0
99.05566	8.5
99.09215	14.0
100.03982	4.1
100.07600	9.2
105.01854	3.5
108.08125	6.3
109.02888	2.2
109.07634	29.3
110.07160	2.8
111.08077	3.5
113.28373	1.5
116.07071	12.3
116.99491	6.2
118.05034	1.4
119.08559	3.8
120.08096	3.7
122.05984	1.3
125.06023	1.7
126.09085	1.6
127.03889	4.4
127.04929	1.6
128.03381	2.4
130.05014	2.1
135.09171	4.3
136.04750	1.4
136.07623	6.6
136.08446	1.2
138.09131	4.3
145.05000	1.4
146.04428	7.4
146.09431	1.3
148.07605	1.6
153.10228	3.3
155.08127	10.7
159.04472	1.8
163.02722	1.5
163.03914	5.4
163.07367	1.6
163.08597	6.4
164.04256	2.5
164.07048	4.7
164.10719	4.0
165.10362	1.5
167.06978	1.4
173.05579	5.4
174.99213	14.0
180.11340	2.5
181.09770	4.4
182.08096	1.8
183.14903	9.9
184.09805	2.1
191.05766	1.3
199.10767	60.9
202.08769	1.6
209.09169	3.3
210.07516	1.9
211.14429	12.1
213.12297	24.0
226.11783	2.4
227.10237	44.8
228.08720	1.6
244.12918	81.5
245.13171	1.8
250.99844	2.6
252.05002	2.0
282.13599	1.3
309.14542	2.5
326.08920	1.6
326.13403	2.0
326.16949	13.0
326.20770	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	325.2372
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
54.84093	1.0
55.01857	1.9
55.05513	11.1
57.03434	1.4
57.07064	2.2
62.66712	0.8
67.05494	9.0
69.03436	2.3
69.07063	14.6
69.59168	7.8
71.04984	1.9
71.08629	16.1
71.63908	1.0
79.05491	8.7
81.07057	19.2
83.04978	1.8
83.08619	3.3
85.06522	1.9
91.05487	5.5
93.07042	9.9
95.04955	6.2
95.08610	14.6
97.02887	1.1
97.06519	4.5
97.10157	2.7
99.08095	16.1
105.07013	7.5
107.08603	8.0
109.06522	20.7
109.10120	4.7
117.06988	1.4
119.08566	5.2
121.05762	1.0
121.06489	5.6
121.10136	5.3
123.08037	4.1
123.11659	1.6
127.07552	1.2
131.08562	4.3
133.10123	3.0
135.08034	2.8
135.11736	1.3
139.11171	4.6
141.09129	2.1
142.06367	1.1
145.10150	3.2
147.11673	2.7
149.09666	1.8
151.11168	1.2
151.14815	1.0
161.13286	1.4
163.11134	3.2
163.14821	2.0
165.11377	2.1
165.12750	41.8
168.84390	1.0
169.10097	1.3
173.13257	2.3
175.14850	1.3
177.12711	3.9
179.14268	1.8
181.15871	10.9
187.14827	2.1
188.05998	1.2
191.14270	2.6
201.12686	1.2
205.15974	1.3
209.15346	2.4
233.15279	1.6
251.16467	5.4
251.23650	2.6
261.22128	17.3
271.20569	2.8
279.23172	6.6
289.21606	44.9
290.21924	1.4
307.22659	100.0
308.22940	3.4
311.46976	1.1
325.26016	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09554	2.5
55.05513	2.6
56.96558	10.4
63.15850	2.3
63.25893	2.2
65.29425	2.3
69.07050	2.4
70.72153	6.2
87.20383	2.3
91.05482	2.8
92.42609	2.6
98.98464	100.0
105.06956	2.6
107.04984	3.1
116.98490	3.2
131.00005	4.3
137.05975	5.2
138.06276	5.5
142.99965	4.3
146.57433	2.4
155.00047	2.4
173.14677	2.4
174.99130	19.6
185.01082	5.2
189.00526	15.4
203.02269	2.6
241.11067	7.6
259.12189	11.4
284.10052	2.8
285.06339	23.9
285.10046	12.1
303.11203	4.8
326.34192	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	326.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.8
53.03936	6.3
55.01839	1.5
55.05506	15.3
57.03424	5.1
57.07055	7.4
65.03927	2.2
66.56790	1.4
67.05502	55.3
69.03407	3.7
69.07069	20.5
70.02897	1.5
70.06585	14.3
71.04965	3.6
72.04491	3.7
72.08145	9.4
72.33641	1.6
73.29675	1.6
74.02437	8.7
79.05489	100.0
79.05954	4.6
81.03420	9.3
81.07056	55.9
82.02911	4.0
82.06554	5.9
83.04966	6.0
84.04475	1.9
84.08128	6.9
86.09711	9.4
88.03934	2.4
91.05478	55.9
93.07038	95.7
94.06570	3.0
94.07316	2.3
95.04967	40.4
95.08568	6.1
96.08059	1.9
97.08923	2.1
98.98463	97.0
99.58332	1.7
100.03370	3.4
100.03976	47.7
103.05470	8.8
105.07024	44.6
105.79021	1.9
107.04955	33.8
107.08588	40.1
108.08095	4.3
109.06515	46.8
110.07111	7.8
110.09692	2.4
113.02126	2.2
114.02901	2.5
114.05468	1.8
115.05451	4.3
116.99511	4.1
117.06995	29.1
118.05013	27.4
118.07327	1.9
118.34795	1.7
119.08582	20.4
120.08128	9.1
120.08845	2.1
121.02875	1.7
121.06498	31.3
121.10111	4.9
128.06209	2.1
129.06978	2.7
129.10197	3.1
130.07782	11.9
133.10077	7.9
134.05965	2.9
134.99640	2.1
135.08006	5.8
135.11682	48.8
136.07561	4.5
137.05914	2.6
143.08475	5.0
145.10117	69.0
146.04482	24.5
148.07567	5.0
152.07095	3.4
163.11177	42.3
164.05539	69.6
164.06927	3.5
174.99242	12.9
175.11852	2.5
178.04478	1.7
198.11249	3.1
230.04099	2.2
244.11751	15.4
249.13434	1.7
251.00018	2.3
257.61133	1.8
262.14346	4.6
280.15390	3.0
308.14877	7.0
326.11813	5.2
326.15930	83.5
327.10437	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	326.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01871	0.6
55.05513	1.6
56.05035	2.0
56.96570	0.7
62.61309	0.5
63.08949	0.6
65.03922	1.3
67.04240	3.6
67.05509	1.3
68.05027	1.4
69.03418	1.6
70.02940	1.1
70.06586	8.8
70.98807	1.8
71.25057	0.6
72.04526	1.0
72.08154	4.2
74.02434	3.4
79.05504	1.0
80.05017	3.6
81.03409	2.3
82.02940	0.7
82.06578	25.1
83.04980	1.4
83.06107	0.8
84.04500	2.0
84.08139	11.2
85.02897	1.3
86.09719	2.0
87.02686	0.6
91.05473	3.7
92.05030	0.6
93.05787	2.6
94.06561	1.6
95.04972	1.2
95.07349	0.8
96.04501	1.6
96.08157	0.7
97.02909	0.7
98.06055	5.7
98.98460	40.4
99.05563	0.7
99.09215	4.5
100.03989	1.6
100.07615	9.7
102.07728	0.6
105.01865	0.7
105.07089	0.8
106.06560	0.8
108.04479	0.9
108.08108	8.5
109.07635	45.9
110.06039	1.2
110.07166	1.0
110.09692	1.1
111.04462	0.6
111.09214	2.2
114.03778	0.6
114.05520	1.0
115.02144	4.0
116.07084	1.8
116.99513	2.5
117.07019	1.7
118.05011	1.2
118.06554	0.7
119.08566	4.5
120.08132	1.3
123.04414	4.8
124.04754	3.5
125.10812	0.9
126.09163	1.8
127.03897	0.7
128.07069	0.8
130.04936	0.8
134.05968	0.6
135.09180	1.0
136.07568	4.4
136.11307	0.6
137.05971	1.0
137.07069	1.2
138.09053	1.2
142.03230	1.5
146.04460	4.1
146.06033	1.6
146.09651	0.6
153.10240	4.7
154.08644	1.7
155.08138	12.2
155.09332	1.1
156.16466	0.6
161.01172	0.7
163.03870	2.5
163.08658	0.8
164.06982	1.4
164.10713	3.1
171.26773	0.6
174.99232	5.3
181.09729	1.9
182.08124	2.4
183.14922	1.0
199.10771	77.2
200.11127	1.4
209.09262	1.2
211.14461	1.1
213.12378	3.5
227.10251	100.0
228.08606	1.7
228.10597	1.6
245.13071	0.6
251.00070	1.1
274.37592	0.6
308.16107	0.8
309.14365	1.9
326.17102	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2157
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
52.26302	7.2
53.03935	9.5
54.48890	7.1
55.01867	15.3
55.05497	15.0
56.96572	6.5
57.03407	10.4
67.05508	40.3
69.03401	8.9
69.07081	31.8
70.04057	9.6
71.05010	8.8
71.60177	9.8
79.05500	34.8
81.03368	7.8
81.07053	43.4
83.04977	6.9
83.08617	7.5
84.93071	7.0
85.06520	9.9
91.05496	41.7
93.07034	44.9
95.04964	50.7
95.08582	25.3
97.06532	81.6
97.73805	6.2
103.05499	11.3
105.07043	63.3
107.04913	10.2
107.08582	30.6
109.06533	15.8
109.10123	22.2
111.08076	11.1
114.27094	6.5
116.98602	11.3
117.07010	7.2
119.08580	46.5
120.66702	6.5
121.06496	11.3
121.10117	16.2
128.06267	10.4
129.07069	15.5
130.07788	8.0
131.08562	21.0
133.10127	28.6
135.07983	6.8
137.05992	42.6
141.06995	8.0
142.07758	19.5
143.08540	19.8
145.06432	8.8
145.10129	29.0
147.08038	9.1
147.11655	7.5
149.09621	9.8
151.07654	10.2
151.11137	12.8
153.06985	7.5
155.08528	13.2
156.09448	11.1
157.10161	33.5
159.08096	12.3
159.11720	16.3
161.09631	14.0
161.13162	10.9
169.10110	30.9
170.10915	8.5
171.11649	14.8
173.13274	9.0
179.08560	13.8
181.10121	16.9
183.11699	16.5
185.09599	20.0
185.13142	8.7
193.10197	16.2
195.11710	22.4
197.13304	14.5
199.11073	7.6
201.12573	7.9
209.13240	19.5
211.14867	20.7
218.10857	7.1
221.13269	15.2
223.14786	23.2
225.16545	7.5
233.13248	18.6
251.14299	18.5
261.03622	6.9
263.21475	7.3
269.15347	9.5
297.22192	14.5
307.20587	43.0
325.10593	9.9
325.14359	18.6
325.21597	100.0
326.22058	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	325.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.8
55.01870	0.8
55.05495	2.1
56.96555	1.7
67.05488	3.6
69.07053	2.8
69.62491	5.4
70.06587	1.2
71.04978	0.9
79.05484	2.8
81.03403	1.6
81.07069	4.9
83.04987	1.6
83.08619	1.5
85.02900	0.8
85.06528	0.8
91.05471	2.8
93.07034	3.9
95.04956	1.6
95.08616	4.1
97.06562	0.9
97.10146	1.2
98.20687	0.7
98.97578	1.3
105.07030	2.3
107.04963	1.8
107.08602	3.6
109.06530	0.8
109.10172	2.5
111.11771	0.9
115.61736	0.7
116.98608	1.0
119.08541	1.8
121.10157	1.7
122.03646	0.9
123.08104	0.9
123.11746	1.6
130.40387	0.8
131.08559	0.7
133.06407	0.9
133.10112	2.1
135.04475	1.2
135.11659	1.8
137.05980	10.8
145.10107	1.3
147.11684	1.3
149.09641	0.9
149.13260	1.5
151.07530	1.6
159.11644	0.9
160.97638	0.7
161.09494	1.0
163.03912	2.2
164.46407	0.7
178.96460	0.9
235.07773	0.9
243.14198	0.9
250.06265	0.8
251.11385	2.4
255.17534	0.8
265.08655	2.3
269.12454	3.9
281.17319	3.2
283.09674	1.7
287.13416	2.1
293.08047	1.5
293.11331	0.8
297.11398	0.9
308.70981	0.7
325.16241	100.0
326.16479	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	1.0
50.05427	0.6
51.02365	0.9
53.03950	3.6
54.03460	1.8
55.01865	3.2
55.05510	11.7
55.05768	0.4
56.05030	1.2
56.49417	0.5
56.96571	1.1
57.03437	3.8
57.07071	2.5
59.04994	0.9
60.04520	2.0
61.02933	0.8
65.03945	3.0
65.30738	0.6
67.05502	38.1
68.05008	0.6
69.03437	5.8
69.07065	19.8
69.27225	6.7
70.06588	13.6
70.14518	0.5
71.04987	2.5
71.06079	0.9
72.04516	7.6
72.93782	0.6
73.02913	2.8
74.02437	28.6
77.03936	1.4
79.05490	81.2
80.05822	1.1
81.03416	13.5
81.07054	49.5
82.02934	8.7
82.06583	1.8
82.07367	0.6
83.01344	3.5
83.04984	4.2
84.04518	3.0
84.08144	4.8
85.02908	12.2
85.06555	1.3
86.09699	7.4
87.10036	0.8
89.03903	0.7
90.94810	0.6
91.05477	53.6
93.07040	79.6
94.07387	0.8
95.04963	30.7
95.06028	1.1
95.08601	5.9
96.08124	0.8
97.02883	2.2
97.06542	2.0
98.09695	1.0
98.97577	0.9
99.05575	34.1
100.03975	16.0
101.02377	2.0
102.05537	1.5
103.05465	5.9
105.04512	1.5
105.07027	30.3
107.04954	30.1
107.08591	37.2
108.08128	2.9
109.02811	0.8
109.06516	32.8
109.10191	0.7
110.06078	0.9
110.07156	0.9
110.09675	0.8
115.05447	2.3
116.04984	1.0
116.06284	1.2
116.07093	4.4
117.03372	0.7
117.07059	25.2
118.05007	16.8
118.06458	1.4
119.03462	0.8
119.04932	0.6
119.08572	16.0
120.08074	1.7
121.06496	26.2
121.10135	4.8
122.06081	1.2
123.04382	0.7
123.08056	1.1
124.07563	1.1
124.11221	0.8
127.03907	2.8
128.03421	1.4
128.06223	1.8
129.07005	2.1
129.10237	1.9
130.05000	2.8
130.06535	2.0
130.07776	10.0
130.08730	0.9
131.08571	1.1
132.08147	0.7
133.02876	1.1
133.10133	7.4
134.09659	1.0
135.04372	2.5
135.08057	4.1
135.11690	33.1
136.07571	1.6
137.05989	2.1
143.08563	3.6
145.02837	1.2
145.04958	2.1
145.06061	14.4
145.10117	54.1
146.04478	100.0
147.04506	1.0
151.07521	0.9
152.10696	1.6
152.14310	2.3
159.35939	0.6
160.11174	0.9
161.11977	1.3
162.09152	1.0
162.12721	3.4
163.04001	7.8
163.07137	76.2
163.11166	38.1
164.07184	0.8
164.11578	0.6
175.11948	0.7
179.20175	0.6
180.13837	2.2
187.07596	0.9
190.04982	1.7
191.08211	2.0
192.31696	0.6
198.11263	3.4
201.05537	0.9
201.09830	1.4
205.06483	0.9
222.06758	1.1
226.10745	2.3
234.99001	1.6
237.08928	0.9
243.13370	6.7
244.13283	0.9
246.19492	0.8
255.13297	1.0
261.16031	5.1
262.14261	0.9
273.08749	0.7
279.17059	1.5
281.13812	0.9
281.18695	1.1
281.47110	0.8
290.13718	1.1
293.07977	1.2
307.09009	0.8
307.13077	1.3
307.16428	6.3
308.15085	1.6
318.26111	0.8
325.03574	2.3
325.11102	2.6
325.17569	61.5
325.20975	3.1
326.17987	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	16.7
67.05507	4.7
69.03422	4.8
69.07043	2.7
71.33199	6.5
74.97603	4.1
81.07040	5.2
83.51084	3.1
93.07014	5.1
94.05997	2.8
94.70851	3.0
98.97607	5.0
102.91183	3.1
105.07031	5.1
107.04929	3.3
111.67556	3.3
116.98641	6.9
128.98590	4.8
134.99600	4.6
137.06013	5.5
145.06572	3.3
146.99638	7.5
161.05930	4.5
162.06335	3.6
185.01184	7.1
189.04378	2.9
198.05644	4.3
199.02792	9.4
213.04335	3.6
213.08022	9.2
217.07584	3.3
225.08040	6.6
231.09010	13.2
239.09618	3.5
242.08301	4.9
243.29204	3.1
249.08907	4.5
251.09586	4.9
257.10602	48.0
264.11035	4.3
269.10556	64.5
275.11572	41.1
280.12158	5.4
283.09659	3.5
283.12122	18.2
287.11633	53.8
292.10321	8.6
292.12732	3.9
301.13217	100.0
301.16617	6.5
319.14337	4.8
324.09702	3.6
324.13480	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	324.1956
Annotation	CW 69D
Peak:m/z	Relative Intensity
53.03928	0.8
53.09692	0.5
56.96561	1.2
67.05485	0.5
67.24818	0.5
69.07044	0.7
70.89086	1.4
72.93758	0.7
76.08127	0.6
77.03876	0.5
79.05491	18.4
79.05956	0.9
81.07034	0.9
83.55285	0.4
91.05459	1.5
92.23735	0.4
93.07027	2.2
94.04187	0.7
95.04948	2.0
103.05463	35.2
104.05823	0.7
105.07027	2.4
107.04950	19.0
107.08599	0.6
118.06531	6.0
119.36190	0.6
121.06471	1.4
122.03653	1.1
131.04921	11.6
132.08057	1.7
133.08904	0.7
137.05971	9.5
139.56992	0.5
146.09633	2.3
149.05960	1.4
151.07501	1.4
160.11218	0.7
161.90579	0.5
176.14337	45.7
177.14607	0.6
189.15187	0.4
201.09148	1.1
203.08310	0.8
204.08888	0.8
232.08379	0.8
233.09305	0.6
249.08670	1.1
255.06877	0.7
257.10535	1.4
261.08972	0.6
264.10928	1.0
269.10593	1.2
275.11658	0.6
277.08170	0.6
283.06305	2.7
287.11661	1.1
292.10330	2.7
293.11523	0.9
301.07343	4.4
301.13110	3.0
324.13156	4.8
324.19550	100.0
325.10681	0.9
325.14243	2.8
325.19827	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	324.2169
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
53.03951	0.5
55.01852	0.6
55.05507	1.9
56.96566	0.4
57.05801	0.4
57.07080	0.5
66.93052	0.3
67.05501	3.9
69.03432	0.5
69.07066	10.2
70.06563	0.3
70.73073	1.0
73.14977	0.3
74.56290	0.3
79.05487	4.0
81.07057	7.6
82.07389	0.4
83.04988	3.6
83.08588	0.5
84.08205	0.4
86.09705	100.0
87.10023	0.5
91.05479	9.8
93.07047	12.0
95.04970	2.7
95.08601	2.5
97.06522	1.0
97.68353	0.4
98.97586	0.8
103.05436	0.4
105.07024	13.5
107.04960	0.8
107.08595	2.9
109.06517	9.8
109.10157	1.6
111.08063	2.8
116.98627	0.7
117.07018	0.8
119.08578	4.3
121.06504	0.5
121.10143	1.0
123.08076	0.9
123.11677	0.6
128.10715	5.0
129.07019	0.6
131.08583	3.7
132.10204	30.1
133.06483	1.1
133.10123	18.2
134.99651	0.6
135.07997	0.6
137.05962	1.9
145.10147	0.4
147.08002	0.4
147.11685	13.2
149.09615	1.6
149.13243	1.2
151.07605	2.8
151.11179	41.1
156.10196	1.0
157.10132	0.8
161.05946	1.7
162.06361	1.3
165.12733	2.1
167.14383	0.5
175.11203	3.2
192.09024	0.4
193.12265	3.2
197.01192	1.3
203.08144	0.8
204.08910	1.3
210.14819	0.8
215.02357	0.6
217.77429	0.4
221.09067	0.5
222.14946	0.9
223.02754	0.5
225.71822	0.4
231.07864	0.4
232.08293	1.7
248.08022	0.9
249.08696	0.8
260.07861	1.6
260.20120	5.7
261.08615	1.1
264.10971	1.3
265.03922	0.5
266.17715	0.5
277.08096	0.8
278.08914	0.4
278.21143	26.1
292.10504	4.2
306.20615	5.4
307.21103	0.4
308.04190	0.4
324.13147	3.5
324.21634	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	325.0172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
56.05022	1.5
56.96553	5.0
67.63702	1.2
69.03424	1.7
70.72333	3.8
72.04491	2.0
72.08150	2.5
74.02424	3.6
79.18195	1.2
81.03416	14.8
81.03854	2.2
84.04494	1.5
84.08097	1.4
90.06144	1.3
97.02934	1.4
98.20795	1.7
98.97565	4.1
100.03973	15.6
109.02882	20.5
116.98595	2.9
118.05020	5.2
119.01907	1.8
120.95428	1.7
123.69022	1.2
128.98605	3.1
130.39388	1.2
131.01895	2.3
134.99670	2.1
146.04449	1.6
146.99628	2.3
156.96255	2.1
156.97481	38.3
157.03517	2.8
157.97572	1.6
164.05508	4.7
174.98563	66.6
175.98590	5.5
177.00993	2.4
182.98970	1.6
185.02951	4.5
192.98775	8.3
194.99005	5.8
198.98518	17.9
199.98569	6.5
202.97990	2.5
206.99014	2.2
208.04791	1.3
209.00624	2.1
210.98399	2.8
213.00143	7.5
214.00261	1.5
216.96283	4.0
216.99487	7.9
217.96367	3.7
218.99008	1.8
219.02023	3.0
222.02017	1.9
222.98553	4.1
223.98680	1.6
225.00102	7.8
226.98137	1.8
227.01727	1.7
231.02550	1.2
235.00092	1.9
237.00070	8.4
239.01822	1.8
240.99446	2.8
241.96231	1.7
241.99779	4.2
242.09824	1.3
243.28751	1.4
245.45979	1.5
246.98511	5.5
247.99066	2.5
249.03394	1.4
250.48732	1.6
252.49626	1.6
255.99826	5.2
256.98083	2.8
258.01346	1.7
258.03726	1.7
258.97427	13.9
258.99979	3.0
259.97501	17.6
260.97247	2.5
261.03058	5.4
264.99551	22.0
265.44012	1.6
265.93970	2.1
269.97672	2.1
270.97379	1.6
274.00986	6.4
278.44626	1.6
278.91824	2.4
283.00632	46.9
284.00705	2.2
287.45258	1.7
296.92957	2.1
297.97180	1.5
300.98401	4.0
301.01602	33.2
301.45123	1.8
301.98526	12.1
302.01215	5.8
302.98251	1.7
306.02039	1.8
310.45108	1.5
315.00162	1.7
320.01279	12.4
325.01663	100.0
325.21637	2.8
326.01675	5.5
338.02383	2.0
342.99182	3.5
343.02722	12.2
343.99026	1.9
344.02963	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
55.01860	2.8
56.96566	1.8
57.03431	6.7
58.46612	1.3
58.71898	1.6
59.75727	1.4
65.03971	1.9
67.04237	8.8
67.05486	1.7
69.03428	4.4
70.06598	2.6
70.78391	2.7
70.78729	2.1
71.01361	2.2
72.04517	2.9
73.02920	3.1
74.02437	6.1
80.05018	4.4
81.03416	100.0
82.06577	80.6
83.04951	2.7
84.04491	4.6
84.08112	1.8
85.02900	4.8
91.05492	2.9
96.05627	5.1
97.02892	6.3
98.03535	5.7
98.06057	2.5
99.05560	2.9
99.06704	1.6
100.03992	2.9
100.07600	10.2
108.04504	1.7
109.05173	2.4
110.06046	3.2
114.90140	1.5
115.03918	3.6
115.05457	2.1
118.05026	3.5
121.05128	11.8
121.70896	1.5
123.06673	3.4
123.60275	1.5
124.07562	2.3
125.04578	3.2
125.06995	5.9
126.05382	11.2
127.06160	2.2
127.62552	1.7
130.04965	3.6
133.05009	3.5
136.06165	21.1
137.04649	1.5
138.07784	2.9
145.06328	5.3
146.01239	1.7
146.04498	12.8
148.06200	19.4
149.04587	5.3
150.07704	3.3
150.09154	2.7
151.06163	4.7
153.06494	13.0
154.07289	2.8
160.06149	1.6
162.09117	2.5
163.07425	3.6
165.08829	8.6
166.07236	8.8
167.78075	1.5
172.02815	2.4
175.07314	2.6
176.05637	12.5
177.08755	2.9
193.08334	61.0
196.06084	1.6
197.70320	1.5
211.04633	1.7
224.05614	2.2
226.07077	3.4
235.09306	2.4
237.51135	1.6
241.08255	3.4
263.83054	1.5
271.09381	2.0
289.10309	7.1
302.07379	4.8
307.11502	3.1
325.12918	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	325.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
53.62239	0.6
55.01863	2.4
55.05507	3.8
57.03428	1.8
57.07056	0.8
59.04978	0.8
65.03940	0.7
66.12868	0.6
67.05500	10.4
69.03418	1.2
69.07064	5.9
69.51759	5.2
70.06585	0.7
71.04985	1.5
79.05491	8.0
81.03410	1.4
81.07050	27.3
83.04981	2.9
83.08600	2.3
85.02917	0.8
85.06540	2.3
86.68877	0.6
91.05475	8.4
93.07025	5.8
95.04977	2.0
95.08596	9.2
95.55508	0.7
97.02911	1.4
97.06532	2.2
97.10184	0.9
99.08101	1.1
105.06377	1.1
105.07029	13.0
107.04964	0.9
107.08582	5.7
109.06535	2.4
109.10181	1.2
111.08080	1.0
115.03944	2.7
117.07014	0.9
119.08581	8.9
121.10142	6.7
123.08089	1.9
123.11687	7.1
125.09570	0.8
129.07002	1.5
133.10133	1.2
135.11636	1.2
137.05981	3.4
137.13280	1.2
147.11678	21.1
148.12035	1.1
151.07541	1.0
157.10190	0.8
161.09615	0.6
163.03879	1.6
165.12740	12.5
169.04962	2.8
175.11111	1.4
178.96384	1.4
187.14832	0.8
193.12181	1.3
229.14403	2.1
233.15361	0.8
243.14438	1.0
251.11307	2.6
265.08707	0.7
269.12354	3.8
279.15939	1.3
281.17282	2.4
287.13443	2.5
293.07986	1.0
297.17010	5.1
307.15332	1.6
325.16229	100.0
326.16547	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	32.5
60.23223	2.2
61.72170	2.5
69.03398	2.4
70.06557	5.0
71.59097	5.0
76.98178	2.0
81.03422	6.3
82.06555	9.7
83.04966	9.6
84.04481	4.5
84.08135	4.8
88.07621	3.6
96.52326	2.1
97.99169	6.9
99.05544	2.8
109.99164	12.9
116.00198	6.4
118.08635	2.7
128.00186	35.4
136.07570	3.3
140.00214	12.6
146.01239	42.5
146.04388	5.1
146.99724	3.4
148.06047	3.3
154.01740	15.5
156.03308	6.7
158.01234	36.3
162.11241	12.6
163.07013	3.0
164.02275	8.2
167.04282	2.6
168.03088	2.8
172.02798	51.2
173.02310	6.3
174.04462	2.3
176.02296	14.3
179.07925	7.5
182.15091	2.3
184.02815	4.9
186.04312	17.5
190.03809	19.2
193.08359	6.2
204.01801	7.3
210.04391	15.0
212.05859	2.2
219.02858	4.0
221.05965	7.2
222.02641	3.3
222.04556	4.2
225.08586	2.3
228.05385	21.8
237.05434	8.3
239.07001	25.9
240.05345	5.2
255.06697	2.6
257.08081	4.2
265.04910	21.2
283.05991	48.4
301.07050	100.0
306.10593	3.8
319.07977	16.3
324.11902	11.7
324.16412	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	323.2578
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
55.05509	47.1
56.37733	1.4
57.03436	3.3
57.07068	8.3
59.04994	3.4
67.05504	15.5
69.03419	9.4
69.07064	94.0
70.06236	7.7
71.04988	1.8
71.08647	2.1
73.06548	3.0
77.86684	1.2
79.05478	8.9
81.03433	1.4
81.07055	46.4
82.07365	1.3
83.04975	10.2
83.08622	6.7
83.74241	1.3
85.06567	1.6
91.05477	3.9
93.07032	20.2
95.04980	3.1
95.08602	38.8
97.06541	13.1
97.10165	100.0
98.97569	1.8
99.08090	4.2
100.24710	1.4
101.05998	1.4
105.07012	5.8
107.04932	4.3
107.08576	13.3
109.06496	3.2
109.10145	21.8
111.08063	2.6
111.11718	34.3
115.11190	7.3
119.08584	5.0
121.10136	22.0
123.08049	2.2
123.11703	17.9
125.09663	1.5
133.10106	6.3
135.11694	10.9
137.05949	2.7
137.09621	2.4
137.13255	6.3
139.11174	97.9
147.11679	5.2
149.13255	11.8
151.11197	2.8
153.12811	6.9
157.12231	94.6
159.11597	1.9
161.06026	2.3
163.14856	2.0
165.12711	2.7
171.13824	1.5
175.14795	1.9
189.16370	1.7
199.07510	4.3
202.07698	3.5
203.08585	9.2
203.12726	13.6
203.22714	1.9
217.17680	1.4
220.08838	3.1
231.07997	9.7
231.17317	2.4
232.08775	4.2
247.07520	3.4
248.08304	7.5
249.22165	2.5
259.07687	3.3
260.08307	2.7
263.10651	9.3
263.23663	3.2
276.07889	4.5
277.08536	2.4
277.25241	6.3
287.23633	3.3
291.10132	19.9
292.10648	4.2
293.07941	3.1
305.24731	20.7
308.10324	2.1
323.12796	23.9
323.25772	30.5
324.12985	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2579
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03941	5.2
55.01859	4.2
55.05511	54.2
56.96556	5.4
57.03438	4.0
57.07077	10.8
58.22678	1.2
59.04982	2.8
65.03890	1.5
67.05172	2.0
67.05507	31.2
69.03433	9.5
69.07067	87.8
70.06599	1.7
70.07410	2.1
71.04979	6.0
71.08625	2.6
71.59325	1.7
71.59695	1.3
71.84237	1.3
72.08134	2.2
73.06548	3.7
79.05488	16.6
81.03415	4.2
81.07057	75.4
83.04978	7.5
83.08620	11.8
85.02909	3.3
85.06544	8.7
87.00852	2.2
87.04440	1.2
91.05471	10.4
93.07039	44.3
94.06503	1.4
95.04962	5.1
95.08606	87.9
96.08932	2.4
97.02879	2.4
97.06535	16.7
97.10170	100.0
97.87742	1.3
98.10489	1.4
98.97596	2.6
99.04433	1.4
99.08096	4.9
105.07030	13.9
107.08597	38.5
108.38775	1.2
109.02871	4.8
109.06512	4.5
109.09447	2.2
109.10155	30.3
111.08087	18.9
111.11727	19.6
114.32416	1.3
115.11173	3.6
116.98636	2.4
117.06988	2.0
119.08562	11.3
121.06524	2.1
121.09303	2.4
121.10147	28.7
122.10473	1.7
123.08060	5.8
123.11707	38.6
125.09624	12.9
127.03921	3.4
131.08588	2.5
132.06221	2.0
132.10210	4.7
133.06499	2.7
133.10077	10.0
134.99590	2.2
135.11673	19.0
137.05981	4.6
137.09645	4.1
137.13263	7.5
139.11180	52.4
141.06808	1.6
143.10686	21.8
145.10110	2.5
147.11711	6.8
149.13260	30.9
151.11189	3.8
151.14801	1.5
153.12700	10.6
157.12242	39.9
159.11641	2.1
161.05992	4.4
161.13318	4.9
163.11226	2.0
163.14856	7.8
165.12747	3.8
167.14320	2.8
169.12238	1.3
171.10194	1.4
171.11578	1.8
171.13828	2.5
173.13269	1.6
175.14862	3.7
177.00699	1.7
177.16269	1.6
179.03415	1.7
179.14317	2.2
189.11296	6.4
189.12749	1.3
189.16414	3.7
191.14291	2.5
193.11813	3.0
195.17368	2.2
199.11646	2.8
202.07910	2.1
202.12169	2.9
203.08543	4.1
203.12712	6.7
203.17914	1.9
207.17413	2.7
215.18056	1.8
217.07538	1.5
219.01897	1.4
220.08884	2.2
230.21091	2.0
231.08180	3.1
231.13805	1.7
231.21402	7.1
247.07458	1.4
248.08363	3.3
249.18704	2.5
259.07596	2.0
259.24176	2.4
260.08582	1.9
263.10782	3.1
269.22699	1.8
277.25256	8.4
287.23352	3.0
291.10135	6.5
305.10358	3.7
305.24747	34.7
323.12695	6.8
323.25992	45.1
324.25809	1.6
349.20355	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	6.5
55.05513	28.6
57.07075	3.9
62.06090	62.0
63.06422	6.2
67.05508	30.5
69.03416	6.3
69.07059	13.8
71.60149	3.5
79.05496	22.3
81.03403	3.9
81.07066	22.3
82.07396	4.2
83.08613	16.7
91.05480	13.5
93.07034	18.1
94.07372	4.1
95.04949	6.8
95.08596	17.6
96.08960	2.6
97.02907	3.6
97.10184	23.1
105.07028	9.1
107.04985	3.4
107.07969	2.4
107.08557	14.6
109.10148	8.2
109.46711	2.3
113.23153	2.6
116.98707	3.8
117.07027	3.6
119.05015	2.5
119.08581	11.6
121.06516	4.8
121.10140	6.6
123.08073	4.2
123.11710	2.9
125.09644	19.7
126.80717	2.5
131.08560	7.5
133.10117	6.0
135.08070	6.4
137.09618	3.4
143.08559	4.3
147.08018	3.0
147.11684	4.8
153.09096	3.7
165.09161	3.5
203.12790	8.7
223.13272	7.1
273.18539	5.7
277.00781	2.8
291.19540	100.0
292.19885	4.3
305.21207	24.7
323.22314	4.6
323.27710	6.3
323.87515	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	323.2216
Annotation	Rapanone
Peak:m/z	Relative Intensity
52.85426	3.0
55.01854	8.5
55.05495	12.0
56.96558	4.6
57.03434	27.3
57.07071	6.3
63.70764	3.7
67.05495	39.7
69.03421	5.5
69.07066	8.8
71.04983	6.1
71.10816	5.9
77.23302	3.4
79.05493	24.9
81.07042	37.7
83.04956	10.1
83.08612	7.6
85.06537	27.8
86.95534	4.0
90.73330	3.1
91.05475	16.5
93.07034	22.2
95.04966	38.9
95.08584	13.2
97.06501	5.9
97.10143	6.0
98.97562	4.8
105.07001	14.5
107.08584	12.3
109.06521	27.2
109.10123	9.1
111.04430	8.3
111.08082	6.0
113.05997	100.0
116.98602	6.8
117.07046	6.8
119.08561	12.2
121.06483	3.8
121.10143	10.7
129.06967	6.4
131.08572	7.8
134.99640	6.6
135.08070	28.2
135.11667	6.6
145.10141	7.9
147.01967	3.1
147.08012	4.7
147.11656	4.3
149.09653	5.6
150.66048	4.2
153.12726	8.6
157.10182	3.8
159.11653	5.3
163.11160	9.8
164.92090	5.9
175.11140	4.9
181.12149	6.4
191.10620	5.7
198.98880	5.2
209.11867	4.0
217.15962	8.5
227.12773	10.0
258.99838	3.8
273.18387	21.8
277.00784	15.0
291.19540	65.8
305.21112	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	323.2216
Annotation	[8]-Gingerol
Peak:m/z	Relative Intensity
53.03939	0.6
55.01867	2.1
55.05509	5.0
56.96566	0.6
57.03427	0.9
57.07075	11.6
58.37597	0.5
58.38934	0.5
66.65646	0.5
67.05502	6.5
69.03434	1.7
69.07070	5.0
71.04996	0.9
71.08630	0.7
71.98851	0.5
79.05486	3.8
81.07056	9.0
81.87813	0.5
83.04982	1.4
83.08595	0.9
85.06542	5.4
91.05480	3.9
93.07039	8.5
95.04963	5.6
95.08601	7.1
97.06519	3.1
97.10172	1.2
98.97590	1.2
105.07020	4.0
106.86333	0.5
107.04966	0.9
107.08577	2.9
109.06512	7.1
109.10144	3.1
111.04437	1.7
111.08093	0.6
115.05415	0.7
116.98636	0.9
117.07009	0.9
119.08599	3.5
121.06517	4.7
121.10090	2.5
123.04437	5.6
123.08064	1.6
123.11683	1.4
125.05984	2.7
125.09586	0.8
129.07010	0.8
130.19456	0.5
131.08549	0.7
133.06487	0.5
133.10106	2.1
134.99648	0.7
135.08060	2.5
135.11696	0.9
137.05978	13.6
137.07039	0.6
137.09627	1.6
137.13263	0.7
138.06767	2.0
139.11165	0.6
143.08531	0.8
145.10144	1.4
147.08064	1.4
147.11662	1.3
149.09599	0.9
149.13226	0.7
151.07536	5.5
151.11165	2.3
157.10115	0.7
159.11691	0.8
160.28992	0.5
161.05995	1.0
161.09650	1.4
161.13264	1.5
163.11247	1.4
164.92020	0.9
165.09113	1.0
165.12752	1.2
167.10704	1.3
171.11691	0.9
173.13304	0.9
175.07664	0.5
175.11171	1.0
177.12717	0.9
179.10641	2.1
179.14279	2.7
180.11446	6.2
181.12192	1.4
183.27153	0.5
185.13289	0.7
189.12680	1.0
193.12253	3.4
202.07773	0.7
203.08684	0.8
221.15358	4.7
231.08167	0.9
235.16954	0.8
248.08183	0.5
259.07620	0.8
269.18820	0.6
277.00763	1.5
277.21637	7.7
281.13708	1.1
281.17358	0.6
284.40082	0.6
287.19992	1.5
291.10123	2.3
295.22754	4.1
305.21106	40.8
306.21481	1.2
323.22159	100.0
324.22549	2.1
348.63623	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01862	0.7
55.05505	1.0
67.05499	1.0
68.65583	0.5
69.03416	1.3
69.65876	2.0
69.66312	2.0
79.05492	2.9
79.35179	0.6
80.05009	0.8
81.03398	1.6
81.05812	2.8
81.07050	3.0
84.04463	0.8
84.08124	1.3
85.02903	1.2
85.06535	0.9
86.09679	1.6
91.05479	2.0
93.07025	2.7
94.69312	0.6
95.04970	1.5
95.08602	1.5
96.08115	9.8
96.08681	0.9
97.02872	0.8
97.06523	0.6
98.97565	1.0
105.07006	1.5
106.06549	1.6
107.04957	0.8
107.08587	1.6
108.08146	0.9
109.06493	0.8
111.04472	0.6
115.46312	0.6
116.98611	0.8
119.08579	1.1
121.10130	1.1
122.06001	1.0
124.07585	32.7
126.05454	0.8
130.06497	0.7
133.10156	0.8
136.07571	58.0
137.05975	2.0
138.09132	1.7
140.07050	1.1
153.09132	0.6
158.48170	0.5
160.13329	0.8
161.05966	2.3
161.13600	0.9
164.07059	100.0
165.07368	1.6
166.07680	0.9
179.08409	0.6
182.08118	69.9
183.08386	1.1
184.08577	1.8
199.07642	1.0
202.07741	0.7
203.08551	1.3
220.08846	1.0
231.08069	2.0
248.08324	1.2
259.07486	1.1
260.08362	0.7
263.10715	1.6
275.81860	0.5
276.91592	0.5
277.08801	0.7
291.10165	3.9
292.10837	0.8
293.08139	0.8
306.13348	0.9
323.05212	0.8
323.08926	0.9
323.12836	4.8
323.18924	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1277
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
55.01877	1.2
55.05507	1.4
56.96566	1.0
67.05513	1.5
69.03429	1.3
69.07067	2.1
70.98557	1.4
70.98923	1.3
71.04990	0.7
79.05484	3.8
81.03435	0.8
81.07058	2.7
83.04969	0.6
83.08607	0.8
84.72803	0.7
88.65879	0.6
91.05467	4.8
93.07060	1.7
94.04201	0.8
95.04939	0.9
95.08624	1.6
101.12881	0.7
102.04681	1.6
103.05484	4.3
104.98477	0.7
105.07031	18.1
107.04944	1.4
107.08622	0.9
109.06521	1.3
109.10170	0.8
115.05451	12.7
116.98601	1.5
117.03414	0.8
117.07021	2.1
118.04105	0.9
119.08548	1.3
121.06497	0.6
122.03654	1.3
128.06224	2.0
129.07001	0.9
130.04140	2.1
131.04956	3.7
133.06477	12.8
133.10144	0.8
135.11688	0.8
137.05975	18.8
139.05421	1.3
141.06943	0.9
143.05058	1.0
143.06082	3.1
143.08534	0.9
146.03618	2.8
146.07263	3.6
147.04407	2.2
149.05966	6.4
151.48262	0.7
159.08034	1.0
160.05301	1.2
161.05981	41.7
162.06685	2.8
164.10742	0.9
165.07077	1.0
169.06523	0.9
171.08063	4.0
177.05463	1.8
184.05193	1.6
189.06993	1.5
191.08563	2.7
192.09270	2.0
199.07549	6.6
202.05905	0.5
202.07755	15.0
203.08551	27.8
203.10384	1.5
204.09084	1.7
205.06526	2.3
205.84433	0.7
206.07246	1.0
215.08540	1.5
218.07410	0.8
219.08041	7.7
220.08829	10.6
221.09641	1.3
230.07251	2.8
231.08046	37.3
232.08751	6.8
233.05975	1.6
234.06714	1.1
235.07646	1.1
235.11270	2.0
237.09128	1.8
245.09641	1.9
246.06744	1.1
247.07587	5.6
248.08324	22.4
249.09099	4.1
257.10617	1.7
258.06845	1.7
259.07550	26.9
260.08282	8.4
261.05554	0.8
261.08945	2.2
262.09964	0.8
263.07742	1.5
263.10669	31.5
264.11102	0.8
265.08612	3.6
269.10562	1.2
273.08957	0.8
275.06940	2.1
275.11673	1.2
276.07828	12.0
277.00775	0.9
277.08582	4.5
278.09024	0.8
279.10132	0.8
280.10913	1.4
287.11658	0.9
290.09210	1.2
291.10144	100.0
292.10660	7.4
293.08026	4.0
295.13266	7.6
301.13202	2.8
305.20755	0.9
308.10437	5.9
323.12756	62.7
324.13116	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1275
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
50.79999	0.9
54.27982	0.8
54.55316	0.8
57.07051	1.0
67.05479	1.9
70.12756	3.8
70.31612	1.0
73.07109	0.9
79.05484	3.4
81.07033	3.5
91.05456	2.1
93.07030	2.1
94.04223	1.4
95.04960	2.6
95.08624	1.2
98.20864	1.2
98.97595	1.3
103.05465	2.6
105.07030	13.3
105.64602	0.9
109.06499	2.2
109.10135	1.1
111.04490	1.1
115.05435	4.0
116.98596	1.7
119.08580	1.8
122.03658	2.6
123.04413	0.9
128.06233	1.8
131.04915	3.0
133.06505	7.9
133.10167	1.4
134.99628	2.2
137.05978	25.5
139.05431	1.2
145.06505	1.2
146.03638	6.3
147.04367	1.1
147.11612	1.0
149.06003	2.0
151.07576	1.2
158.08302	0.9
161.05978	76.1
165.06834	1.1
167.04910	2.3
167.07086	1.1
171.08118	1.4
175.07536	1.1
178.07713	1.2
189.06961	1.8
190.07710	1.4
191.08517	4.8
192.09361	3.7
199.07536	9.8
201.06976	1.1
202.07751	21.3
203.06651	2.0
203.08560	38.2
203.47557	1.0
204.09178	1.9
205.06519	3.6
207.08099	1.4
213.07083	1.7
215.08531	1.7
218.07260	1.4
219.08025	12.3
220.08833	12.6
221.09476	1.5
221.15376	4.2
222.06879	1.3
229.06461	1.5
230.07336	6.4
231.08044	59.9
232.08740	8.7
233.05927	1.8
233.09537	1.4
234.06854	1.1
235.07579	1.2
235.11246	2.7
237.09126	1.3
243.08057	1.2
245.09694	2.3
247.07547	9.6
248.08322	30.3
249.09068	3.2
258.06723	5.8
258.99847	1.7
259.07535	49.6
260.08304	35.1
261.09085	2.7
262.06024	0.9
262.09885	2.4
263.10669	23.3
265.08615	4.2
273.09039	2.2
274.09601	1.2
275.06949	4.7
275.10223	0.9
276.07809	21.3
277.00748	2.1
277.08527	5.9
280.10800	1.6
290.09232	1.2
291.10150	100.0
292.10739	8.0
293.08176	5.9
295.13242	4.7
308.10330	6.9
323.12766	83.8
323.22089	2.8
324.13168	2.0
330.79388	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01881	0.7
55.05509	5.7
57.03447	0.4
57.07080	0.9
59.55778	0.5
60.04513	1.2
60.15073	0.4
62.06087	100.0
63.06427	0.5
65.03932	0.7
67.05504	15.7
69.07064	5.5
71.05004	0.5
71.60050	0.4
78.00326	0.4
79.05489	10.3
81.03437	0.6
81.07056	16.8
83.04973	0.6
83.08615	3.1
85.06543	0.7
88.78069	0.6
91.05469	4.9
93.07040	12.8
94.46536	0.4
95.04966	1.5
95.08607	12.3
97.06542	0.6
97.10187	2.0
98.06075	0.6
105.07042	3.6
107.08586	7.8
107.09262	0.4
109.06576	0.6
109.10159	6.5
117.07053	1.3
119.08584	3.5
121.10144	5.6
122.10484	0.4
123.08089	0.8
123.11711	2.9
125.09665	1.5
131.08565	2.7
133.10155	1.9
135.08109	0.8
135.11708	3.7
137.09781	0.7
137.13271	1.5
145.10167	2.2
147.11732	1.3
149.09599	0.5
149.13216	2.5
151.11133	0.4
153.12894	0.6
158.11858	0.5
159.11763	1.7
161.13333	1.0
163.11407	0.6
163.14880	1.5
172.13443	0.9
173.13348	1.4
177.16463	1.1
185.13289	0.5
186.15025	1.3
187.14865	1.0
200.16521	1.2
202.56668	0.5
214.18074	0.9
228.19662	0.6
233.31767	0.5
240.19734	0.5
243.21127	3.2
261.22144	4.3
273.18509	0.7
277.01016	0.6
291.19528	7.0
304.26321	3.3
305.21252	1.8
305.24948	1.7
322.27411	13.0
322.30984	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53064	4.2
59.77774	3.5
69.31657	27.0
69.32087	15.3
71.43696	3.8
90.64944	3.7
92.70304	4.0
93.70641	3.8
94.92999	8.8
111.03239	4.3
167.37000	4.2
180.70332	3.8
222.00894	3.7
248.89661	24.0
323.07410	100.0
323.11176	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.05503	3.5
56.96552	8.3
59.53313	2.3
67.04234	12.9
67.05509	3.5
69.03423	5.4
70.06580	3.9
70.94691	2.4
71.57981	2.7
79.05483	3.0
80.05007	10.0
81.03413	8.2
82.02940	3.0
82.06579	100.0
83.01344	6.7
83.04964	2.6
84.04494	6.3
84.08141	6.4
85.02901	4.0
85.17520	2.1
88.03977	3.0
94.06551	12.0
96.04492	31.5
98.06047	5.6
98.97581	4.2
100.07573	3.0
105.06989	2.6
107.04949	4.3
110.06053	3.1
111.04475	3.2
114.05518	29.8
116.98518	2.5
120.08102	3.0
122.06009	16.9
123.04413	5.0
134.05957	3.4
135.04350	3.9
136.07535	5.6
140.07072	10.6
146.04507	5.4
146.06075	2.8
148.03943	3.5
149.02373	4.2
150.05502	23.6
151.03879	3.1
152.07040	4.4
154.04955	3.4
160.07541	5.4
162.05453	2.8
163.03909	5.8
164.06987	4.6
168.06555	48.7
178.04994	30.1
191.08102	3.3
195.01857	2.8
195.27425	2.6
196.06058	22.8
212.73892	2.4
214.07098	34.9
221.05997	5.1
225.08769	5.1
227.04263	2.4
260.05557	7.2
270.50104	2.5
275.75000	3.0
298.39597	3.0
305.06699	3.0
305.11349	4.4
323.11212	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12015	0.3
56.05051	0.3
56.96565	1.5
60.38456	0.3
70.64240	1.1
81.50822	0.3
98.72392	0.3
98.97576	5.1
101.00890	0.3
116.97815	0.5
116.98616	6.3
119.01916	2.4
134.99643	5.4
137.02956	1.0
140.98903	0.3
149.33958	0.3
153.00691	1.6
177.00945	13.2
178.01057	1.1
182.99835	2.0
190.63594	0.3
195.02000	0.7
201.00859	4.1
214.92244	0.3
216.98720	0.5
218.03534	0.7
219.01990	100.0
220.02107	7.1
221.02322	0.9
232.93021	0.6
232.96561	0.4
234.99879	0.6
236.99512	2.1
237.02988	0.6
238.95583	0.5
242.03580	5.2
256.96570	7.2
257.96780	0.5
258.97247	0.3
258.99652	1.3
260.04605	0.7
261.02960	2.2
262.03119	0.5
262.95752	0.5
263.02679	0.5
272.94379	1.0
274.94098	1.6
274.97675	3.6
277.00778	2.6
277.10516	0.3
278.01138	0.7
279.00717	0.3
279.98267	1.0
280.96600	1.1
288.92026	0.5
290.95297	0.5
292.95200	1.3
297.99365	0.6
298.97653	34.4
299.04959	1.3
299.18881	0.5
299.97800	2.0
301.01056	1.1
316.95142	1.3
316.98788	1.1
321.99216	3.2
334.92709	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48829	0.9
51.83681	0.9
55.05508	2.5
55.36802	0.9
56.05018	2.1
67.05511	1.1
68.28664	0.9
69.03424	2.1
69.07022	1.2
69.77071	2.3
69.77470	5.3
70.06586	5.2
71.08627	3.5
71.43980	0.8
72.04512	2.3
72.08152	16.2
73.02899	1.1
81.07049	2.4
82.69923	1.0
83.27783	1.1
84.08152	2.8
85.02888	1.2
86.09703	2.8
88.11263	14.5
91.05472	3.9
95.04940	1.2
96.11816	0.9
97.02854	1.8
103.05493	1.1
110.07156	1.4
118.08668	3.8
120.08101	100.0
121.08440	2.0
122.06054	1.0
129.10194	1.1
130.17918	0.9
133.40005	1.0
134.89702	1.0
142.12291	3.0
147.09076	1.0
157.09787	1.3
160.13327	28.5
162.05498	1.1
166.08609	1.5
168.13857	5.2
177.10226	45.1
178.10558	1.3
205.09737	8.3
207.86560	1.2
221.06189	1.3
236.39230	1.0
242.17456	3.5
259.07257	1.2
260.18549	6.9
265.15488	1.3
279.05841	1.2
294.07462	1.1
304.21246	1.4
322.12900	4.6
322.21143	2.2
323.05463	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	322.2374
Annotation	Vanessine
Peak:m/z	Relative Intensity
50.36162	0.5
55.01864	0.8
55.05513	2.6
56.96556	1.2
57.07071	7.5
61.02915	0.6
67.05509	3.6
69.03405	1.2
69.07058	2.7
71.04974	0.8
71.59853	1.0
79.05489	1.9
81.07055	5.4
83.04968	1.7
83.08615	1.3
85.06522	2.4
89.06980	0.5
91.05457	1.0
93.07015	3.7
95.04958	1.8
95.08598	3.5
97.06492	1.1
97.10123	0.7
98.97575	0.7
99.97682	0.5
105.07008	2.2
107.08591	1.2
109.06508	3.5
109.10149	1.5
111.04426	0.6
116.98627	1.0
117.42280	0.5
119.08573	1.0
121.06521	1.5
121.10151	1.1
123.04428	1.7
123.08062	0.7
123.11754	0.7
125.05925	0.6
133.06465	0.7
133.10133	1.2
134.99643	1.5
135.08051	0.7
137.02350	0.6
137.05977	9.0
137.09659	0.7
138.06705	0.8
143.08559	0.7
146.99666	0.5
147.11664	0.8
149.05904	0.6
151.07555	4.0
151.11226	0.8
151.46928	0.5
157.10117	0.7
161.05963	1.9
163.89543	0.6
165.09125	0.7
167.10678	0.9
177.12823	0.8
179.10648	0.6
180.11432	3.5
185.13213	0.7
189.81969	0.5
193.12274	1.5
202.07822	0.6
203.08594	2.1
205.06534	0.6
221.15361	3.1
229.07497	1.0
231.08067	1.8
231.13800	0.6
247.07669	0.6
248.08397	1.8
259.07602	1.2
260.08328	1.1
263.10733	1.7
276.07629	0.7
277.00897	0.8
277.21585	2.3
290.09167	0.9
291.10135	5.1
304.22845	1.9
305.21066	13.0
308.10355	1.1
322.23749	100.0
323.09183	0.9
323.12738	7.0
323.24020	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	321.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01863	1.5
55.05509	19.1
56.96568	2.9
57.03433	2.0
57.07076	3.2
67.05500	13.3
69.03426	5.6
69.07065	13.9
71.00011	3.4
71.04987	3.2
72.08135	1.4
79.05491	8.3
79.33300	1.3
79.51768	1.1
81.03422	6.4
81.07052	31.1
83.04980	5.3
83.08625	4.2
85.02896	2.3
85.06557	2.4
86.09702	90.1
88.07647	2.1
91.05486	7.1
93.07041	20.8
95.05012	6.4
95.08604	26.3
96.08919	1.5
97.06540	4.6
97.10166	21.9
98.97575	2.4
99.04428	2.3
99.08093	1.7
101.05949	1.5
103.05467	5.3
105.07019	14.2
107.04953	1.8
107.08588	22.0
109.02892	2.1
109.05866	1.3
109.06466	6.3
109.10159	18.9
111.08074	2.1
111.11745	1.8
116.98644	3.9
117.03394	1.4
117.07044	1.7
119.04879	1.5
119.08573	13.7
120.08103	100.0
121.06493	1.7
121.08459	1.8
121.10127	13.1
123.08064	4.4
123.11700	11.8
125.09605	7.5
127.03905	1.9
127.11239	1.7
128.10713	48.1
131.04945	3.0
131.08580	4.7
132.10216	2.5
132.95883	2.1
133.10135	8.7
134.99677	2.6
135.08066	2.2
135.11700	8.7
137.09641	5.5
137.13252	2.6
139.11198	3.1
143.08578	1.4
143.10623	7.7
145.02859	3.9
145.10138	5.3
147.07950	1.8
147.11662	11.5
149.05992	2.7
149.09581	1.7
149.13271	4.3
150.96872	1.6
151.11159	2.2
155.10674	1.9
156.10194	12.5
157.10133	2.7
159.11690	4.4
161.09605	1.4
161.13272	4.2
161.52295	1.3
163.11176	3.0
163.14856	2.2
165.12749	2.3
166.08641	60.7
167.09082	1.2
167.10590	1.5
173.01183	1.6
173.13280	1.8
175.11240	1.7
175.14838	3.5
177.00723	1.9
177.05450	3.4
177.12669	1.8
179.14317	2.8
185.13380	1.4
186.18520	1.8
187.14807	2.3
189.16382	2.0
219.01828	1.8
230.21265	2.7
237.02783	3.7
255.03877	1.4
261.09052	1.4
267.21234	2.0
275.23813	1.5
279.03836	1.7
285.22107	3.1
289.08551	3.0
303.23163	12.5
321.10809	4.1
321.16751	2.9
321.24261	18.1
322.12518	1.3
322.25977	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	321.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72007	1.2
55.05503	1.8
57.07074	23.7
57.53220	1.2
58.79900	1.2
63.34955	1.4
67.05486	4.3
69.07069	5.9
71.08631	47.3
71.35150	2.7
73.06544	3.5
81.07036	3.2
83.04974	1.2
83.08598	3.5
85.09717	1.5
85.10184	22.7
87.04430	1.9
89.06030	100.0
91.05485	2.8
93.07030	2.5
95.04949	1.2
95.08615	2.7
98.98458	4.0
105.07050	2.4
107.07073	9.8
107.08593	4.7
109.06512	1.4
109.10108	2.0
119.08568	2.1
127.14828	2.2
130.08641	3.0
133.08601	31.0
135.11639	1.4
145.10072	1.5
151.09631	6.0
171.17459	1.7
177.11140	5.8
195.12271	17.2
209.04431	1.4
215.20050	2.6
304.09677	1.3
321.26474	4.6
322.10538	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	321.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
55.01877	2.1
55.05510	4.5
57.03429	1.8
64.61958	0.7
65.03929	1.7
67.05502	5.2
69.03426	53.4
69.07066	2.8
69.87882	4.1
71.04988	8.2
75.18721	0.8
79.05487	9.8
81.03413	23.6
81.07057	20.1
83.04966	4.1
85.02898	3.4
85.06548	0.9
87.04461	0.8
91.05479	17.0
93.07037	67.9
95.04958	8.7
95.08601	11.1
97.02901	2.3
97.06502	2.0
98.20815	1.4
99.04432	1.1
103.05506	0.9
105.07024	33.2
107.04952	2.2
107.08589	100.0
109.02863	2.4
109.06534	5.1
109.10168	3.6
111.04432	3.5
115.05449	0.8
117.07016	5.6
119.04942	1.6
119.08570	14.5
121.06534	4.7
121.10156	6.8
123.08064	16.3
123.11713	1.1
125.09648	0.7
127.03924	4.3
127.11187	1.7
128.06235	1.1
129.07001	2.1
130.07768	1.4
131.04831	0.7
131.08543	4.0
132.95869	1.0
133.06477	2.1
133.10124	13.5
135.08047	10.3
135.11685	58.4
136.11992	1.0
137.06021	1.1
137.09575	0.9
137.13242	1.4
142.07776	2.1
143.08562	2.1
145.02934	0.9
145.06410	1.3
145.10112	14.6
147.04411	1.0
147.08051	2.5
147.11685	16.4
149.09602	3.1
149.13243	1.6
151.11206	1.8
153.05437	1.4
155.08549	1.5
157.10141	4.9
159.08018	2.1
159.11717	1.7
161.09633	2.1
163.11176	36.9
165.12756	11.6
167.08597	1.1
169.10124	1.2
171.11644	1.6
173.09624	2.0
175.11166	10.8
177.05415	1.3
179.10707	1.5
185.09660	1.4
187.11162	1.2
187.14827	0.9
193.12234	24.6
197.13239	1.4
215.14377	2.9
217.12308	1.4
218.07204	0.8
225.12692	1.6
233.15431	1.4
243.13840	4.6
246.93080	0.8
261.14850	75.1
303.23093	1.5
321.10895	1.7
321.16946	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.8
53.03936	2.2
55.01845	1.1
55.05508	3.2
57.03411	1.1
65.03925	0.9
67.05497	3.9
67.63485	0.6
69.03423	54.2
69.07056	1.9
69.87068	4.2
70.94855	0.7
71.04993	5.6
72.38992	0.6
79.05484	8.2
80.17302	0.8
81.03409	18.7
81.07049	17.4
83.04974	4.4
84.08138	0.9
85.02912	3.5
87.04447	1.0
91.05472	15.1
93.07036	67.9
95.01283	0.6
95.04960	6.8
95.08597	8.3
97.02881	1.9
97.06544	2.0
97.48540	0.6
98.21444	1.2
99.04498	1.1
103.05469	1.2
105.07023	33.4
107.04935	2.7
107.08584	100.0
109.02865	1.9
109.06479	4.9
109.10150	2.8
111.04424	1.9
114.57481	0.6
115.03903	0.9
115.05453	0.8
117.07003	5.6
119.04964	1.0
119.08566	16.3
119.09344	1.3
121.06493	4.1
121.10127	6.6
123.04430	1.0
123.08055	9.9
127.03912	4.4
128.06172	0.7
129.06995	2.1
130.07787	0.9
131.08562	4.1
133.06516	3.4
133.10110	12.9
135.08057	8.8
135.11678	54.3
137.06055	0.9
137.13205	0.7
142.07733	1.7
143.08565	2.5
145.06546	1.6
145.10110	15.6
147.08018	1.9
147.11673	16.7
149.05904	0.9
149.09601	1.9
151.07532	0.9
151.11208	0.8
153.05475	0.9
155.08539	1.5
156.09291	0.7
157.10123	5.2
159.08067	0.9
159.11674	2.0
161.01843	0.7
161.09637	1.8
161.13309	0.8
163.11165	33.3
165.12756	10.2
175.11169	10.2
177.05464	1.0
177.12697	1.1
185.09659	1.7
187.11308	0.7
187.14729	1.0
189.12773	0.8
193.12228	22.2
197.13275	1.0
200.11967	0.9
201.12643	0.7
206.09552	0.7
215.14342	4.2
225.12753	1.0
233.15321	1.2
243.13815	5.2
261.14835	63.2
262.15338	0.8
303.16150	0.8
317.22226	0.8
321.16968	24.4
321.24475	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	8.5
57.59011	5.9
69.03407	8.7
69.21316	5.4
71.58896	12.2
81.03417	12.7
81.97772	6.9
82.06571	8.4
84.08141	10.6
98.97567	9.3
101.00873	14.4
102.05620	6.4
119.01894	38.8
129.02243	13.3
131.01866	12.6
133.03462	13.6
135.45087	6.0
137.02965	9.9
147.03256	16.4
161.03029	10.8
177.04256	13.5
182.94713	6.2
187.00822	13.4
189.02533	7.0
189.05965	9.8
195.05382	13.0
196.51114	6.5
200.99696	6.1
205.01976	8.5
215.00444	18.1
219.03200	9.2
237.02858	8.5
247.03003	37.1
261.08105	11.2
279.09189	17.2
291.07410	6.7
303.08835	7.2
321.08960	100.0
339.09656	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	321.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01870	1.3
55.05507	1.5
56.96547	1.0
66.59165	0.9
67.05178	1.1
67.05510	14.1
69.03425	1.1
79.05499	2.8
81.03425	1.2
81.07065	3.4
83.04972	0.8
88.73042	1.3
91.05473	4.9
93.07055	2.8
94.06027	1.0
94.06572	13.7
95.04977	1.7
95.08605	2.2
97.06528	1.7
105.07027	1.9
107.08618	1.4
108.08129	1.5
117.07056	1.4
118.06530	1.1
122.06033	48.9
123.04501	1.1
126.05574	1.0
133.10158	1.6
135.11676	0.9
136.07579	69.3
140.07088	1.9
143.08553	0.9
147.04378	1.2
162.05469	1.4
164.07074	100.0
165.07391	1.1
166.04939	1.0
177.05510	1.4
182.08130	70.4
227.41402	1.2
235.08035	0.9
243.11415	1.5
286.10852	1.2
303.13467	1.7
304.11771	3.6
321.10150	0.9
322.12729	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01891	0.4
55.05513	0.8
56.86182	0.4
57.03436	0.5
59.29937	0.4
60.04519	0.4
65.03961	0.5
67.05505	9.1
69.03426	0.7
69.07063	0.7
71.04987	0.8
71.58512	0.7
77.03922	0.6
79.05502	1.2
81.03416	0.8
81.07041	2.1
84.08142	0.6
85.02879	0.7
86.09670	0.7
91.05459	2.3
91.56499	0.4
93.07047	1.7
94.06569	10.1
95.04971	1.0
95.08606	0.9
97.06499	0.6
99.08062	0.5
101.33995	0.4
105.07028	0.9
107.08598	0.5
109.06529	0.5
109.10156	0.5
119.08591	0.8
121.06467	0.7
121.10123	0.6
122.06026	27.9
123.06377	0.5
123.11676	0.6
127.03881	0.7
133.10158	0.6
135.08064	0.7
135.11723	0.5
136.07573	63.9
137.07896	0.7
140.07059	1.7
143.69452	0.4
158.11748	0.5
160.13324	0.8
164.07062	100.0
165.07393	1.4
166.04976	0.6
177.05537	0.6
182.08125	60.8
243.11325	0.5
258.11160	0.8
286.10788	0.7
303.13147	0.5
304.11829	0.8
321.11075	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0246
Annotation	Luteic acid
Peak:m/z	Relative Intensity
69.03403	5.5
69.24530	42.7
78.95634	64.2
80.90468	4.6
85.10871	5.1
90.22888	4.2
94.93014	100.0
141.06598	4.6
149.93472	4.5
173.02869	4.8
192.98149	4.1
204.99799	8.4
219.03461	10.1
285.02475	7.6
303.00992	85.3
303.04242	9.7
321.01901	30.4
321.09528	44.7
332.88046	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	321.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41462	6.0
68.79581	4.9
70.75705	11.9
70.76039	6.4
78.95634	55.2
94.93025	11.8
108.52905	4.9
110.24231	4.6
132.72316	5.7
140.65370	5.3
146.08456	5.9
176.20694	5.8
179.78735	5.0
204.99788	7.4
222.45499	4.7
285.02472	9.6
303.03824	30.7
321.04688	15.6
321.09122	100.0
322.05469	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	318.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.4
55.05496	3.2
56.05027	4.7
56.96554	7.0
61.02913	14.7
63.81217	3.3
67.74084	3.2
69.03417	24.8
69.07056	4.9
70.06586	9.0
71.04991	5.7
71.58205	5.9
72.08144	8.5
73.02919	5.1
74.06075	4.3
79.05460	3.9
81.03411	12.7
83.04958	6.0
83.06081	4.2
84.04490	21.2
84.08125	7.7
85.02898	100.0
86.09698	67.9
87.10020	4.1
88.03972	9.3
91.03960	4.8
91.05492	4.6
93.07016	5.0
95.97796	3.6
96.04478	8.6
97.02900	29.8
98.02392	6.0
98.97578	7.0
99.04494	4.9
100.03976	6.0
102.05534	15.6
108.04481	5.4
109.02889	7.7
110.07166	4.3
111.72455	3.0
116.07102	4.5
116.98638	5.4
119.01910	12.8
121.06499	62.5
123.28868	3.5
124.03931	3.8
127.03892	21.0
132.10170	22.2
133.03481	6.8
134.15117	3.3
137.05910	3.2
138.05507	12.5
138.09085	6.0
141.06587	19.5
141.10225	6.0
145.04965	30.2
153.74844	3.2
154.42090	3.4
156.06532	6.8
156.10204	12.8
159.07626	27.0
163.03860	4.1
163.05981	3.9
180.08678	15.6
184.09689	4.1
187.07161	17.0
189.02373	7.4
191.79681	3.3
201.12321	40.8
203.03973	8.0
205.08611	3.9
231.64096	3.7
247.12961	5.0
249.04512	3.6
319.13660	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1811
Annotation	Ile Trp
Peak:m/z	Relative Intensity
55.05513	0.9
56.05030	0.9
56.96568	1.3
57.03447	0.6
60.04538	0.5
67.05499	0.9
69.03413	1.5
69.07066	14.3
70.06573	2.0
71.04998	0.6
71.20447	0.5
71.20790	0.7
72.08147	1.2
74.06078	1.0
79.05491	0.9
81.03400	0.9
81.07060	0.9
83.04989	0.9
84.04514	0.8
84.08138	1.6
84.29183	0.5
85.02894	1.1
86.09703	100.0
87.10036	2.2
88.03988	0.7
91.05479	1.3
93.07035	1.1
94.06574	0.6
95.04996	0.6
95.08595	0.6
96.04509	0.6
96.08114	0.7
97.02905	1.0
97.06528	0.9
98.97563	0.7
100.07655	0.7
100.11242	0.4
103.05476	0.7
105.07046	0.9
107.08610	0.9
109.02866	0.9
109.06580	0.6
109.10122	0.5
110.06057	0.6
110.07195	0.8
113.10797	0.5
116.98567	0.5
117.07035	0.5
118.06528	3.7
119.08652	0.4
120.08105	0.7
121.08537	0.4
121.10145	0.7
123.04382	0.6
124.07580	3.9
125.94195	0.4
127.04019	0.5
128.21573	0.4
129.10245	0.5
130.06551	1.3
132.08101	2.0
134.99625	0.8
137.05997	0.9
138.05505	0.9
138.08083	0.4
141.10233	1.9
143.07350	0.7
144.08063	4.3
145.09781	0.9
146.06006	20.0
146.11775	1.4
147.04378	0.5
149.05943	0.5
156.06528	0.8
159.09177	3.4
160.07516	0.5
170.06035	1.8
173.09258	0.6
177.00676	0.5
177.05479	0.5
185.09689	0.5
188.01639	1.6
188.07059	41.0
189.07542	1.2
205.09718	35.7
206.10204	0.5
216.01180	2.5
226.06181	0.5
247.16663	0.6
272.17783	0.7
273.03583	1.0
301.11853	1.6
318.06989	0.9
318.18033	5.4
318.21371	0.8
319.03979	0.7
319.12811	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.202
Annotation	Ser Val Leu
Peak:m/z	Relative Intensity
55.01845	0.5
55.05515	3.9
56.03589	0.6
56.96556	1.4
59.79237	0.6
60.04523	19.9
68.05018	0.6
69.07056	0.7
69.78021	3.8
70.02967	0.9
70.06578	1.3
72.08154	56.5
72.88998	0.5
73.08478	1.0
81.07048	0.9
81.53917	0.6
83.04971	0.6
84.04492	1.1
84.08137	1.1
85.02862	0.6
86.09703	25.4
87.05593	13.4
87.10014	0.6
96.08106	1.9
98.09686	0.8
98.20744	1.2
98.97583	1.5
110.07178	1.6
114.09168	16.8
116.98600	0.8
118.08681	0.7
118.95251	0.6
128.10713	1.2
129.10220	0.9
132.10217	5.2
134.70232	0.5
142.10893	0.6
156.00713	0.7
156.10149	0.7
157.01418	0.5
159.11287	100.0
160.11581	1.0
173.12866	15.4
177.00688	0.6
187.10779	30.3
188.11154	0.8
201.12331	5.0
205.11853	1.2
207.02293	0.8
231.17050	1.8
231.44344	0.6
234.08078	0.8
301.11890	0.8
319.12088	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03452	0.9
55.05505	2.6
56.05037	4.9
58.06595	2.8
59.47091	0.9
60.04520	4.4
62.45310	0.8
66.73514	0.8
68.05030	1.6
69.03423	2.1
70.02930	4.6
70.06589	6.0
71.04987	1.7
72.04513	12.4
72.08151	1.6
73.02917	1.3
73.07674	4.1
74.02444	8.9
74.06073	5.7
75.08285	0.8
77.99696	0.9
80.04992	1.3
81.03409	2.2
82.02944	1.9
82.06581	4.7
83.04974	3.4
83.06092	2.4
84.04504	9.3
84.08128	3.1
85.02918	0.8
85.87801	0.8
86.00625	0.9
86.06050	4.7
86.09695	3.7
94.06573	2.6
95.04933	1.4
96.04478	2.6
97.02921	1.1
97.07635	5.5
98.05414	1.9
98.06052	35.1
98.20799	0.9
99.04474	5.5
99.05560	8.1
99.09232	1.4
100.03976	3.9
100.05090	2.9
100.07618	2.1
102.05544	1.1
108.04533	0.9
109.07664	1.4
110.06039	2.4
112.04015	1.0
112.07589	4.5
114.05516	2.4
115.08693	8.5
116.07094	12.9
117.06630	1.5
118.05036	5.9
121.07764	1.0
126.07704	1.6
127.06189	1.1
128.07106	2.2
130.04979	1.4
130.08661	2.1
136.06145	1.3
138.05508	1.5
139.05954	1.0
139.08650	1.9
140.07050	7.4
141.05475	3.5
145.06059	8.7
146.04474	15.2
154.07288	1.0
155.08112	0.9
156.06505	1.4
157.09723	2.7
158.08119	100.0
159.06505	1.7
163.03941	1.0
163.07104	11.4
174.07663	2.7
175.10786	9.7
189.08743	1.4
201.08662	2.1
284.12628	1.2
302.13403	3.2
320.14362	1.8
330.82550	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.3
55.05510	4.5
56.05047	2.6
56.96550	4.2
56.99507	2.1
57.03428	5.6
60.04517	3.3
60.58846	2.7
61.02919	9.0
63.27848	2.3
67.05493	3.0
69.03421	21.2
69.07079	4.7
70.06592	55.9
70.07402	2.5
71.04982	5.2
71.59026	3.5
72.08165	25.3
73.02924	5.4
74.06075	12.4
80.72860	2.6
81.03425	14.2
81.07050	2.8
82.06570	3.5
83.04961	2.9
84.04504	7.4
84.08140	11.6
85.02904	100.0
85.55276	2.5
86.09702	14.5
87.04472	4.1
87.10072	2.5
88.03984	3.4
91.03967	4.6
91.05482	7.7
93.07035	6.3
95.04982	3.4
97.02901	22.5
99.04464	3.6
109.02864	8.0
110.07143	7.0
111.04414	2.7
118.06511	2.5
118.74160	2.7
121.06501	76.8
121.07368	4.4
127.03898	20.5
128.10736	5.0
130.06551	12.4
132.08156	2.7
138.05458	7.3
138.09131	2.8
145.02925	3.2
145.04947	35.7
146.06039	6.1
147.04430	3.8
153.92268	2.4
156.06573	6.4
156.07806	5.7
156.10220	3.7
158.06128	2.9
159.08075	5.3
163.03923	7.5
163.06030	6.1
163.07278	3.2
169.09735	10.5
173.09326	2.4
173.12856	5.9
175.08742	7.1
177.00647	2.8
187.07559	17.5
188.07085	9.0
201.12384	7.4
205.08621	7.8
216.01250	3.2
219.13390	6.1
221.09161	5.9
229.08647	3.9
236.12260	2.7
247.09819	4.2
303.04865	2.6
318.06900	3.2
318.12390	10.1
318.30063	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19350	0.3
53.03945	0.6
55.01852	0.7
55.05495	1.1
55.71773	0.3
56.05025	0.5
56.96549	0.6
57.03425	1.3
58.65395	0.4
60.04522	4.5
61.02908	1.1
67.05489	0.8
69.03432	3.5
69.07067	2.8
70.06583	2.2
71.04982	0.8
71.58804	0.7
72.08158	2.0
73.02898	0.9
76.02228	0.4
78.95711	0.3
79.05469	1.1
80.04996	0.6
81.03413	2.0
81.07059	0.7
82.02944	0.5
82.06569	1.3
83.04962	1.0
83.08604	0.4
84.04488	1.4
84.08131	2.1
85.02415	0.6
85.02900	7.7
86.09699	20.0
87.00747	0.3
87.01270	0.3
87.04443	0.5
87.05585	2.3
91.03913	0.4
91.05465	1.1
93.07031	1.7
95.06106	0.3
95.08616	1.6
96.04482	3.9
96.08127	2.8
97.02880	3.2
97.05279	2.1
97.06514	1.4
98.06020	0.4
98.09707	0.4
98.97587	0.5
99.04436	0.7
100.07596	1.6
102.05583	0.5
103.05465	0.3
105.06586	0.6
107.04991	0.4
108.08099	0.6
109.02866	1.1
109.06506	0.8
110.06036	7.7
110.07158	1.7
110.09674	3.9
111.04427	0.4
111.08060	0.7
116.98587	0.5
118.08633	0.5
119.20271	0.4
120.08103	2.1
121.02808	0.7
121.06487	1.6
123.06760	0.5
125.08356	1.0
126.09146	9.9
127.03909	1.7
128.10701	2.9
129.10220	0.8
134.08154	0.4
134.99730	0.5
137.02293	1.8
137.05934	0.8
138.09128	21.8
139.07526	1.2
139.09520	0.4
145.04958	0.5
146.06099	0.4
146.99622	0.4
153.01846	1.6
156.10188	100.0
157.07616	0.4
157.10522	1.5
163.03845	0.5
166.02657	0.4
168.10201	0.9
169.01321	0.8
173.12852	21.4
177.00687	0.7
177.05400	0.4
179.02261	0.6
180.10262	0.5
188.01749	0.5
195.02837	0.3
198.11142	0.8
201.12354	4.4
216.01134	1.0
219.01814	0.5
231.01898	0.5
231.17180	0.4
237.02834	0.4
245.04372	1.2
261.03986	0.5
273.03925	2.5
273.06570	0.4
273.12247	0.5
290.03857	0.5
296.30139	0.4
301.03259	0.7
301.11844	0.6
303.04709	0.7
318.03510	2.4
318.06866	1.3
318.12311	1.3
318.15460	1.4
318.30078	0.5
319.04456	8.4
337.11752	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1019
Annotation	Teucrol
Peak:m/z	Relative Intensity
55.01870	0.3
55.05479	0.2
56.96544	0.3
65.62276	0.1
66.04728	0.2
67.05486	0.4
69.03417	0.2
69.07065	0.1
69.80184	0.3
69.80598	0.4
70.00894	0.1
72.34229	0.1
79.05479	0.6
81.07052	0.5
90.66984	0.1
91.05473	0.7
91.05933	0.1
93.07049	0.3
94.04181	2.2
95.04962	0.3
95.08591	0.4
105.03368	0.1
105.07023	0.4
107.04942	0.5
107.08578	0.3
109.06491	0.3
109.10163	0.2
116.98604	0.1
119.08578	0.5
121.10184	0.3
122.03642	7.3
123.08056	0.1
125.05981	0.3
131.08569	0.1
133.10056	0.2
134.99628	0.2
135.04410	0.2
137.05969	100.0
138.06317	1.8
143.08536	0.1
145.06398	0.1
145.10077	0.2
147.11658	0.1
157.10052	0.2
160.07526	0.1
163.03918	0.1
163.11172	0.1
167.03369	0.3
167.61682	0.1
170.09639	0.2
173.09703	0.1
181.04921	1.1
185.04355	0.2
187.12402	0.2
198.09134	0.4
215.11743	0.4
226.08688	0.2
232.50476	0.1
243.11281	1.5
243.13585	0.2
246.69464	0.1
257.09109	0.1
271.10666	0.1
285.12320	1.9
299.10181	0.1
299.20132	0.1
304.95691	0.1
317.06567	0.4
317.10159	1.1
317.14172	0.3
317.21021	0.5
327.02481	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	317.1022
Annotation	Teucrol
Peak:m/z	Relative Intensity
51.02378	0.1
53.03939	0.1
55.01857	0.1
55.05510	0.1
64.37704	0.1
65.03927	0.2
66.04724	0.3
67.01890	0.2
67.05522	0.1
79.05499	0.7
81.03427	0.1
81.07066	0.5
86.09701	0.1
86.42699	0.1
91.05489	0.7
93.07066	0.2
94.04186	2.5
95.04944	0.2
95.08604	0.1
97.10194	0.1
98.97635	0.1
105.07021	0.1
107.04964	0.3
107.08598	0.2
109.06509	0.2
109.10156	0.1
119.08582	0.2
121.06498	0.1
121.10143	0.1
122.03649	7.9
125.05983	0.3
133.10153	0.1
135.04402	0.2
135.08054	0.1
136.07590	0.1
137.05980	100.0
138.06305	1.1
143.08545	0.1
145.10193	0.1
153.01808	0.1
153.05537	0.2
157.10007	0.1
161.09615	0.2
167.03378	0.4
173.92166	0.1
175.11113	0.2
181.04967	1.1
185.04456	0.2
185.05991	0.1
229.98286	0.1
281.18845	0.1
299.20050	0.1
302.04251	0.3
317.06506	0.8
317.10242	1.1
317.21118	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.2
55.01867	0.3
55.05487	0.3
56.96557	0.4
57.03430	0.2
65.03918	0.3
66.04703	0.3
67.05491	0.5
68.99775	0.2
69.03413	0.3
69.07050	0.3
70.06586	0.8
71.04981	0.4
71.06909	0.3
71.59876	0.1
73.02914	0.1
78.45156	0.1
79.05487	0.9
81.03407	0.3
81.07053	1.2
82.07465	0.1
83.04975	0.2
84.08145	0.2
85.02917	0.8
86.09711	0.3
87.04443	0.1
90.64158	0.1
91.05473	0.9
93.07027	0.4
94.04183	2.2
95.04960	0.6
95.08595	0.7
97.02901	0.4
98.97602	0.3
99.04437	0.1
105.07018	0.5
107.04945	0.3
107.08595	0.4
109.02870	0.3
109.06499	0.4
109.10131	0.4
109.51173	0.1
115.05458	0.1
116.98573	0.2
119.08556	0.5
121.06500	0.2
121.10107	0.3
122.03642	6.6
123.08070	0.1
123.11673	0.1
125.09655	0.1
127.03953	0.2
131.08568	0.3
133.10207	0.3
134.99617	0.1
135.04376	0.2
135.08080	0.2
135.11693	0.2
137.05971	100.0
138.06300	1.4
143.08591	0.2
145.10135	0.4
147.08025	0.2
153.01852	0.9
153.05368	0.1
154.18169	0.1
155.08650	0.1
157.73927	0.1
159.11743	0.2
161.09599	0.3
163.03929	0.2
163.11292	0.2
167.03363	0.2
177.00732	0.2
177.05383	0.1
181.04965	0.6
183.11845	0.2
184.15302	0.2
191.10635	0.1
197.13159	0.1
217.04921	0.2
229.04895	0.3
245.04242	0.1
253.19498	0.2
257.04523	0.2
271.20605	0.3
274.04514	0.2
285.03925	0.3
287.05466	0.3
289.03281	0.2
299.19901	0.4
302.04291	1.0
303.05045	0.2
317.02921	0.4
317.06549	3.9
317.10275	1.7
317.14090	0.2
317.21198	0.6
318.06888	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.2
53.03929	0.2
55.05506	0.4
56.96569	0.2
59.18877	0.2
65.03925	0.7
66.04710	0.3
67.05495	0.7
68.99787	0.3
69.03434	0.4
69.07053	0.4
70.69800	0.5
79.05478	1.1
81.03416	0.2
81.07045	1.3
83.04979	0.4
85.02934	0.2
89.57912	0.2
91.05492	1.4
92.02617	0.9
93.03397	0.8
93.07030	0.9
94.04197	2.3
95.04935	0.6
95.08598	0.7
97.02892	0.3
97.06517	0.3
98.61877	0.2
105.07047	0.8
107.04961	0.8
107.08591	0.9
109.06498	0.7
109.10149	0.4
111.00814	0.2
111.04462	0.2
111.08086	0.3
116.98592	0.3
117.07009	0.2
119.08547	1.0
121.02865	0.7
121.06514	0.5
121.10140	0.5
122.03645	6.7
125.05994	0.3
125.09665	0.2
126.03120	0.4
129.06999	0.2
131.04974	0.2
131.08533	0.4
133.06435	0.2
133.10112	0.3
135.04379	0.4
135.08049	0.5
136.07552	0.2
137.05969	100.0
138.06299	1.4
139.03891	0.5
142.07758	0.2
143.08543	0.3
145.06480	0.2
145.10130	0.7
147.07997	0.6
147.11668	0.3
148.07541	0.2
149.09659	0.3
151.03883	1.2
151.11180	0.2
153.01826	5.1
154.02272	0.2
155.08490	0.2
157.06436	0.2
157.10118	0.5
159.08066	0.3
159.11700	0.5
161.09616	0.4
161.13148	0.2
163.03854	0.3
165.01865	0.3
167.03598	0.2
169.78818	0.2
171.02766	0.2
173.09628	0.3
173.13287	0.2
175.11194	0.3
177.09253	0.2
181.04997	0.9
189.12672	0.2
191.85916	0.2
194.08162	0.2
195.07953	0.3
200.04784	0.2
201.05469	0.5
203.03461	0.5
213.09125	0.4
217.05016	1.1
218.05688	0.4
228.04228	0.9
229.04913	2.0
245.04443	1.0
246.05247	0.8
257.04483	1.3
261.07687	0.3
271.20584	0.3
273.03909	0.9
274.04675	2.1
281.19327	0.2
284.03189	0.2
285.03925	2.4
299.20010	0.4
302.04218	7.0
303.04602	0.3
317.06564	31.5
317.09985	1.8
317.21082	2.2
318.06900	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54165	0.3
53.03954	0.5
54.74018	0.3
55.05490	0.6
55.45823	0.4
67.05505	0.6
69.03423	0.7
69.07082	0.3
69.39365	3.0
79.05481	1.4
81.07054	3.2
83.04960	0.3
88.73023	0.3
91.05481	1.7
92.02595	0.6
93.03414	0.5
93.07026	1.3
94.04201	1.9
95.04961	0.5
95.08579	1.0
97.06536	0.5
105.07037	1.3
107.04923	0.5
107.08624	0.8
109.06522	0.5
109.10157	0.6
119.08589	1.2
121.02890	0.7
121.06492	0.4
121.10136	0.6
122.03645	5.5
123.08077	0.3
133.10139	0.9
135.08066	0.8
135.11670	0.4
137.05980	100.0
137.13257	0.4
138.06313	1.2
139.03934	0.4
143.08577	0.5
145.10124	0.8
147.04332	0.3
147.11662	0.5
151.03957	0.7
153.01828	4.2
157.10117	0.5
159.11668	0.5
161.09634	0.7
165.01768	0.4
173.09534	0.4
173.13179	0.6
175.11288	0.3
181.04976	0.9
203.03360	0.5
217.04933	0.6
228.04198	0.9
229.04988	1.5
244.01245	0.4
245.04530	0.9
257.04355	0.7
273.03958	0.6
274.04724	1.8
285.03922	2.2
299.19946	0.7
302.04227	5.3
317.06583	22.2
317.10025	2.0
317.21115	1.8
317.24860	0.8
318.06918	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.2
52.95895	0.2
55.01877	0.2
55.05493	0.3
56.96554	0.2
57.03435	0.2
65.03941	0.3
66.04738	0.3
67.05496	0.5
69.03428	0.4
69.07059	1.0
69.53983	0.2
69.54298	1.5
70.06580	0.4
71.04995	0.9
72.04520	0.3
79.05487	0.9
81.03380	0.3
81.07074	0.9
82.02944	0.3
83.04975	0.5
84.04508	0.5
84.08121	0.9
84.08575	0.2
85.02905	1.1
86.09702	2.1
91.05488	1.3
93.07048	0.6
94.04184	2.1
95.04967	0.3
95.08595	0.4
97.02901	0.4
98.06039	0.2
99.05563	0.2
100.03969	0.4
100.11247	0.2
103.05479	0.2
104.03444	0.4
105.07010	0.6
107.04952	1.0
107.08583	0.7
108.08039	0.2
109.06502	0.4
109.10155	0.3
110.06036	0.2
111.04396	0.3
116.98692	0.2
119.08575	0.3
121.06523	0.2
121.10109	0.3
122.03648	7.7
122.09641	0.8
124.07492	0.3
125.05925	0.2
127.03889	0.2
131.08530	0.4
135.04417	0.4
135.08025	0.3
137.05974	100.0
138.06331	1.4
145.06111	0.2
145.10120	0.4
146.04477	0.3
146.05965	0.2
150.09146	0.9
151.03902	0.2
153.01831	0.7
155.08258	0.2
158.04486	0.2
161.09656	0.3
163.03952	0.3
166.37198	0.2
167.03398	0.4
167.11832	0.5
168.10213	0.6
181.04912	1.2
186.03996	0.2
191.03650	0.2
193.05110	0.2
213.05083	0.3
213.12401	0.3
215.14450	0.2
229.13412	0.5
231.06166	0.8
234.98997	0.2
245.04582	0.2
253.19458	0.3
261.03836	0.2
271.06448	0.2
271.10284	0.3
273.18890	0.2
274.04807	0.4
285.04019	0.3
289.03400	0.5
289.15390	0.3
299.12402	0.4
299.20096	0.4
302.04221	0.6
303.04837	0.3
317.02966	0.7
317.06573	4.1
317.10281	1.4
317.14395	0.2
317.21396	0.7
320.81906	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.2
52.95895	0.2
55.01877	0.2
55.05493	0.3
56.96554	0.2
57.03435	0.2
65.03941	0.3
66.04738	0.3
67.05496	0.5
69.03428	0.4
69.07059	1.0
69.53983	0.2
69.54298	1.5
70.06580	0.4
71.04995	0.9
72.04520	0.3
79.05487	0.9
81.03380	0.3
81.07074	0.9
82.02944	0.3
83.04975	0.5
84.04508	0.5
84.08121	0.9
84.08575	0.2
85.02905	1.1
86.09702	2.1
91.05488	1.3
93.07048	0.6
94.04184	2.1
95.04967	0.3
95.08595	0.4
97.02901	0.4
98.06039	0.2
99.05563	0.2
100.03969	0.4
100.11247	0.2
103.05479	0.2
104.03444	0.4
105.07010	0.6
107.04952	1.0
107.08583	0.7
108.08039	0.2
109.06502	0.4
109.10155	0.3
110.06036	0.2
111.04396	0.3
116.98692	0.2
119.08575	0.3
121.06523	0.2
121.10109	0.3
122.03648	7.7
122.09641	0.8
124.07492	0.3
125.05925	0.2
127.03889	0.2
131.08530	0.4
135.04417	0.4
135.08025	0.3
137.05974	100.0
138.06331	1.4
145.06111	0.2
145.10120	0.4
146.04477	0.3
146.05965	0.2
150.09146	0.9
151.03902	0.2
153.01831	0.7
155.08258	0.2
158.04486	0.2
161.09656	0.3
163.03952	0.3
166.37198	0.2
167.03398	0.4
167.11832	0.5
168.10213	0.6
181.04912	1.2
186.03996	0.2
191.03650	0.2
193.05110	0.2
213.05083	0.3
213.12401	0.3
215.14450	0.2
229.13412	0.5
231.06166	0.8
234.98997	0.2
245.04582	0.2
253.19458	0.3
261.03836	0.2
271.06448	0.2
271.10284	0.3
273.18890	0.2
274.04807	0.4
285.04019	0.3
289.03400	0.5
289.15390	0.3
299.12402	0.4
299.20096	0.4
302.04221	0.6
303.04837	0.3
317.02966	0.7
317.06573	4.1
317.10281	1.4
317.14395	0.2
317.21396	0.7
320.81906	0.2
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
55.01855	0.2
55.05486	0.3
55.93386	0.2
56.05013	0.2
56.96547	0.2
57.03433	0.3
60.04519	0.3
65.03947	1.0
66.36155	0.2
67.05485	0.5
68.05032	0.2
68.99773	0.9
69.03418	0.7
69.07064	1.3
70.06596	0.9
71.04980	0.3
71.58871	0.2
72.04510	0.7
72.08144	0.4
73.02911	0.3
79.05492	0.3
81.03407	0.4
81.07053	0.6
82.02927	0.6
83.04978	0.3
84.04510	0.3
84.08144	1.5
85.02888	0.7
85.08453	0.3
85.23101	0.2
86.09702	3.7
86.10226	0.2
87.00771	0.2
88.03974	0.2
90.39700	0.2
91.05468	0.8
92.02621	3.2
92.05005	0.2
93.03397	2.9
93.07040	0.4
95.04968	0.6
95.08589	0.3
97.02869	0.3
97.03974	0.2
98.97571	0.3
99.05556	0.2
100.03967	0.4
102.09175	0.3
102.89410	0.2
103.05466	0.2
104.03441	0.5
107.04963	0.2
107.08609	0.3
109.02882	0.2
109.06518	0.2
109.10131	0.2
110.07157	0.8
111.00810	0.4
116.98620	0.3
117.21543	0.2
119.08543	0.3
120.04426	0.5
120.08105	0.4
121.02853	2.3
121.06572	0.2
122.03635	0.4
122.09647	0.3
123.04462	0.3
126.03124	1.2
127.03899	0.6
129.09161	0.2
129.10217	0.7
131.04939	0.2
135.04416	0.2
135.08005	0.2
137.02280	1.1
137.05975	0.6
138.05498	0.2
139.03888	1.7
140.10738	0.2
145.06120	0.3
145.10059	0.2
146.04471	0.3
149.05930	0.3
150.03082	0.4
150.09143	0.4
151.03931	2.4
151.05070	0.3
153.01817	18.0
155.04971	0.4
156.10164	0.3
158.04454	0.4
163.03864	0.5
165.01823	1.2
166.02579	0.3
166.06081	0.2
168.10213	0.3
169.06587	0.2
173.05945	0.4
176.04703	0.2
177.05493	0.6
179.03409	0.4
183.02818	0.2
183.04364	0.2
185.05663	0.2
187.03877	0.3
192.04091	0.2
199.08797	0.2
200.04683	0.6
201.05420	2.0
203.03387	1.4
204.04111	0.4
205.04982	0.2
209.10616	0.2
215.03429	0.2
217.04973	3.1
218.05734	1.2
219.02959	0.8
228.04164	3.8
229.04951	7.9
231.02815	1.2
231.06117	0.7
232.03699	0.2
233.04417	0.3
241.09755	0.2
243.06416	0.3
245.04434	4.2
246.05255	3.2
256.03662	0.4
257.04440	4.8
260.03091	1.0
271.06113	0.3
273.03900	3.2
274.01682	0.3
274.04691	6.8
284.03149	0.7
285.03922	8.0
286.04352	0.3
287.01852	0.4
287.10284	0.9
288.06277	0.4
299.09927	0.3
301.03430	0.4
302.04202	22.5
303.04581	0.3
317.06534	100.0
318.06836	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87527	0.1
57.65316	0.1
57.95844	0.1
60.90990	0.1
62.91679	0.1
63.79129	0.1
64.54175	0.1
65.03937	0.9
67.01868	0.3
67.05487	0.4
68.76269	0.1
68.99780	0.7
69.03414	0.5
69.07055	0.4
69.59035	1.1
77.63865	0.1
79.05474	0.5
81.03388	0.3
81.07024	0.5
85.02882	0.3
89.79472	0.1
91.05464	0.4
92.02609	3.2
93.03393	3.0
93.07036	0.5
94.04157	0.2
95.04949	0.4
95.08584	0.4
97.39986	0.2
105.07012	0.6
107.04927	0.6
107.08599	0.2
108.02077	0.2
108.04415	0.1
109.02837	0.5
109.06537	0.1
109.10180	0.1
111.00770	0.4
116.98557	0.2
117.06948	0.2
119.08578	0.3
121.02859	2.3
121.10136	0.2
122.03621	0.3
123.04414	0.4
124.01547	0.2
126.03104	1.6
131.04936	0.2
131.08545	0.2
133.02834	0.2
133.06404	0.2
133.10118	0.3
135.08049	0.2
135.11710	0.2
137.02284	0.6
137.05951	2.1
139.03877	1.5
143.08560	0.2
145.06467	0.3
145.10091	0.2
147.11700	0.2
149.02298	0.2
150.03152	0.2
151.03903	1.5
151.07471	0.2
153.01810	18.9
154.02397	0.2
155.04878	0.4
157.10104	0.3
161.05980	0.2
161.09662	0.3
163.03908	0.4
165.01819	1.0
166.02563	0.5
170.02112	0.3
171.11740	0.2
173.05968	0.5
176.04614	0.2
177.05466	0.5
179.03398	0.4
183.02895	0.3
183.04323	0.3
187.03792	0.3
189.05460	0.2
190.06122	0.2
192.04129	0.2
197.13130	0.2
200.04683	0.9
201.05476	1.7
203.03378	1.8
204.04166	0.2
215.03505	0.2
217.04942	3.5
218.05716	1.4
219.02921	0.6
228.04152	4.4
229.04932	7.6
231.02893	1.3
239.03343	0.2
242.70235	0.1
243.06505	0.3
245.04453	4.3
246.05180	3.7
253.19400	0.2
256.03613	0.7
257.04434	5.0
258.05090	0.4
260.03070	0.6
261.07581	0.6
271.05936	0.5
271.20532	0.3
273.03894	3.5
273.06699	0.3
274.01651	0.3
274.04681	7.5
284.03076	0.9
285.03903	8.6
286.04617	0.2
287.01776	0.3
288.06168	0.3
299.19980	0.4
301.03430	0.5
302.04181	22.5
303.04501	0.3
317.06519	100.0
318.06918	2.1
332.62045	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.01855	0.2
55.05486	0.3
55.93386	0.2
56.05013	0.2
56.96547	0.2
57.03433	0.3
60.04519	0.3
65.03947	1.0
66.36155	0.2
67.05485	0.5
68.05032	0.2
68.99773	0.9
69.03418	0.7
69.07064	1.3
70.06596	0.9
71.04980	0.3
71.58871	0.2
72.04510	0.7
72.08144	0.4
73.02911	0.3
79.05492	0.3
81.03407	0.4
81.07053	0.6
82.02927	0.6
83.04978	0.3
84.04510	0.3
84.08144	1.5
85.02888	0.7
85.08453	0.3
85.23101	0.2
86.09702	3.7
86.10226	0.2
87.00771	0.2
88.03974	0.2
90.39700	0.2
91.05468	0.8
92.02621	3.2
92.05005	0.2
93.03397	2.9
93.07040	0.4
95.04968	0.6
95.08589	0.3
97.02869	0.3
97.03974	0.2
98.97571	0.3
99.05556	0.2
100.03967	0.4
102.09175	0.3
102.89410	0.2
103.05466	0.2
104.03441	0.5
107.04963	0.2
107.08609	0.3
109.02882	0.2
109.06518	0.2
109.10131	0.2
110.07157	0.8
111.00810	0.4
116.98620	0.3
117.21543	0.2
119.08543	0.3
120.04426	0.5
120.08105	0.4
121.02853	2.3
121.06572	0.2
122.03635	0.4
122.09647	0.3
123.04462	0.3
126.03124	1.2
127.03899	0.6
129.09161	0.2
129.10217	0.7
131.04939	0.2
135.04416	0.2
135.08005	0.2
137.02280	1.1
137.05975	0.6
138.05498	0.2
139.03888	1.7
140.10738	0.2
145.06120	0.3
145.10059	0.2
146.04471	0.3
149.05930	0.3
150.03082	0.4
150.09143	0.4
151.03931	2.4
151.05070	0.3
153.01817	18.0
155.04971	0.4
156.10164	0.3
158.04454	0.4
163.03864	0.5
165.01823	1.2
166.02579	0.3
166.06081	0.2
168.10213	0.3
169.06587	0.2
173.05945	0.4
176.04703	0.2
177.05493	0.6
179.03409	0.4
183.02818	0.2
183.04364	0.2
185.05663	0.2
187.03877	0.3
192.04091	0.2
199.08797	0.2
200.04683	0.6
201.05420	2.0
203.03387	1.4
204.04111	0.4
205.04982	0.2
209.10616	0.2
215.03429	0.2
217.04973	3.1
218.05734	1.2
219.02959	0.8
228.04164	3.8
229.04951	7.9
231.02815	1.2
231.06117	0.7
232.03699	0.2
233.04417	0.3
241.09755	0.2
243.06416	0.3
245.04434	4.2
246.05255	3.2
256.03662	0.4
257.04440	4.8
260.03091	1.0
271.06113	0.3
273.03900	3.2
274.01682	0.3
274.04691	6.8
284.03149	0.7
285.03922	8.0
286.04352	0.3
287.01852	0.4
287.10284	0.9
288.06277	0.4
299.09927	0.3
301.03430	0.4
302.04202	22.5
303.04581	0.3
317.06534	100.0
318.06836	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
54.58480	0.1
55.01868	0.2
55.05492	0.2
65.03943	0.8
67.05502	0.4
68.99776	0.7
69.03419	0.4
69.28215	0.3
69.28632	1.1
70.06578	0.2
72.08156	0.3
79.05498	0.3
79.75424	0.1
79.83468	0.1
81.03416	0.3
81.07058	0.4
83.37794	0.1
85.02914	0.3
86.09711	0.3
91.05474	0.3
92.02625	3.3
93.03407	2.8
93.07050	0.2
94.04180	0.4
95.01328	0.1
95.04942	0.3
95.08604	0.4
97.02860	0.1
98.20701	0.3
103.05450	0.1
105.03355	0.2
105.07014	0.4
107.04978	0.1
107.08587	0.3
109.02883	0.3
109.06530	0.2
111.00814	0.3
117.06997	0.2
119.08561	0.3
120.02068	0.2
121.02864	1.9
121.10186	0.2
122.03661	1.2
123.04422	0.2
124.05215	0.2
126.03120	1.0
127.03890	0.2
131.04919	0.2
133.02882	0.3
135.04456	0.2
135.08052	0.2
137.02379	0.7
137.05977	13.1
138.06348	0.1
139.03897	1.6
143.08565	0.1
145.06508	0.3
145.10123	0.2
150.03123	0.2
151.03893	1.6
151.04979	0.2
153.01830	17.4
155.04942	0.3
161.06006	0.3
163.03902	0.3
165.01848	1.3
166.02646	0.2
168.00609	0.1
170.02106	0.2
173.05974	0.6
175.07571	0.2
176.04817	0.2
177.05478	0.5
179.03349	0.2
183.02951	0.3
183.04364	0.3
187.03845	0.4
187.11168	0.1
189.05568	0.2
190.02573	0.2
190.06345	0.2
192.04276	0.2
200.04671	0.9
201.05510	2.1
203.03357	1.5
204.04218	0.3
213.05484	0.2
217.04974	3.5
218.05713	1.7
219.02864	0.6
228.04156	4.2
229.04956	7.8
230.05531	0.2
231.02901	1.0
232.03476	0.2
243.06589	0.2
245.04466	4.0
246.05240	3.4
247.02397	0.2
256.03690	0.6
257.04453	5.2
258.05215	0.2
260.03192	0.9
261.04126	0.2
261.07629	0.5
271.05991	0.3
273.03928	3.6
274.00220	0.2
274.04715	7.0
284.03265	0.9
285.03937	8.0
286.04437	0.3
287.01926	0.1
288.06244	0.3
299.19974	0.3
301.03381	0.5
302.04218	22.7
303.04642	0.8
317.06555	100.0
318.03192	0.2
318.06876	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.01849	0.3
55.05475	0.4
65.03939	0.8
67.01837	0.2
67.05475	0.5
68.99780	0.9
69.03403	0.3
69.07041	0.3
71.04952	0.2
71.13141	0.2
76.04021	0.1
79.05457	0.6
81.03400	0.4
81.07024	0.6
83.04947	0.3
83.79609	0.1
85.02889	0.2
85.06514	0.2
86.09672	0.2
88.23684	0.1
91.05429	0.6
91.05930	0.1
91.19203	0.1
92.02618	3.3
93.02824	0.2
93.03394	2.9
93.07025	0.7
94.04157	0.3
95.04932	0.5
95.08587	0.7
97.06484	0.2
105.07031	0.9
107.04945	0.2
107.08563	0.6
109.02862	0.4
109.10130	0.3
111.00769	0.5
111.04413	0.2
115.05429	0.2
117.07027	0.3
119.08601	0.9
121.02869	2.1
121.06483	0.2
121.10111	0.5
122.03593	0.5
123.04402	0.3
123.08031	0.2
124.01567	0.2
126.03116	1.3
128.06160	0.2
131.04903	0.3
131.08546	0.5
133.02814	0.2
133.10092	0.6
135.04349	0.3
135.08014	0.5
135.11649	0.1
137.02325	0.7
137.05000	0.2
137.05974	3.5
137.09552	0.1
139.03888	1.9
142.07738	0.3
143.08531	0.4
143.65199	0.2
145.06490	0.3
145.10095	0.3
147.04376	0.2
147.08089	0.3
147.11600	0.2
149.02312	0.2
149.05896	0.2
149.09624	0.2
150.03152	0.2
151.03899	1.9
153.01819	17.8
155.04942	0.3
157.10126	0.5
159.07933	0.2
159.11661	0.2
161.05951	0.3
161.09610	0.3
163.03893	0.5
165.01828	1.1
166.02605	0.4
167.08569	0.3
169.10132	0.1
170.02087	0.3
172.05269	0.1
173.02434	0.1
173.05946	0.6
176.04539	0.2
177.01900	0.2
177.05438	0.6
179.03386	0.3
183.02927	0.3
183.04401	0.5
185.09528	0.3
185.13254	0.1
187.03870	0.3
189.05458	0.4
190.06207	0.2
192.04070	0.2
195.08067	0.4
200.04663	1.0
201.05472	1.4
203.03389	1.6
204.04245	0.3
205.04997	0.2
213.09131	0.4
217.04936	2.9
218.05663	1.1
219.02872	0.5
228.04147	3.9
229.04942	7.5
231.02859	1.2
233.04419	0.2
234.98991	0.4
239.03296	0.3
243.06529	0.3
245.04453	4.0
246.05211	4.0
256.03726	0.7
257.04446	4.8
260.03110	0.8
261.07584	0.5
271.05954	0.6
273.03882	3.6
274.04694	7.1
281.18890	0.2
284.03104	1.2
285.03918	7.7
286.04373	0.3
287.01837	0.2
288.06332	0.2
299.19830	0.3
301.03442	0.5
302.04193	22.0
303.04523	0.4
317.06537	100.0
318.06870	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.3
55.05475	0.4
65.03939	0.8
67.01837	0.2
67.05475	0.5
68.99780	0.9
69.03403	0.3
69.07041	0.3
71.04952	0.2
71.13141	0.2
76.04021	0.1
79.05457	0.6
81.03400	0.4
81.07024	0.6
83.04947	0.3
83.79609	0.1
85.02889	0.2
85.06514	0.2
86.09672	0.2
88.23684	0.1
91.05429	0.6
91.05930	0.1
91.19203	0.1
92.02618	3.3
93.02824	0.2
93.03394	2.9
93.07025	0.7
94.04157	0.3
95.04932	0.5
95.08587	0.7
97.06484	0.2
105.07031	0.9
107.04945	0.2
107.08563	0.6
109.02862	0.4
109.10130	0.3
111.00769	0.5
111.04413	0.2
115.05429	0.2
117.07027	0.3
119.08601	0.9
121.02869	2.1
121.06483	0.2
121.10111	0.5
122.03593	0.5
123.04402	0.3
123.08031	0.2
124.01567	0.2
126.03116	1.3
128.06160	0.2
131.04903	0.3
131.08546	0.5
133.02814	0.2
133.10092	0.6
135.04349	0.3
135.08014	0.5
135.11649	0.1
137.02325	0.7
137.05000	0.2
137.05974	3.5
137.09552	0.1
139.03888	1.9
142.07738	0.3
143.08531	0.4
143.65199	0.2
145.06490	0.3
145.10095	0.3
147.04376	0.2
147.08089	0.3
147.11600	0.2
149.02312	0.2
149.05896	0.2
149.09624	0.2
150.03152	0.2
151.03899	1.9
153.01819	17.8
155.04942	0.3
157.10126	0.5
159.07933	0.2
159.11661	0.2
161.05951	0.3
161.09610	0.3
163.03893	0.5
165.01828	1.1
166.02605	0.4
167.08569	0.3
169.10132	0.1
170.02087	0.3
172.05269	0.1
173.02434	0.1
173.05946	0.6
176.04539	0.2
177.01900	0.2
177.05438	0.6
179.03386	0.3
183.02927	0.3
183.04401	0.5
185.09528	0.3
185.13254	0.1
187.03870	0.3
189.05458	0.4
190.06207	0.2
192.04070	0.2
195.08067	0.4
200.04663	1.0
201.05472	1.4
203.03389	1.6
204.04245	0.3
205.04997	0.2
213.09131	0.4
217.04936	2.9
218.05663	1.1
219.02872	0.5
228.04147	3.9
229.04942	7.5
231.02859	1.2
233.04419	0.2
234.98991	0.4
239.03296	0.3
243.06529	0.3
245.04453	4.0
246.05211	4.0
256.03726	0.7
257.04446	4.8
260.03110	0.8
261.07584	0.5
271.05954	0.6
273.03882	3.6
274.04694	7.1
281.18890	0.2
284.03104	1.2
285.03918	7.7
286.04373	0.3
287.01837	0.2
288.06332	0.2
299.19830	0.3
301.03442	0.5
302.04193	22.0
303.04523	0.4
317.06537	100.0
318.06870	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0631
Annotation	Rhamnetin
Peak:m/z	Relative Intensity
58.81662	2.1
68.56570	2.5
70.20585	10.7
84.08134	3.1
102.07745	2.3
129.10262	2.5
146.78520	2.4
148.53392	2.3
253.02084	3.6
265.17661	2.4
266.90775	2.6
317.06296	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63486	3.7
56.05029	4.5
56.22153	3.8
56.96553	9.4
59.32073	3.9
70.18810	19.9
72.08143	6.5
82.06596	6.8
84.04504	4.4
84.08139	84.3
86.09683	14.2
91.42534	3.6
95.82257	4.2
98.97578	17.1
101.10799	4.4
116.98599	10.2
128.00307	4.2
128.98659	4.5
129.10216	42.3
156.72346	3.9
175.54626	3.9
182.12932	5.3
186.12474	6.4
197.01228	5.6
215.02235	11.4
225.75943	4.0
229.63812	3.8
237.02924	8.6
312.50266	4.0
317.06290	100.0
317.21835	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	317.0654
Annotation	Tamarixetin
Peak:m/z	Relative Intensity
51.30456	0.2
51.79233	0.3
53.03938	0.4
55.01857	0.5
55.05489	0.7
55.57873	0.2
56.96563	5.8
57.07073	0.3
65.03926	0.4
65.58694	0.2
67.05485	1.3
69.03408	0.9
69.07043	0.9
70.99430	0.7
71.04973	0.3
71.95242	0.3
74.43198	0.2
74.97612	0.4
75.11551	0.2
79.05472	0.8
81.03400	0.9
81.07040	1.7
85.02895	0.3
86.09690	0.3
91.05454	1.1
93.03383	0.5
93.07021	1.0
95.04960	1.9
95.08601	1.2
97.06540	0.4
98.09676	0.4
98.97572	0.2
99.04452	0.3
105.07016	1.0
107.04921	1.1
107.08578	1.4
109.02882	0.6
109.06496	0.6
109.10133	1.1
110.03640	0.3
111.04416	0.5
116.98576	0.3
119.04960	0.3
119.08559	1.2
121.02882	1.4
121.06448	0.5
121.10137	0.7
122.03653	0.4
123.00767	0.4
123.04417	5.5
124.01566	1.5
125.02320	1.2
129.07001	0.3
131.08530	0.6
133.10094	0.9
134.03642	0.6
134.99745	0.3
135.04408	0.4
135.08070	0.4
135.11649	0.4
137.02342	4.8
137.03377	0.3
137.05962	6.1
140.14320	4.4
141.05467	0.3
143.08582	0.2
144.03264	0.5
144.05714	0.3
145.02805	0.5
145.06465	0.5
145.10124	0.9
147.08069	0.3
147.11629	0.5
149.02303	0.6
149.09602	0.4
150.03090	0.4
151.03874	1.8
151.07475	0.3
153.06932	0.3
155.04858	0.8
157.10103	0.3
159.08055	0.6
159.11658	0.6
161.09587	0.6
161.13240	0.3
163.03934	1.3
167.03380	7.2
168.05519	0.2
169.06435	0.4
172.05229	0.3
175.11137	0.3
176.82336	0.2
179.03404	2.4
180.04224	0.4
183.04486	0.4
184.05209	0.5
186.07973	0.3
187.03967	0.3
187.07553	0.7
193.04967	0.3
197.04469	1.1
200.04691	0.9
202.11134	0.6
209.04419	0.6
214.11150	0.5
215.07008	3.4
219.03030	0.3
228.04138	1.9
229.04793	0.3
230.08945	0.3
233.08000	0.5
242.05832	0.3
243.06477	6.8
243.11336	0.3
248.09903	1.0
256.03680	0.8
257.04449	1.0
261.07541	1.0
266.11014	1.0
271.05988	2.8
272.31195	0.3
273.04016	1.3
274.04709	6.7
285.12582	0.3
288.06296	1.2
294.04889	0.7
299.05432	1.2
299.20059	0.5
302.04187	4.5
312.05930	3.6
317.06525	100.0
317.20963	2.4
318.06995	1.6
330.06909	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44867	0.4
55.01874	0.4
55.05517	0.5
56.05033	1.1
56.96572	0.9
57.07074	0.7
60.04523	4.5
67.05515	0.9
68.05025	0.5
69.03421	2.9
69.07065	12.0
70.06590	29.6
71.58930	0.4
72.08157	2.5
74.06090	0.4
79.05492	0.7
81.03427	2.4
81.07088	0.6
82.06580	0.4
83.04989	0.5
83.06088	0.7
84.04498	2.4
84.08142	5.7
85.02889	1.2
85.08480	1.5
86.09701	100.0
87.05579	1.5
87.10040	1.3
91.05475	0.8
95.04980	0.5
97.02910	1.0
99.04453	0.5
109.02879	0.5
109.10161	0.7
110.07147	0.6
111.04480	0.5
115.07590	2.8
116.07086	22.4
116.98658	0.5
124.07610	0.5
127.03919	0.5
128.10712	1.5
129.10255	1.3
130.06509	1.0
132.08115	0.8
132.10147	0.7
135.04382	0.6
135.08083	0.4
136.07571	1.0
138.09146	0.8
146.04500	0.6
146.06032	0.8
153.01779	0.4
154.08601	0.5
155.06819	1.4
157.09717	2.6
159.09200	0.5
163.03926	1.9
164.04300	0.7
166.08655	1.4
173.12856	11.4
185.04240	1.2
185.09193	2.7
188.07050	0.9
199.18051	26.9
200.18446	0.6
201.12408	2.1
203.05312	0.6
203.13936	3.9
210.73256	0.4
227.17526	8.1
229.15582	1.9
270.11508	0.5
299.11035	0.6
302.04343	0.7
316.15305	0.5
316.18695	1.6
317.06506	3.9
317.12042	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	316.2844
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03951	0.7
55.01863	0.7
55.05510	4.2
56.05030	4.3
57.03434	0.9
57.07069	2.0
60.04523	100.0
61.04850	0.6
67.05502	8.6
69.07072	4.7
70.06602	1.0
70.11365	1.3
70.11784	1.3
71.08633	0.8
72.04521	2.2
74.06079	2.0
79.05477	3.8
80.05006	0.9
81.07051	7.8
82.06573	1.2
83.08607	3.3
86.06075	0.8
86.72707	0.6
87.04493	0.7
88.03975	0.6
88.80173	0.4
90.05563	1.8
91.05460	2.4
93.07031	3.8
94.06546	0.8
95.04983	0.8
95.08597	7.5
95.09161	0.8
96.08113	0.7
97.06541	0.8
97.10175	1.8
102.12266	0.5
105.07037	1.2
107.08607	1.9
109.10171	1.9
116.07111	0.7
119.08597	1.0
121.10140	1.5
123.11719	0.7
133.10143	1.0
135.11691	0.8
137.13214	0.6
138.45920	0.5
160.85716	0.5
198.53117	0.5
250.25284	1.2
262.25458	0.9
268.26263	0.5
273.70557	0.5
280.26376	10.7
298.27393	11.9
310.23334	0.5
316.28442	32.9
317.28760	1.6
339.44897	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01862	0.7
55.05502	5.7
56.05030	4.1
56.86554	0.4
56.96567	1.6
57.03440	1.1
57.07072	2.3
58.26221	0.5
60.04521	100.0
61.04842	0.7
65.03888	0.6
67.05499	10.5
68.05015	0.8
69.07068	6.2
70.06586	1.4
70.65838	1.6
71.08627	1.4
72.04519	1.6
74.06079	2.3
79.05485	4.0
80.05024	0.9
81.07053	10.6
82.06583	1.4
83.04959	0.7
83.08599	3.8
84.08138	0.7
85.10183	0.8
87.04482	1.4
88.07629	1.2
90.05576	1.1
91.05479	2.6
93.07033	3.5
94.06573	0.9
95.04965	0.8
95.08600	7.3
97.06551	0.9
97.10163	1.5
98.97579	1.3
102.05570	0.6
105.07026	2.2
106.08659	0.7
107.08606	2.6
109.10159	4.2
111.11700	0.7
112.07597	0.8
116.07116	0.5
116.98603	1.2
119.08579	1.0
121.10153	2.0
123.11684	1.1
127.07700	0.4
133.10144	0.9
134.99672	1.2
135.11685	1.4
146.26556	0.5
149.13226	0.7
154.94159	0.8
163.02834	1.5
164.03201	0.8
171.36601	0.5
172.95250	2.3
182.03975	0.5
182.31709	0.5
190.96288	1.0
206.19670	0.5
228.97752	0.7
233.22554	0.5
250.25310	1.8
262.25363	1.6
280.26343	10.8
288.91943	0.5
298.27408	10.5
299.27789	0.8
316.28461	30.7
316.31778	1.3
317.28763	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
55.05509	0.7
56.05025	0.7
56.96567	1.1
59.95465	0.4
60.04531	0.4
65.31341	0.3
68.05039	0.9
69.03408	0.7
69.07056	1.1
70.02964	0.5
70.06588	100.0
71.06924	0.5
71.59048	0.7
72.04516	1.4
72.08152	2.4
74.02441	2.1
80.05002	0.4
81.03408	1.2
82.02939	0.5
82.06565	1.0
83.04946	0.5
84.04502	2.3
84.08144	3.4
85.02914	0.9
86.09700	16.8
87.05570	0.4
87.10015	0.4
88.04008	0.8
91.60152	0.4
94.06606	0.4
95.06091	0.4
96.04505	1.4
97.02894	0.6
98.06036	3.2
99.05604	0.9
100.04008	0.8
107.70353	0.4
108.04459	0.4
110.06053	0.5
111.05540	0.5
111.76669	0.4
114.05526	1.3
114.09171	0.9
116.07098	1.0
118.05026	0.8
127.03235	0.6
129.10239	1.3
130.05003	1.1
133.06039	0.8
136.06229	0.8
136.07465	0.5
137.05919	0.4
140.63364	0.4
145.06078	0.9
146.04463	1.8
147.07597	0.7
153.06604	0.5
154.05019	0.6
154.08617	1.9
157.13373	1.1
161.07068	0.5
163.03926	1.1
168.02676	0.4
171.07646	1.2
172.06065	0.8
172.95253	1.1
183.14925	35.1
184.15341	0.5
201.12376	0.9
211.14406	15.4
213.10487	0.4
214.96344	0.5
219.13371	3.0
272.18063	0.4
298.12726	0.4
298.17651	0.9
316.14120	2.2
316.18542	4.1
317.06378	0.8
317.12119	1.1
318.21777	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73945	0.6
55.01857	0.9
55.05507	4.1
56.05022	1.0
56.96553	1.7
57.07073	1.3
60.04521	13.6
69.03422	0.7
69.07055	2.0
70.02972	0.8
70.06590	49.6
70.66891	2.4
72.04528	1.2
72.08153	34.8
77.59384	0.7
80.56202	0.7
81.03416	1.4
81.07043	1.7
83.04888	0.6
84.04494	4.9
84.08138	9.0
85.02892	1.0
85.06525	2.0
85.08464	2.0
86.09703	52.7
87.05582	7.5
87.10044	1.2
88.04017	0.8
91.81020	0.7
93.07024	0.8
97.02869	0.7
98.97565	1.1
99.04451	2.8
102.05524	0.9
102.09185	1.4
107.04928	0.7
108.78715	0.7
109.10152	1.3
110.07165	1.1
115.03942	2.0
116.07086	100.0
116.98616	1.4
117.07379	0.7
118.08630	1.0
124.07584	2.1
128.10736	5.3
129.10213	2.0
130.06522	1.5
146.05989	1.8
152.10661	0.8
153.01817	1.4
155.06824	2.3
159.06552	2.4
166.08649	0.9
170.06277	0.7
171.14922	9.6
173.12851	47.8
176.09157	1.9
185.04178	1.4
185.09247	0.8
187.14413	0.8
188.07063	1.9
188.12794	1.1
199.14409	4.3
199.18030	1.9
201.12318	8.6
216.12291	7.6
217.15457	1.6
220.26794	0.7
227.17523	1.0
237.02820	1.4
245.10559	2.8
291.69214	0.7
302.04190	1.1
316.09036	0.9
316.14243	1.1
316.21225	10.0
317.06351	4.1
317.12051	14.4
317.15494	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2225
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
51.10756	0.8
55.05513	6.8
56.05035	2.5
56.96547	1.3
57.05804	1.1
60.04519	8.5
61.02913	1.5
61.60962	0.8
67.05507	1.2
68.05021	1.0
69.03428	2.7
69.07063	5.2
70.06589	29.7
71.58904	1.3
72.04506	2.0
72.08153	100.0
73.08484	1.3
79.05516	0.9
81.03412	2.9
81.07047	3.2
83.06094	1.3
84.04504	4.0
84.08142	12.0
85.02892	2.9
85.06516	1.4
85.08478	4.2
86.06064	1.2
86.09702	98.7
87.05597	6.1
87.10036	1.4
88.03989	1.6
91.05486	1.9
93.07061	0.9
95.05010	1.5
96.08134	2.0
97.02882	1.9
99.04472	3.2
108.08100	6.0
109.06540	1.1
110.07159	1.7
115.03919	1.6
115.43756	0.9
116.07088	63.6
116.98642	2.2
118.06565	1.6
118.08664	1.7
121.06485	1.2
124.07617	7.7
125.07085	1.1
128.10715	3.1
129.10220	1.7
130.06529	3.8
131.99596	1.1
132.08070	1.2
134.99646	0.9
136.07565	3.5
137.05988	1.2
137.08273	1.0
138.09154	1.4
146.06010	2.5
146.99658	1.4
153.01772	1.1
154.08630	29.5
155.09021	1.1
158.99666	1.1
159.06554	2.3
159.09178	1.2
166.08647	1.9
170.06232	2.2
171.14912	32.7
173.11310	1.4
173.12857	30.5
176.09163	1.4
177.71010	0.9
185.04204	1.0
188.06979	4.5
195.06636	1.3
199.14404	14.6
199.18036	20.3
201.12328	6.9
203.13910	6.4
205.09750	0.9
216.12357	5.5
217.15474	5.5
227.17543	6.8
237.02823	2.2
245.10457	1.3
263.81955	1.0
270.12466	1.0
274.05069	0.9
281.09125	1.0
302.04330	1.9
316.14001	2.8
316.21317	8.2
317.06393	5.6
317.11938	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	315.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35323	0.8
52.56216	0.8
53.03933	1.4
54.03464	2.7
55.01869	1.7
55.05501	3.2
56.05033	0.9
56.96561	1.7
57.03425	1.2
57.45100	0.7
65.03930	1.5
67.05501	11.9
69.03425	2.0
69.07064	6.1
69.62988	5.9
70.06586	2.4
71.04990	1.4
71.06104	1.5
72.04510	13.2
72.08150	1.5
72.70584	0.8
73.02916	1.3
74.02442	37.9
77.03930	1.0
78.40076	0.8
79.05490	6.1
81.03413	2.4
81.07062	6.7
82.02938	10.3
83.01344	1.6
83.04981	1.8
83.08607	1.0
84.04494	2.7
84.08141	26.5
85.02894	1.6
86.09705	10.6
87.04508	0.8
88.11275	1.3
91.05476	9.4
93.07043	39.5
94.07365	1.5
95.04948	2.6
95.08606	92.3
96.08945	1.2
97.06515	2.6
99.05579	51.2
99.09227	1.0
100.03982	18.4
103.05499	0.9
104.03471	1.0
105.07029	3.3
107.04947	7.6
107.08594	41.2
108.05285	3.4
109.02870	1.5
109.06503	1.6
109.07658	1.3
109.10158	3.3
110.06042	0.9
110.07150	1.6
110.07903	0.9
111.04449	0.8
117.06611	7.5
118.05015	26.5
119.08566	1.8
120.08096	3.3
121.06477	1.4
121.10178	1.3
122.05994	0.9
128.03452	1.8
133.10150	1.5
135.11690	26.5
137.06020	1.1
145.06079	21.8
145.10153	0.8
146.04485	100.0
147.04788	1.6
148.07547	2.7
151.03999	1.1
151.07552	1.0
152.14334	2.8
153.06989	1.7
153.12750	5.2
155.08537	1.3
157.13400	4.2
158.04492	1.2
159.07956	0.9
161.05937	1.1
163.07141	95.3
165.06972	1.3
166.08730	0.9
167.07162	1.0
170.15395	1.0
175.03967	1.2
183.08017	2.4
196.59825	0.9
200.11040	2.0
208.05267	1.8
211.07524	2.1
216.12308	1.2
227.11940	2.1
228.10622	2.3
229.08618	1.5
255.06567	1.1
255.11269	3.8
263.07349	1.1
269.08258	1.0
284.13586	3.2
297.11856	1.7
297.18143	2.4
300.06262	2.0
315.04996	1.5
315.08624	8.8
315.13132	5.1
315.18542	13.3
322.33200	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2529
Annotation	9,10-DHOME
Peak:m/z	Relative Intensity
53.03943	3.1
55.01860	8.9
55.05509	52.1
56.96558	2.0
57.03434	19.2
57.07066	34.4
60.04513	7.6
62.99346	1.7
65.03943	2.5
66.05334	1.8
67.05502	70.6
69.07063	77.6
69.71540	9.6
71.04993	3.6
71.08633	16.4
73.06574	2.3
75.04449	4.4
79.05485	43.8
81.07055	71.2
83.04968	5.0
83.08614	53.7
85.06557	3.0
85.10171	9.3
91.05471	6.9
93.07037	56.1
95.04967	2.0
95.08601	46.1
97.06529	37.3
97.10161	29.2
98.97584	3.1
99.08143	3.1
101.09626	2.7
103.03947	7.1
105.06992	2.1
107.08589	45.7
109.10144	40.1
111.08077	12.0
111.11726	4.3
113.09672	2.4
116.98599	5.8
121.10134	100.0
123.11700	32.2
125.09626	6.8
125.13242	2.8
127.11221	4.0
129.05519	11.6
134.99644	4.1
135.11684	69.0
137.13228	4.8
139.11191	7.8
143.10573	2.8
149.13260	28.3
153.12715	4.2
157.12308	2.1
163.14807	7.7
167.14256	4.1
181.15970	2.8
187.11099	3.3
205.19510	94.6
223.20544	60.2
241.21677	12.9
241.23822	2.6
249.60118	2.0
297.24283	36.0
315.08163	8.5
315.15747	3.0
315.34558	4.1
316.32074	5.6
337.08936	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1223
Annotation	3'-Deoxysappanone B
Peak:m/z	Relative Intensity
53.03931	0.4
59.30965	0.2
60.04522	1.0
67.05495	0.3
69.07038	0.2
71.59929	0.3
75.70373	0.2
78.04692	0.8
79.05486	0.2
91.05476	1.9
95.04970	1.0
95.08620	0.2
101.78661	0.2
105.04533	0.3
105.07031	0.2
106.04140	0.4
119.08548	0.2
121.06496	100.0
122.06823	1.5
138.02113	0.2
217.82822	0.2
315.08560	0.4
315.12164	2.6
315.23083	0.3
333.55655	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.0
55.05497	1.6
56.96561	2.1
65.03937	1.9
66.53085	1.0
67.05489	3.2
69.03419	1.8
69.07053	2.4
69.92889	0.9
70.99932	2.3
71.04981	1.0
72.12437	0.8
79.05486	2.0
81.03403	1.9
81.07030	2.4
85.02905	0.9
91.05471	3.5
92.04996	2.0
93.07040	2.8
94.06504	0.8
95.01321	1.1
95.04987	2.1
95.08591	2.3
97.06540	1.0
97.10125	1.1
98.97591	1.7
105.03385	1.0
105.06982	2.2
107.08588	1.9
109.02838	1.1
109.27708	1.1
116.98614	2.3
117.03326	0.9
117.07027	1.3
118.06525	1.3
119.08537	1.8
120.04427	4.9
121.02831	0.8
121.06499	65.2
121.10105	1.0
128.06279	1.1
129.06979	1.4
130.85400	0.9
131.08565	0.9
133.06482	1.1
134.03645	5.7
134.99658	2.0
135.04436	1.3
135.11606	0.9
136.07541	2.6
137.02325	1.8
137.06001	1.2
138.03133	3.6
141.07027	1.5
143.08551	1.7
144.08099	1.8
145.10164	0.8
148.03900	3.0
151.07530	1.0
152.06190	2.1
154.06569	1.2
154.07748	1.8
155.03435	1.0
155.08505	1.0
156.07993	1.0
157.10144	1.7
159.09277	1.1
160.92076	1.0
161.02319	1.3
161.05959	4.3
161.07132	0.9
161.09651	1.2
162.05551	1.3
162.08005	1.1
163.03929	3.2
165.06992	3.6
166.02666	1.5
167.03392	19.4
167.07297	2.5
167.08600	2.7
168.08055	2.1
169.08864	1.8
169.10179	1.0
170.08357	2.1
170.09636	1.2
172.07565	1.1
173.08342	1.8
173.09656	1.3
177.06920	1.4
180.08063	1.0
181.06351	1.0
182.09583	4.6
183.06735	1.4
183.09212	2.2
184.03709	5.9
184.05104	1.5
184.09930	4.0
184.11250	2.5
187.08661	2.4
189.10249	1.8
191.07034	0.9
194.09648	1.8
195.08078	3.5
196.07642	1.4
197.07053	2.1
197.08553	2.1
198.07814	3.5
198.09349	2.0
199.12320	6.2
200.10817	1.6
200.13062	0.9
209.10754	1.2
210.09151	11.9
211.08743	5.0
212.09138	10.3
212.10968	3.3
213.06552	0.9
213.10077	5.3
223.07597	2.9
225.06624	2.5
226.07144	4.4
226.11011	2.0
227.06865	2.2
227.11775	27.6
229.05025	1.0
237.10214	2.6
238.08609	3.6
239.08060	3.4
240.04295	4.1
240.08929	12.8
241.09715	26.7
243.06462	4.2
244.07320	1.2
251.07019	1.1
253.09669	1.0
254.05760	1.2
255.06552	11.1
255.11273	100.0
256.11545	2.2
257.04361	3.1
259.09677	3.2
268.03635	2.6
269.08109	1.5
271.05881	5.7
272.06854	2.2
283.05936	7.9
283.10767	71.4
284.10910	2.0
285.03833	1.0
299.05521	12.1
300.06265	22.3
300.09705	1.3
301.06631	1.5
315.08600	92.3
315.12552	8.5
315.19363	2.1
315.26868	1.1
316.08932	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	315.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.7
53.63970	4.8
55.01862	11.2
55.05499	19.7
57.03419	16.3
59.61203	4.8
60.72009	5.1
61.02909	11.1
67.05513	29.8
67.05812	6.0
69.03425	33.7
69.07055	20.2
70.56875	21.2
71.01360	6.0
71.04987	11.2
73.02898	14.2
79.05484	23.8
81.03414	38.8
81.07064	45.4
83.04953	13.9
83.08610	8.5
84.08137	15.4
85.02892	95.1
85.06535	7.1
86.09674	12.3
91.05480	32.2
93.07041	92.6
95.04953	17.8
95.08624	36.7
95.66846	5.2
97.02875	21.6
97.06515	15.2
99.04439	11.7
103.03938	10.8
105.07033	62.7
107.04936	14.7
107.08585	100.0
109.02860	11.5
109.06494	23.9
109.10146	25.0
111.04447	13.1
111.08080	7.8
115.03987	5.9
117.07014	11.5
119.08583	46.6
121.06525	9.4
121.10152	17.2
121.31146	5.4
123.04444	10.1
123.08050	12.9
127.03908	17.2
129.05449	6.2
129.06985	6.4
131.08577	16.3
133.10117	18.4
135.11681	84.5
136.07617	7.7
137.09648	6.5
143.08560	17.8
145.04958	10.2
145.10083	21.1
147.08046	13.0
147.11694	26.0
149.09599	9.1
151.11156	11.9
153.12721	22.2
155.08398	8.5
157.10109	13.4
159.11710	17.5
161.05931	5.4
161.09642	6.0
163.11168	10.8
165.12784	40.7
167.07008	6.3
167.89825	5.9
169.10194	5.7
171.11739	6.8
173.09602	6.3
173.13283	6.5
175.11172	6.0
177.12700	17.9
183.11617	10.5
189.12660	7.4
193.12259	11.9
195.02879	7.8
195.13809	6.3
201.12727	8.7
208.04977	7.7
215.14204	6.3
219.13777	16.0
231.13872	15.5
240.08896	19.3
243.13795	8.7
249.14955	9.2
261.14822	23.5
272.18375	13.5
279.15814	19.5
283.09836	8.2
297.12057	6.3
297.17014	15.4
315.04947	22.9
315.08609	15.7
315.13196	5.5
315.17636	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0858
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
62.32611	0.3
67.01837	0.5
69.03401	0.6
70.81024	0.8
76.68344	0.3
81.03406	0.3
89.03906	0.4
91.05458	0.3
95.01323	1.0
95.04989	0.3
105.03381	0.3
107.04918	0.5
108.02086	0.7
109.02887	0.5
111.04428	0.6
121.02821	0.3
121.10941	0.3
125.02316	0.5
129.03368	0.5
134.03624	6.2
135.04398	1.2
137.02324	1.2
137.05916	0.6
138.03111	4.6
149.02371	0.4
149.05975	0.6
155.03386	0.9
161.02307	0.6
161.06041	0.4
162.54869	0.3
163.03885	3.2
166.02583	2.4
167.03395	19.2
168.05638	0.6
171.08017	0.5
175.03926	0.9
184.03654	4.1
184.05200	1.2
193.04921	0.6
195.08012	0.3
197.05933	0.7
198.06642	0.6
199.07556	1.3
201.05493	0.4
211.03883	0.4
211.07587	0.6
212.04633	1.5
213.05421	0.3
215.06989	0.7
216.07736	0.3
217.05110	0.4
223.07375	0.3
226.06281	0.7
227.07030	3.6
229.04996	1.6
240.04163	5.0
241.04965	0.4
241.08546	0.3
242.05612	0.3
243.06499	4.9
244.07297	1.0
254.05655	0.8
255.06512	11.5
255.10652	0.6
257.04465	3.0
259.09665	3.9
268.03613	2.2
270.05313	0.7
271.05975	7.4
272.06799	2.7
282.05164	0.5
283.06027	9.4
283.09619	1.4
284.03140	0.6
284.10712	0.3
285.03998	1.1
287.09146	0.5
299.05484	15.2
300.06259	20.0
301.06604	0.4
315.08597	100.0
316.08981	0.8
332.08041	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73588	0.7
55.05302	0.6
55.05514	7.7
57.03439	21.8
57.07076	65.2
58.76085	0.6
60.03314	0.6
65.03922	0.7
67.05180	0.8
67.05506	11.6
69.06718	0.9
69.07068	13.0
70.73131	1.7
71.04993	0.8
71.08631	40.0
72.08936	0.8
79.05482	1.4
81.07056	15.6
83.08624	11.8
85.06505	0.8
85.10183	20.6
89.06025	3.1
93.07024	0.8
95.08604	22.2
97.10172	6.4
99.11707	1.6
103.07576	2.6
109.10164	10.4
111.11711	1.3
113.13245	0.8
117.09116	1.1
123.11697	5.2
125.13290	1.0
137.13222	1.9
138.99837	0.8
144.88820	0.6
151.14821	1.1
161.49977	0.6
166.55119	0.8
167.28780	0.8
209.70813	0.8
209.97057	0.6
212.94504	0.6
221.22668	1.1
239.23708	4.6
257.24701	7.0
313.27359	100.0
314.27640	3.0
335.97049	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.9631
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39311	0.4
56.96559	17.6
56.96841	0.9
58.32124	0.4
66.59406	0.4
68.88934	0.4
69.94444	2.6
71.95269	3.1
98.97575	100.0
105.88584	0.6
116.98609	86.7
134.36295	0.5
134.99648	46.5
140.00185	7.2
153.00708	6.3
158.01251	4.1
176.02386	0.6
206.92763	0.6
213.92406	0.5
248.93706	3.9
266.94785	1.7
272.93622	10.2
272.96341	0.6
290.94708	91.4
291.95135	0.6
308.95782	29.4
313.96317	8.6
331.97400	2.2
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
53.03930	0.6
55.01842	0.8
55.05499	0.7
56.96556	1.8
60.24447	0.5
67.05492	1.3
68.99776	1.0
69.03443	1.0
69.06713	0.6
69.07048	2.5
71.39761	0.8
79.05475	1.8
81.03416	0.9
81.07070	3.3
83.04971	0.6
83.08613	0.6
84.46583	0.6
85.02889	0.8
91.05473	1.8
93.07037	1.3
95.01320	0.9
95.08610	1.5
97.02836	0.6
98.97584	2.0
105.06998	2.1
106.04186	0.6
107.04941	1.1
107.08585	1.5
109.02891	0.9
109.06491	0.8
109.10155	0.7
111.04386	0.7
116.98623	1.6
117.07045	0.7
119.08583	1.2
120.04459	0.7
121.02904	0.7
121.06533	4.9
121.10143	0.8
125.02325	0.7
127.03970	0.8
128.06096	0.7
129.03369	0.7
131.04929	1.1
131.08592	0.8
134.03668	6.2
134.99672	1.6
135.04398	2.0
137.02312	1.2
137.05988	1.7
138.03119	4.2
141.06966	1.0
143.08606	0.7
145.06499	1.4
145.10103	1.4
146.72588	0.6
151.03937	0.8
152.06184	1.4
153.01781	0.7
154.02605	0.8
155.03430	1.0
157.09956	0.8
161.05995	3.5
163.03908	3.3
165.07030	1.1
166.02605	0.8
166.07784	0.6
167.03407	17.0
167.07138	0.7
167.08525	1.5
171.08015	0.7
173.13263	0.8
175.03932	1.0
177.00739	1.0
177.05539	0.7
178.28389	0.5
184.03650	4.6
184.11137	0.8
193.05017	0.9
194.07246	0.9
195.07973	1.6
197.05846	0.6
199.07506	1.3
199.12303	0.6
201.12910	0.6
208.05202	1.0
210.09210	1.4
211.08655	0.7
212.04697	1.6
212.09322	1.5
217.05130	0.7
222.06726	0.8
223.07599	2.9
225.05649	0.8
227.06979	3.7
227.11891	4.1
227.13826	0.9
229.04945	1.4
235.99997	0.7
238.08580	1.2
240.04158	3.2
240.09004	1.4
241.09778	1.7
242.05847	0.6
243.06528	5.6
244.07289	1.3
251.07130	1.3
254.05629	1.3
255.06595	9.3
255.11311	15.0
257.04465	2.4
259.09750	3.8
268.03784	1.4
269.04333	0.6
270.05264	0.9
271.06021	6.8
272.06735	2.0
277.73544	0.7
283.06006	9.0
283.10443	10.1
284.03259	1.0
284.10413	0.9
285.03995	1.6
297.18710	0.8
299.05490	14.5
300.06274	20.3
315.08615	100.0
315.19568	1.6
316.09021	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.4
51.08150	0.3
51.11179	0.3
53.00299	0.3
53.03946	5.0
55.01870	0.5
55.05508	2.6
56.05028	0.6
56.96556	0.9
57.03426	0.6
57.07048	0.3
57.54210	0.4
58.99582	0.4
65.00992	0.3
65.03947	0.6
67.05500	1.0
69.03434	1.7
69.07063	0.6
69.25756	2.1
69.26186	1.4
70.06608	1.8
71.04999	0.7
71.08627	4.7
72.08157	4.6
73.02914	1.0
78.98794	0.3
79.05488	0.9
81.03416	100.0
81.07053	1.6
82.02941	1.0
82.03741	1.3
82.06577	0.6
83.01344	0.7
83.04982	0.8
83.08614	0.7
84.04521	2.4
84.08145	3.1
85.02907	1.1
86.00625	0.6
86.06109	0.3
86.09695	2.5
88.11267	23.7
91.05490	1.9
93.07056	1.0
95.04977	0.6
95.08600	0.5
96.04488	1.5
96.08127	0.7
97.06514	0.7
98.06060	0.7
98.20682	0.6
98.97573	0.4
99.04436	0.3
100.03983	1.0
101.02381	0.4
102.05532	1.4
105.07014	0.9
106.06628	0.3
107.04956	0.7
107.08588	0.4
108.08131	0.4
109.02888	1.1
109.06550	0.4
110.06034	0.5
110.07178	0.8
111.04439	1.1
113.08849	0.4
114.05547	0.9
116.98641	0.5
118.06558	1.0
119.04941	0.5
120.08107	1.5
121.06515	0.4
123.04412	0.6
124.07627	0.6
124.11227	0.5
129.10257	1.4
130.05006	0.7
134.06024	0.8
134.99652	0.4
135.06833	0.5
136.07570	2.1
137.05977	0.4
137.07956	0.3
138.09158	0.4
142.04985	0.6
143.00180	0.4
145.09006	0.3
146.04495	6.6
146.05994	1.0
151.03918	6.0
151.05038	0.5
152.04274	0.4
152.07083	1.2
152.10695	2.3
156.08424	0.9
158.04541	0.6
161.01205	0.7
162.05479	2.0
163.03912	0.7
164.07126	0.4
168.13873	0.5
169.13298	1.6
170.11765	0.5
172.13321	1.5
177.05479	0.4
180.06647	0.5
198.07628	0.5
209.02609	0.5
210.07948	0.6
210.11292	2.0
215.04877	0.5
216.12318	13.7
223.07677	0.4
226.07121	1.5
249.02760	0.5
249.15945	4.0
251.07036	0.4
267.03809	0.4
267.17310	0.4
289.64474	0.4
294.15991	0.3
295.16504	1.8
296.15067	1.1
313.11792	0.7
313.17590	11.4
314.17865	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
54.03462	2.5
55.01872	3.7
55.05511	9.7
56.96562	5.7
57.03434	1.7
65.03934	1.5
67.05527	9.5
69.03430	5.3
69.07058	2.0
69.55632	5.8
69.56050	4.3
70.06586	6.1
71.05010	1.7
71.06103	1.6
71.08630	2.3
72.04514	9.6
72.08152	3.9
73.02911	1.8
74.02437	39.2
74.16054	1.2
79.05491	18.1
81.03413	19.4
81.07053	37.6
82.02932	8.9
82.06592	1.3
83.01334	1.7
83.04985	2.3
83.08582	1.3
84.04514	3.1
84.08136	3.2
85.02911	6.1
86.09714	6.0
87.04446	1.6
88.04001	3.1
88.11279	1.5
91.04961	2.6
91.05482	34.6
93.07038	66.4
94.06533	1.7
94.07396	1.3
95.04972	5.8
95.08576	6.2
97.02882	3.5
97.06541	1.8
98.72491	1.3
98.97591	1.9
99.05577	50.2
100.03963	15.5
101.02399	1.4
102.05515	2.9
103.05454	3.1
105.07026	77.1
106.07356	2.1
107.04956	5.0
107.08581	13.7
108.08150	1.3
109.02879	2.8
109.06512	5.7
109.08897	1.2
109.10137	3.0
110.07172	1.5
111.04440	1.7
116.98633	1.8
117.06663	5.4
118.05016	27.8
119.04919	1.8
120.08118	2.4
121.10143	51.9
122.06088	1.6
122.10485	2.2
123.04424	2.3
123.08061	5.8
123.11719	9.2
128.03442	1.4
129.06982	1.7
131.08580	3.9
133.06517	1.5
133.10132	33.4
134.99681	1.9
137.05969	3.6
138.12752	1.7
140.06970	1.3
143.00198	2.0
145.06067	27.1
146.04478	100.0
147.04488	1.7
149.05983	2.1
149.09637	1.5
150.12830	5.3
151.03908	19.8
151.05067	1.9
151.07674	1.6
151.11215	3.7
161.01256	3.9
162.05537	1.5
163.07137	97.2
165.06996	1.5
167.07210	1.3
168.13844	5.5
169.05055	1.9
172.13300	2.1
175.81825	1.5
177.05476	1.9
216.12227	1.5
235.07431	1.8
251.07065	1.5
253.08623	1.7
267.03903	1.9
274.21353	1.6
281.08051	2.3
285.04688	1.5
295.08350	2.6
295.16519	30.2
313.10812	4.1
313.14453	2.3
313.17670	16.9
313.21448	2.2
313.27112	2.2
314.13876	2.9
331.11752	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	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15405	0.6
52.41355	0.6
52.72116	0.6
55.05504	6.3
56.76669	0.6
57.03146	1.0
57.03431	19.2
57.07072	52.0
59.02538	0.5
59.05000	0.6
67.05164	1.0
67.05498	11.6
68.41100	0.6
69.07069	9.6
70.37837	2.8
71.04970	0.9
71.08626	34.2
79.05449	1.0
81.07049	14.9
83.08136	1.0
83.08614	10.7
85.09647	1.0
85.10173	20.9
85.59389	0.7
89.06013	2.5
93.07009	0.9
95.08601	20.7
97.10146	5.5
99.11711	1.0
103.07566	2.6
109.10145	10.5
111.11707	1.5
113.13186	0.6
123.11680	4.5
131.40997	0.8
137.13240	1.8
139.11180	0.7
141.10262	0.7
149.15782	0.6
165.16403	0.9
221.22633	0.7
239.23672	5.5
257.24710	7.4
290.94604	0.8
313.27335	100.0
314.27682	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15519	0.8
50.46100	0.8
53.74234	0.7
55.05511	7.9
57.03438	21.1
57.07075	62.5
58.07418	0.7
63.22148	1.0
67.05504	13.8
69.07066	10.2
69.46382	1.7
69.46790	5.6
70.50928	0.8
71.08630	42.5
81.07058	13.5
81.30105	0.8
83.04958	0.8
83.08618	12.3
85.10183	21.9
89.06027	4.4
93.07044	0.9
95.08604	22.0
97.10167	6.3
99.11739	1.5
103.07567	2.5
109.10179	9.4
111.11716	1.1
117.09128	1.0
123.11733	5.3
137.13205	2.1
239.23616	4.6
253.75858	0.9
257.24731	5.6
313.27356	100.0
314.27826	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70961	1.1
53.03942	3.4
54.03473	2.1
55.01871	1.7
55.05504	7.2
56.05033	1.4
56.96564	12.9
57.03416	1.5
57.07061	1.0
62.98534	1.2
65.03926	1.8
66.82971	1.1
67.05497	10.0
69.03428	2.9
69.07064	1.4
70.06587	6.3
70.70045	4.1
71.06114	2.1
72.04512	10.1
73.02911	2.7
74.02441	37.2
79.05495	15.2
81.03394	6.4
81.07056	35.7
82.02946	8.4
82.06594	2.4
83.01381	2.3
83.04980	2.6
83.06087	1.3
84.04498	3.0
84.08136	9.4
85.02917	5.3
86.09708	4.6
91.05474	31.6
93.07040	71.7
94.06548	2.0
95.04974	6.8
95.08593	4.5
97.02873	3.1
99.04591	2.1
99.05576	47.0
100.03970	19.8
103.05460	2.2
105.07027	75.9
107.04977	2.4
107.08595	12.9
108.08109	1.9
109.06510	4.9
109.08903	2.1
109.10167	3.7
110.07148	3.4
110.09704	1.2
111.04438	3.0
115.05434	1.3
116.98619	2.7
117.06587	7.3
118.05009	23.3
119.08611	1.7
121.02917	1.5
121.06526	1.4
121.10135	49.4
123.04474	1.6
123.08058	3.5
123.11698	12.6
124.99096	1.7
127.04010	1.0
128.03407	2.4
130.05084	1.2
131.08574	3.4
133.06567	1.2
133.10132	30.0
134.99600	1.2
136.06151	2.6
136.07635	1.7
137.02377	1.6
138.12758	7.4
139.03894	4.6
143.00142	15.6
145.06068	31.5
146.04477	100.0
147.04585	1.5
150.12755	9.8
151.03915	8.0
151.11226	2.9
159.03233	1.4
161.01207	26.9
162.99161	1.2
163.04198	2.0
163.07133	99.0
164.05728	1.4
164.07307	1.5
168.13815	9.9
170.99658	2.6
179.02274	4.4
185.01256	4.3
187.02750	1.5
189.00716	6.9
195.08107	1.1
196.13300	1.1
203.02290	2.6
203.05707	1.0
204.10202	2.2
210.05826	2.1
213.00813	1.9
223.07607	1.5
231.01778	1.9
249.02820	16.9
249.05234	2.1
249.12500	1.8
253.09694	2.0
267.03867	27.0
267.13318	1.6
268.16522	2.2
272.04453	6.3
285.04953	18.5
286.05490	1.2
290.05548	8.1
295.16663	7.3
299.09033	1.2
308.06610	2.7
313.08817	8.5
313.17563	25.4
314.14093	5.3
314.17322	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	313.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01872	3.4
55.05509	3.3
57.03427	2.5
67.05495	6.6
69.03425	2.8
70.06592	3.6
72.04511	6.9
73.02917	2.7
74.02441	27.7
78.92130	1.9
79.05489	12.3
81.03414	14.7
81.07049	37.9
82.02956	7.9
84.08142	4.0
85.02844	2.0
86.09693	2.5
91.05473	28.8
93.07034	67.4
95.04966	2.8
95.08601	5.8
99.05570	41.0
100.03996	15.4
103.05434	3.1
105.07024	72.9
107.08583	13.0
109.06538	3.7
112.04083	2.1
117.06621	4.8
118.05005	18.0
121.10130	43.5
123.08056	3.3
123.11707	13.4
131.08572	3.7
133.10120	33.0
136.07571	3.4
138.12770	8.4
145.06073	23.6
146.04475	94.5
150.12761	10.7
151.03893	7.1
151.11139	2.7
152.01643	20.9
163.07133	100.0
168.13818	11.3
172.13393	5.2
216.12257	11.3
229.34402	2.3
295.16537	7.1
296.14996	4.3
298.10794	3.2
313.17584	33.7
314.13901	7.6
314.17438	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
53.46347	1.0
54.03467	2.4
55.01863	1.5
55.05503	6.9
57.03451	1.1
57.07057	1.3
59.04995	1.1
64.69402	0.8
67.05502	5.9
69.61481	6.8
71.06113	1.3
72.04519	8.9
73.02917	1.3
73.48807	0.9
74.02438	39.3
79.05491	12.8
81.03417	5.6
81.07054	29.7
82.02933	8.6
83.01350	1.4
83.04980	1.6
85.02896	1.9
88.11250	1.7
91.04892	1.2
91.05474	27.5
93.07039	64.6
94.07393	1.3
95.04959	5.7
95.08605	2.6
95.14551	0.9
99.05571	51.2
100.03973	17.7
101.02402	1.6
103.05461	1.7
105.07027	76.0
107.08593	9.0
108.08161	1.6
109.06529	5.0
109.10173	1.7
115.05387	0.9
117.06580	7.5
118.05011	26.2
121.10133	43.3
123.08066	3.7
123.11697	8.4
128.03456	2.3
131.08565	3.8
133.10121	34.4
145.04912	1.3
145.06073	25.0
146.04477	98.3
150.12784	4.8
151.03912	4.0
151.11160	2.7
163.07129	100.0
164.05501	2.0
168.13878	6.0
216.12323	1.2
221.23260	0.8
223.07448	1.4
251.06944	1.5
277.15442	1.2
295.16495	31.0
313.17487	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	311.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.7
53.73451	0.7
55.01857	2.1
55.05510	55.1
57.03437	23.0
57.07075	24.9
67.05507	7.9
67.53030	0.8
69.07067	57.7
69.51504	5.7
70.07386	0.9
71.04999	1.0
71.08632	17.0
73.06580	0.8
79.05483	4.8
81.07055	10.9
83.04978	1.2
83.08617	49.4
84.08931	1.1
85.10175	6.5
91.05470	1.2
93.07050	6.5
95.08607	7.4
97.06532	4.7
97.10169	38.5
98.21507	1.5
107.08588	3.9
109.10152	2.4
111.08080	2.2
111.11727	11.7
121.10153	8.0
123.11684	1.5
125.09625	2.1
125.13265	2.8
135.11711	5.1
137.13226	1.0
137.49812	0.8
139.11185	1.5
149.13246	2.6
163.14803	1.3
167.14378	0.7
177.16187	0.9
219.21063	1.6
237.22079	1.2
311.25793	100.0
312.26114	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	313.1068
Annotation	7,2',4'-Trimethoxyisoflavone
Peak:m/z	Relative Intensity
52.10270	1.4
55.05500	1.9
55.14043	1.6
56.96552	2.8
57.37720	1.5
59.87778	1.5
60.14700	1.4
66.27711	1.8
67.05486	2.6
69.03430	1.6
69.07063	2.9
71.08614	1.4
71.59737	2.4
72.08121	1.5
79.05482	4.0
81.07040	4.7
91.05476	3.7
93.07027	3.2
95.04942	2.4
95.08611	3.7
97.06538	1.5
98.97575	4.8
103.05488	2.9
105.07022	10.0
107.04950	3.3
107.08578	2.6
108.97616	1.8
109.06516	2.8
115.05429	2.4
116.98612	4.5
119.08491	2.6
121.10136	2.0
133.06476	5.4
133.10120	2.4
134.99605	2.3
137.05972	12.1
146.03654	12.0
147.04306	1.7
151.07536	3.3
153.06979	5.5
154.07764	2.9
159.11760	2.2
161.01324	1.7
161.05966	47.9
162.06677	2.3
165.06979	41.7
166.07765	6.0
167.08524	2.2
176.93867	1.6
179.08627	3.3
181.06444	12.1
182.07236	22.0
183.08076	2.4
189.05426	16.5
192.05638	2.7
193.06461	18.7
194.07248	21.4
195.08064	3.6
197.05948	1.8
197.09581	7.6
199.07359	2.1
205.06465	3.6
207.08067	2.8
209.05959	6.6
210.06752	44.5
211.07317	4.3
221.05948	36.3
222.06714	24.9
223.07451	2.4
224.08310	6.0
225.09105	36.1
227.07036	2.7
235.07588	3.3
237.05365	7.7
238.06210	31.9
239.06981	3.4
249.14963	2.0
252.07811	3.0
253.08575	78.8
254.09209	6.3
255.06508	3.2
266.05667	1.8
269.08157	2.8
270.08847	4.0
281.08063	100.0
282.08487	5.8
284.10553	2.0
285.11212	20.4
295.09464	2.5
298.08279	2.0
313.10669	60.1
313.13864	2.8
313.25015	2.4
314.11008	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.73806	6.1
52.03005	6.2
53.03958	6.3
53.27956	6.6
55.01871	17.3
55.05510	23.3
56.96563	10.2
57.03405	6.7
61.01591	6.3
67.05502	37.6
69.07068	46.2
70.06562	9.9
70.75417	6.7
70.90669	14.8
72.15633	6.2
72.63890	6.5
79.05497	43.2
81.03378	6.4
81.07063	39.6
83.04996	16.5
83.08609	13.7
88.60835	5.8
91.05480	24.3
93.07040	44.4
93.12927	7.1
95.04962	75.6
95.08607	34.3
97.06500	8.2
97.10174	15.8
99.04452	9.3
105.07031	15.4
107.04969	18.9
107.08598	21.1
109.06493	11.6
109.10139	12.8
111.04440	27.8
117.07021	13.2
119.08595	14.9
121.02888	11.4
121.10131	20.0
123.11719	7.4
125.09665	11.6
131.08546	12.8
133.10130	9.0
135.08075	9.4
135.11639	12.2
137.05934	15.7
145.10150	17.0
157.10251	7.9
159.11681	9.3
167.14438	8.0
173.13222	8.5
177.12727	11.7
195.13795	8.2
234.99675	11.7
237.14821	61.3
251.10335	7.5
257.19101	12.6
275.19989	54.0
279.10037	9.5
293.21085	100.0
311.12701	20.1
311.22549	6.9
312.24997	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	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03931	1.1
54.85273	0.7
55.01855	2.3
55.05507	60.3
56.05825	0.9
57.03436	21.7
57.07072	27.4
58.88972	0.7
61.95383	0.8
64.79333	0.7
67.05494	9.5
69.07062	63.3
70.78775	2.5
71.08628	15.5
73.02907	1.7
73.06554	0.9
77.29404	0.7
79.04600	0.9
79.05487	5.9
81.07048	12.9
83.04972	1.7
83.08613	51.8
85.10172	6.4
91.05486	1.3
93.07041	8.7
95.08589	10.9
97.06530	6.1
97.10162	35.2
107.08563	6.0
108.74916	0.8
109.10172	4.3
111.08055	3.4
111.11715	12.5
115.07563	1.2
121.10136	6.5
123.11695	3.6
125.09609	3.8
125.13279	2.1
135.11679	4.8
137.13324	0.9
139.11180	1.8
149.13246	1.9
153.12732	1.0
163.14792	1.4
166.67754	0.7
177.16348	1.2
219.21161	2.0
237.11212	1.3
237.22133	1.1
264.24936	0.9
311.25781	100.0
312.26053	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	311.2215
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01854	5.0
55.05512	13.3
57.03451	1.9
57.07074	27.0
58.14555	0.9
63.59037	0.9
65.03941	1.3
67.05500	10.4
68.99799	1.9
69.07067	5.9
69.86329	5.1
71.01344	1.3
71.04999	1.9
79.05491	10.1
81.03417	2.1
81.07052	8.6
83.04981	14.5
83.08621	8.8
85.02887	1.7
91.05471	5.4
93.07028	10.8
95.04967	18.0
95.08618	8.1
97.06540	4.2
97.10158	5.8
98.21524	0.9
99.04462	2.7
99.08080	1.0
101.02383	1.2
105.07024	6.1
107.04938	5.0
107.08604	11.7
108.22230	0.9
109.02901	4.2
109.06516	2.0
109.10181	5.4
111.04437	30.0
111.08078	4.4
114.70664	0.9
115.07573	0.9
117.07049	2.3
119.08561	5.1
121.06520	1.8
121.10136	7.4
123.08079	1.4
123.11652	1.4
125.05982	8.2
125.09614	5.6
131.08571	4.5
133.10136	3.0
135.04401	2.9
135.08031	2.0
135.11702	4.9
137.05975	1.2
140.88457	0.9
141.09126	0.8
143.10632	1.1
145.10132	7.3
147.08069	1.3
147.11696	2.5
149.09612	11.8
153.05457	19.5
153.09009	1.6
153.12726	1.8
155.10629	1.1
159.11745	1.4
161.13271	1.1
163.03903	1.6
163.11186	11.4
165.09207	1.2
173.09589	1.1
175.07515	1.6
181.04929	5.0
181.12259	9.9
189.11238	6.8
191.10672	14.5
193.08601	1.0
195.10121	0.9
205.12212	1.4
209.11725	100.0
210.12032	2.8
211.13338	0.9
219.08115	1.0
219.10098	1.5
223.13284	18.7
227.12746	1.5
229.19366	1.1
237.11214	82.6
238.11574	2.2
247.20618	1.5
255.09726	1.7
255.12265	14.7
257.16318	1.0
257.19073	2.9
275.20050	20.7
293.17514	4.7
293.21112	19.9
311.09042	1.6
311.12769	1.2
311.18591	4.4
311.22150	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03939	7.0
55.01862	13.7
55.05509	40.3
57.03428	10.6
57.07073	13.5
58.77081	3.8
62.05588	4.3
65.03947	6.5
67.05506	87.7
69.03439	10.6
69.07069	43.2
70.06593	7.3
71.04971	11.7
71.59145	5.4
79.05494	47.1
81.03413	8.0
81.07055	100.0
81.07518	7.4
83.04996	8.4
83.08611	29.9
85.06555	6.2
91.05479	64.9
93.07039	59.9
95.04967	14.6
95.08604	60.9
97.06531	25.1
97.10168	22.8
99.08102	5.8
102.04717	4.9
103.05486	4.9
103.72132	4.8
105.07019	47.2
107.04960	19.8
107.08601	45.3
109.06513	10.9
109.10158	34.6
110.03703	5.0
111.04459	8.7
111.08124	5.6
112.21072	4.0
113.30855	4.4
117.07029	12.1
118.07215	4.4
119.08591	48.7
121.06536	13.5
121.10152	35.6
121.28484	4.4
123.08115	8.8
123.11687	9.7
125.09632	15.1
128.06230	5.3
129.07018	10.1
131.08542	31.4
133.06508	8.9
133.10126	38.5
135.08029	10.6
135.11682	11.5
135.99423	3.9
137.05963	20.1
137.09592	8.8
139.11165	7.1
141.06958	6.4
143.08507	5.9
145.10127	25.1
147.11662	23.9
149.09654	12.1
149.13263	7.8
155.08560	5.3
157.10138	13.2
159.07988	6.9
159.11713	18.9
161.13298	10.8
163.11194	10.6
165.12695	4.9
169.10161	4.7
170.40372	4.2
170.68068	4.5
171.08119	5.1
171.11719	5.3
173.02397	4.1
173.11858	8.3
173.13213	8.9
175.11179	4.9
179.14478	4.6
181.04750	4.4
181.74677	4.1
183.11694	5.1
187.07545	5.7
189.11220	12.3
191.08629	5.2
197.13261	5.1
201.16492	5.5
212.27406	4.5
213.16487	5.2
215.10617	5.6
219.08252	8.4
235.16896	5.5
239.17966	7.9
247.07596	5.1
247.20604	4.4
251.10724	10.3
257.18970	14.3
275.20087	82.8
276.20432	5.6
279.06519	24.3
279.10071	12.7
293.21133	24.1
311.09140	31.5
311.12686	23.4
311.19717	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	311.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
55.05493	1.8
56.96552	1.0
57.07048	0.7
57.93810	0.3
67.05507	3.8
69.03411	0.8
69.07054	1.3
70.06583	1.2
71.04963	0.6
71.20478	0.8
77.00908	0.7
79.05483	2.2
81.03419	0.5
81.07059	5.6
81.80343	0.4
83.04944	0.5
83.08582	1.0
87.04446	0.4
91.05486	2.0
93.07040	2.4
95.04967	1.0
95.08594	5.9
97.02866	0.4
97.06513	1.2
98.97604	0.5
103.05402	0.5
105.07001	2.3
107.04929	1.1
107.08575	1.2
109.06532	0.7
109.10146	1.3
110.07218	0.5
117.61057	0.4
118.06458	0.4
118.20878	0.3
119.08549	1.7
121.10072	0.9
123.04425	0.3
123.11729	0.6
125.09657	0.3
131.08565	0.4
133.10114	0.8
135.08054	0.8
135.11679	0.9
137.05981	2.4
145.10121	0.6
147.11624	0.7
161.13211	1.9
163.03714	0.4
179.14287	0.4
187.07483	0.5
190.07840	0.4
191.08569	1.3
213.05527	0.5
219.07985	1.4
237.13223	1.3
240.06613	1.6
243.14459	0.6
247.07455	0.7
251.10768	1.4
255.14420	3.5
273.15350	0.5
276.20450	0.7
279.06781	0.4
279.10129	2.0
281.17133	0.7
311.18271	100.0
312.18665	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.0
55.01862	11.7
55.05505	23.4
55.08320	1.8
56.96556	5.2
57.07072	2.7
60.04501	2.6
65.03918	3.7
67.05500	20.7
67.93066	2.0
69.03419	4.7
69.07072	10.8
70.06587	5.4
70.90988	5.0
71.04980	6.9
71.65563	1.8
78.19316	2.1
78.79837	1.8
79.05097	2.6
79.05492	22.4
81.03432	3.2
81.07048	30.9
81.78806	1.9
83.04984	11.1
83.08611	12.6
85.79975	1.9
89.59491	1.9
91.05471	20.5
93.07041	16.4
94.04195	4.7
95.04980	9.9
95.08595	18.1
97.06537	17.1
97.10155	15.0
99.04491	2.2
103.05453	3.8
105.07021	22.0
107.04940	12.6
107.08593	36.1
109.06505	9.1
109.10151	8.2
111.04425	5.5
111.08076	4.7
113.06002	4.2
115.05446	5.8
116.98599	4.2
117.07002	4.4
119.08575	12.5
121.02851	2.1
121.06495	4.8
121.10133	5.9
122.03623	11.7
123.08051	4.2
123.11731	2.3
125.09620	26.7
128.06252	2.8
128.47244	1.8
129.06996	7.3
131.04890	5.2
131.08566	7.2
133.06459	8.3
133.10118	6.0
134.06750	2.7
134.99706	2.5
135.08063	4.3
135.11705	6.4
137.05965	100.0
138.06273	3.7
139.11127	2.2
141.07034	2.6
144.05710	3.8
145.06429	3.4
145.10130	8.6
147.08090	2.2
147.11658	5.4
149.05995	5.2
149.09541	3.5
151.07634	2.5
153.06943	1.9
153.12703	4.2
155.04913	6.6
155.06056	2.0
156.05624	2.2
159.08070	8.2
159.11668	4.1
159.68062	2.1
161.05974	16.4
161.13251	2.8
163.11177	5.1
165.06956	4.6
167.10678	2.8
172.05258	2.9
173.13190	3.2
175.07449	2.3
177.12753	5.1
180.09331	2.8
181.12215	2.6
185.13181	2.2
187.07529	29.9
189.06972	6.3
189.11165	10.7
190.07771	26.4
191.08521	48.7
192.08900	2.4
194.07216	2.8
195.08099	2.7
195.13655	2.7
203.08508	4.0
205.06383	2.8
207.08080	8.7
208.08806	8.6
218.07210	13.8
219.08035	72.7
220.08630	8.3
223.13232	3.9
225.09239	2.4
233.09547	2.2
235.07489	5.9
236.08305	14.4
237.09055	3.7
240.07878	2.5
247.07498	27.2
248.08180	2.8
250.09769	2.5
251.10661	90.9
251.13306	4.3
252.10994	6.9
253.08640	7.7
256.17432	1.9
257.18872	2.8
261.09091	4.7
263.07178	4.5
264.07800	10.9
265.08438	5.3
268.10999	2.9
275.20029	30.3
279.10147	65.1
280.10751	10.1
281.08109	10.4
293.21027	17.3
296.10562	10.0
311.09286	5.1
311.12747	60.3
312.13086	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	311.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
54.54625	1.4
55.01872	3.0
55.05499	5.9
55.45486	1.2
56.05028	4.5
57.03435	1.7
58.06591	9.6
60.04519	3.8
65.03954	1.4
66.73031	1.3
67.05492	5.5
69.07067	3.1
70.02959	1.8
70.06588	22.6
70.54639	4.5
71.06910	1.7
72.04513	6.4
74.02435	25.1
79.05490	30.5
80.05819	1.7
81.03416	41.2
81.07056	11.0
82.02940	10.2
82.06561	3.8
83.01324	1.7
83.04975	4.7
83.07359	6.2
84.04489	4.0
84.08143	16.0
86.09694	11.0
88.03979	15.3
91.05479	33.0
93.07038	65.4
94.06562	9.7
94.07339	1.9
95.04982	9.0
95.08605	2.4
96.04458	1.7
96.08118	2.5
99.05580	14.7
100.03973	10.5
101.02370	2.1
103.05476	5.6
105.04501	1.6
105.07024	100.0
105.94418	1.3
106.06581	2.4
106.07332	1.7
107.04945	5.0
107.08580	9.5
109.02888	1.5
109.06509	15.3
110.06040	2.5
114.23483	1.5
115.05502	2.1
116.06267	2.8
117.06995	5.3
118.05017	13.3
118.06519	3.8
119.04929	3.3
119.08580	44.1
120.08092	5.1
121.06497	30.3
121.10137	40.3
123.07990	1.7
124.07615	1.7
129.06992	3.6
131.08569	22.6
133.06511	2.0
134.06042	1.8
136.07614	3.7
137.05981	3.3
138.12782	6.9
145.04996	1.6
145.06049	6.5
145.10126	1.5
146.04483	35.6
146.05962	4.7
147.04439	1.6
147.08052	3.1
148.07610	2.1
148.11223	11.8
149.09613	29.3
161.06001	1.8
163.07173	7.7
165.05515	2.1
166.12271	53.2
176.10738	3.0
177.02441	1.2
177.46509	1.3
202.12299	3.4
208.04341	2.3
214.10759	3.4
219.08168	2.4
219.80426	1.4
223.04318	3.2
225.21344	1.6
226.07291	1.8
229.11685	2.3
230.11731	22.3
247.14407	19.4
251.10614	2.6
255.86037	1.4
279.10132	2.4
293.15015	10.0
294.13342	24.0
311.12778	1.8
311.15967	41.0
312.16138	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.8
54.03472	1.4
55.01868	1.2
55.05502	6.1
56.05022	2.7
56.96553	1.1
57.03430	2.6
58.06595	5.4
59.80533	0.8
60.04517	1.0
60.07335	0.9
67.05507	3.5
68.71954	0.9
69.03429	1.5
69.35207	9.0
70.06587	4.5
71.06123	1.1
72.04508	6.9
73.02924	2.2
74.02438	28.3
79.05486	22.5
81.03400	1.2
81.07036	5.0
82.02948	7.4
82.06565	1.7
83.01357	1.1
83.04967	2.6
83.07363	3.1
84.04498	2.7
84.08141	4.7
85.02902	1.1
86.09698	1.1
91.05473	26.7
93.07038	50.0
94.04208	2.0
94.06555	2.2
95.04442	1.2
95.04955	4.9
95.08599	2.2
96.04484	1.8
99.05573	18.2
100.03976	10.6
101.02448	1.1
103.05480	4.2
105.07026	100.0
107.04944	1.8
107.08603	7.0
109.06522	9.1
110.06136	1.1
115.05460	1.9
116.06251	2.6
117.07008	3.5
118.05011	14.0
119.08577	44.2
120.08109	8.6
121.06499	29.7
121.10133	44.1
122.03642	2.2
122.05994	1.8
128.03424	1.2
128.06227	1.3
129.06992	4.1
129.10170	0.9
131.08556	20.7
133.06509	1.9
136.07613	1.6
137.05968	26.2
138.12779	2.8
139.08617	1.3
145.06087	7.4
146.04475	46.5
147.08046	2.1
148.11189	6.6
149.06006	1.1
149.09607	21.9
155.04878	1.2
159.08083	2.3
161.06010	4.0
163.07144	10.2
164.10707	1.7
166.12276	31.0
173.05649	2.3
175.07521	1.4
176.10701	1.2
176.73227	0.9
179.08601	1.1
187.07538	7.1
189.06970	2.1
190.07715	6.0
191.08566	12.1
202.12282	2.1
205.06528	1.3
207.08102	1.9
218.07303	2.3
219.08006	18.0
220.08702	2.4
229.11719	1.6
230.11757	13.5
233.41661	1.1
235.07524	2.1
236.08374	2.6
247.07574	6.0
247.14429	14.1
248.12799	2.3
251.10666	24.1
253.08609	2.2
261.09109	1.5
263.07144	1.2
264.07855	1.9
268.10892	1.2
279.07172	1.1
279.10150	19.1
281.08157	3.4
293.14890	8.9
294.13309	14.8
296.10394	4.0
311.09296	1.2
311.12738	16.1
311.16043	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56241	0.6
51.02371	1.2
53.03937	2.7
54.03454	1.4
55.01870	2.0
55.05515	4.9
56.05036	2.4
56.96572	0.8
57.03431	2.2
58.06595	4.6
60.04538	1.2
65.03958	1.2
67.05496	4.1
69.03426	1.7
69.07055	2.1
70.06589	6.4
71.05003	1.2
71.59072	1.3
72.04507	5.9
72.08115	1.2
73.02903	1.1
74.02436	26.2
76.20818	0.7
79.05487	22.0
81.03405	4.7
81.07050	8.0
82.02932	7.5
82.06547	1.0
83.01324	1.2
83.04978	1.0
83.07352	1.2
83.08632	0.9
84.04506	2.3
84.08131	4.7
85.02896	3.5
85.06533	1.0
86.09714	2.0
87.03189	0.7
87.04414	0.8
91.05472	24.8
93.07034	48.8
94.06564	3.7
95.04956	6.4
95.08588	2.3
96.04481	0.7
96.08171	0.9
97.02900	1.6
97.06531	1.0
99.05572	18.0
100.03973	11.9
103.05488	4.5
105.07021	100.0
106.07327	2.0
107.04948	2.7
107.08570	9.9
109.02824	1.4
109.06500	6.2
115.05491	1.2
116.06235	2.1
117.07111	5.6
118.05006	14.8
118.06493	0.7
119.04976	0.8
119.08570	47.8
120.08093	7.8
121.06493	31.8
121.07365	1.7
121.10135	44.3
122.03624	0.8
122.06038	3.7
123.04421	1.0
123.08039	1.1
127.03889	1.0
127.04923	0.8
128.03423	1.2
129.06985	3.7
131.04987	0.8
131.08557	19.7
133.06459	1.1
133.10167	0.9
135.11661	1.1
136.07561	1.0
136.11186	0.9
137.05971	8.3
138.12764	1.8
145.05002	1.4
145.06029	8.2
146.04468	43.4
147.08017	1.8
148.11209	3.7
149.08412	1.2
149.09599	20.2
159.08029	0.9
161.05949	1.9
162.05394	0.9
163.07112	10.4
164.10669	1.3
166.12270	19.2
173.05592	3.1
187.07542	2.1
190.07785	1.9
191.08585	4.1
202.12283	2.1
207.06418	0.8
218.07379	1.7
219.08058	4.8
230.11771	7.3
236.08246	0.8
238.03882	1.3
247.07541	2.0
247.14377	9.8
248.12669	0.8
251.10657	6.2
256.04944	1.4
261.08759	0.8
264.07715	1.0
264.93448	0.7
266.80975	0.7
279.10092	5.0
293.14993	8.1
294.13327	9.8
296.10388	1.6
311.09354	1.4
311.12604	4.9
311.15945	28.2
311.19211	1.1
312.12851	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1276
Annotation	Porphine
Peak:m/z	Relative Intensity
50.69575	1.0
53.03939	1.7
55.01853	3.0
55.05502	1.5
56.96557	1.4
59.94161	1.1
60.04504	3.2
63.43602	1.1
65.03912	1.2
66.45163	1.0
69.03416	3.8
69.07059	2.1
70.06590	12.3
70.59969	3.1
70.76771	1.0
79.05479	5.4
81.03410	5.1
81.07050	5.0
82.06556	1.5
83.04975	1.5
84.04494	1.2
84.08150	10.4
85.02905	7.1
86.09701	3.7
87.00803	3.2
91.05475	9.2
93.07042	5.8
94.04170	3.7
95.04961	3.5
95.08630	1.2
97.02881	3.9
98.20837	1.2
102.05500	2.1
103.05466	2.7
105.01847	4.7
105.07029	13.6
107.04946	3.1
107.08582	1.7
109.02876	1.7
109.06536	6.0
111.04476	1.1
115.05445	3.5
116.06253	2.2
116.98657	1.3
117.07053	1.5
118.06549	1.8
119.04961	1.9
119.08562	3.0
120.08092	4.9
121.06503	3.6
121.10177	3.1
122.03638	13.8
123.04411	1.5
127.03905	4.1
127.05399	1.5
128.06216	2.6
129.07013	5.5
129.10233	1.8
131.04929	2.5
131.08527	2.0
133.02840	2.1
133.06491	4.6
133.30351	1.0
135.04431	1.6
135.07993	1.2
136.07556	4.7
137.05975	100.0
138.06346	1.2
144.05649	4.0
145.04971	1.7
145.06476	2.4
146.04437	3.1
146.06000	3.4
147.04373	1.0
149.05995	7.3
151.07578	1.6
155.04904	9.9
157.06424	1.1
159.08054	8.4
161.03000	1.3
161.05986	14.5
162.05518	2.3
163.03909	1.4
164.07123	1.9
165.05632	1.4
165.07031	4.0
166.12305	1.4
167.07109	1.7
172.05235	2.6
175.07562	5.4
179.08528	3.5
180.09286	1.2
187.07536	28.5
189.07024	5.4
189.09064	1.9
190.07751	25.2
191.08548	53.7
192.09071	2.0
193.04912	1.6
193.06450	1.5
201.06956	1.6
202.07721	2.4
203.08571	1.5
205.06485	3.5
207.08052	6.5
208.08751	7.3
210.07603	1.4
218.07277	15.5
219.08047	72.3
220.08754	6.9
221.05972	3.6
225.09045	1.8
233.09628	2.7
235.07480	9.6
236.08336	15.2
237.09045	3.3
238.06186	1.5
246.06834	1.9
247.07532	27.2
247.09891	1.9
248.08269	3.8
249.05516	2.4
250.09810	1.2
251.10674	89.6
252.11133	2.9
253.08556	8.8
261.09082	4.0
263.07080	3.3
263.10419	1.3
264.07800	9.9
265.08615	4.3
266.05679	1.2
267.01804	1.2
267.10135	1.6
268.10760	1.6
279.10153	70.7
280.10809	7.9
281.08121	9.6
283.09778	1.6
283.13358	2.2
293.14902	1.3
293.18481	2.9
294.13495	1.2
296.10416	12.7
311.12759	76.4
311.15677	2.9
312.13199	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	311.1274
Annotation	Porphine
Peak:m/z	Relative Intensity
53.03933	1.5
53.84481	1.1
55.01879	1.2
57.03411	1.6
57.69796	1.1
60.04519	1.9
65.03949	1.3
67.05486	5.0
69.03420	2.1
69.07066	1.6
70.02942	1.1
70.06575	3.8
71.04986	1.6
71.60291	1.4
79.05495	5.3
81.03407	5.3
81.07046	3.8
84.08118	2.1
85.02899	1.6
86.09685	2.2
89.03922	2.5
91.05469	9.3
93.07022	3.6
94.04173	4.2
94.06532	2.5
95.04971	2.1
95.08603	2.6
103.05447	3.0
105.07047	7.9
107.04935	4.6
107.08614	1.3
109.06519	6.0
109.10119	2.6
111.08073	1.4
115.05447	4.9
115.33065	1.0
116.06191	1.2
117.03350	3.7
119.08583	1.5
121.06456	3.3
121.10178	1.7
122.03662	12.8
122.06004	2.2
123.04352	1.6
127.05416	1.5
128.06189	2.2
129.06987	5.9
130.06534	1.0
131.04910	2.7
131.08525	2.4
133.06499	6.8
133.10109	1.8
135.04384	8.7
137.05968	100.0
137.26913	1.3
138.06287	2.2
144.05702	3.8
145.02827	4.6
145.06425	2.4
145.10115	2.1
149.04831	1.9
149.05957	6.0
150.05466	4.4
155.04918	8.3
156.05663	1.9
159.08040	9.7
161.05968	16.1
161.09444	1.1
163.03903	30.5
163.07524	1.6
165.06984	3.5
167.07048	1.2
171.04431	1.7
172.05286	1.4
175.07509	4.9
179.08528	1.6
180.09369	1.9
187.05856	1.6
187.07549	31.9
189.06996	8.4
189.08727	1.5
190.07756	25.5
191.08533	60.1
192.09065	1.5
193.10085	1.8
195.08066	1.2
201.07053	1.7
202.07672	2.9
205.06476	2.7
205.10222	1.3
207.08081	7.1
208.08846	7.9
218.07259	14.3
219.08034	72.6
220.08754	8.3
221.05949	1.5
225.05292	1.4
233.09602	2.5
235.07509	7.8
236.08316	15.6
237.08992	3.4
246.06839	2.0
247.07520	30.0
248.08218	5.7
251.10651	97.3
252.07961	1.3
252.10913	2.3
253.08504	6.3
261.09061	3.7
262.09839	1.5
263.07190	1.2
264.07791	11.4
265.08600	4.2
268.10776	1.4
278.09573	1.2
279.10150	79.6
280.10803	7.7
281.08081	9.3
283.13293	2.2
293.11935	1.9
296.10373	10.6
311.05475	4.5
311.09586	2.6
311.12744	69.3
312.09061	1.4
312.12979	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1276
Annotation	Porphine
Peak:m/z	Relative Intensity
55.01850	1.2
55.05492	2.1
56.96549	1.6
67.05484	2.6
69.03416	1.2
69.07082	2.3
70.06569	2.4
70.88635	1.3
70.88992	2.3
79.05483	6.7
81.07062	6.4
83.08585	1.1
89.03918	1.0
91.05469	6.0
93.07059	2.4
94.04192	5.7
95.04945	1.9
95.08587	4.4
97.06532	1.6
103.05485	1.5
105.07027	8.9
106.47062	0.9
107.04941	2.8
109.06512	5.1
109.10147	1.8
114.16248	0.9
115.05441	3.0
116.06174	1.6
117.07046	1.0
119.08568	2.4
121.02847	2.4
121.06482	1.8
122.03646	11.9
123.04372	1.5
127.05424	1.5
128.06174	2.7
129.07033	5.7
131.04877	3.0
131.08575	1.3
133.06480	7.9
133.10081	1.3
137.05969	100.0
138.06323	2.1
144.05690	4.3
145.06480	2.5
149.05972	7.2
151.07515	1.3
155.04924	7.6
156.05627	1.9
159.08032	10.1
161.05984	16.5
161.13277	1.9
163.03944	1.3
165.06993	4.4
171.04431	1.4
172.05222	2.3
175.07578	4.7
179.08516	1.8
180.09338	1.9
187.07533	29.3
189.06978	7.6
189.09050	1.5
190.07751	30.6
190.09480	1.5
191.08539	58.2
192.08972	3.3
197.05946	1.2
199.03906	2.6
199.07518	1.0
201.06935	1.3
202.07684	2.2
205.06453	3.9
207.08089	6.8
208.08813	7.5
217.06621	1.8
218.07274	15.9
219.08035	73.1
220.08730	9.2
221.05933	3.4
221.09375	1.6
225.09073	1.5
226.09860	1.0
229.07500	1.3
232.84561	1.0
233.09471	2.3
235.07579	8.7
236.08284	15.0
237.08978	3.1
246.06726	2.1
247.07532	30.1
248.08247	4.3
249.09058	1.3
251.10655	99.7
252.10954	3.5
253.08647	7.1
261.09186	5.2
263.07071	2.5
264.07837	10.6
265.08423	4.5
267.10196	1.5
268.07431	1.0
268.10938	1.6
278.09344	1.7
279.10153	78.2
280.10764	7.0
281.08038	9.3
283.13403	1.5
295.09705	2.2
296.10480	9.0
311.12747	73.5
312.13147	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	311.1274
Annotation	Porphine
Peak:m/z	Relative Intensity
55.01867	3.2
55.05500	2.5
57.03428	2.1
58.06610	2.0
67.05485	2.2
69.01319	1.3
69.03407	2.4
69.07043	1.9
69.69702	11.3
70.06579	6.0
70.14738	1.3
74.02431	10.0
79.05485	12.6
81.03439	3.5
81.07050	9.2
82.02925	3.7
84.04489	1.7
84.08129	3.0
85.02890	3.2
85.06506	1.3
91.05479	15.9
93.07045	19.4
94.04190	3.7
95.04954	5.0
95.08588	3.0
97.02847	3.5
97.06527	1.4
98.97565	2.1
99.05573	5.5
100.03935	2.8
103.05474	2.9
105.07023	42.6
107.04939	5.5
107.08573	4.2
109.02858	2.2
109.06493	7.3
115.05439	3.7
116.06190	2.1
117.07018	2.2
118.05023	4.6
119.08566	17.6
120.08081	3.0
121.06490	11.6
121.10143	13.9
122.03640	11.7
124.07502	1.7
128.06236	2.0
129.06976	6.3
131.04874	1.9
131.08553	8.5
133.06485	7.2
137.05966	100.0
138.06393	1.4
144.05696	4.6
145.06282	3.3
146.04475	15.4
148.67151	1.6
149.05966	6.7
149.09592	6.3
151.07420	1.8
155.04849	7.7
159.08055	8.6
161.05971	14.6
163.07141	2.4
165.07010	5.3
166.12276	8.7
167.07045	4.8
172.05229	3.1
172.54460	1.6
175.07507	3.2
179.08533	4.7
181.06516	1.5
187.07535	26.6
189.07024	6.4
189.09052	1.4
190.07755	23.8
191.08542	48.6
192.08986	1.6
201.06818	2.1
203.08492	1.9
205.06514	2.4
207.08083	6.3
208.08894	8.1
218.07231	17.2
219.08029	68.2
220.08763	6.9
221.05968	3.4
229.07652	1.7
230.11714	4.2
233.05858	1.9
233.09718	2.0
235.07472	9.7
236.08301	16.8
246.06697	1.8
247.07549	27.5
247.14435	4.6
248.08276	3.3
249.05452	2.0
250.09903	1.9
251.10657	97.9
252.11105	3.4
253.08473	8.6
261.08981	3.1
263.06973	2.7
264.07867	9.4
265.08646	3.6
267.10150	2.6
268.11011	2.5
278.09476	2.1
279.07056	3.7
279.10153	70.8
280.10815	4.8
281.08069	12.0
283.13220	2.1
293.14954	3.4
294.13428	4.6
296.10422	15.2
311.05478	3.2
311.09338	2.9
311.12744	79.3
311.15967	12.6
312.13242	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	311.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14455	1.1
54.03457	3.2
55.01867	10.5
55.05496	1.6
56.03774	1.0
56.05029	4.1
57.03436	1.4
60.02131	1.4
60.04524	26.8
61.02917	7.8
69.03423	3.7
70.02935	2.1
70.06581	2.5
71.03734	13.0
71.59138	2.0
72.04146	1.7
72.04513	24.9
73.02901	2.8
74.02439	71.3
74.06055	1.7
78.07854	1.0
80.05012	1.9
81.03412	5.8
82.02946	10.3
82.06568	4.3
83.01331	2.0
83.04988	1.2
84.02151	5.5
84.04483	3.9
84.08132	6.1
85.02901	9.9
85.08470	1.4
86.06036	1.6
88.03990	24.1
89.04772	7.7
90.05569	1.9
91.05450	3.2
95.06098	2.8
96.04445	2.4
99.04459	3.3
99.05570	33.3
100.03361	2.0
100.03977	26.9
101.02378	22.1
102.03153	14.6
102.05511	2.3
106.05013	1.5
110.07140	1.2
112.02454	3.0
113.05894	0.9
117.06589	3.6
118.03609	1.9
118.05013	41.7
119.04909	2.0
128.03419	5.0
129.10233	2.3
130.03505	7.6
130.05005	3.4
131.01875	1.3
131.03386	3.2
133.71664	1.4
134.02985	2.2
136.07573	10.0
137.07925	1.8
139.03477	1.8
145.06076	15.1
146.04482	100.0
148.04585	2.5
148.06039	2.0
149.04405	4.1
157.04599	16.1
163.07147	27.7
166.04652	3.8
166.07095	20.7
167.02997	3.0
170.03043	1.3
173.05562	5.8
175.05667	7.9
175.06964	1.4
184.05766	8.1
185.04042	5.2
186.85651	1.0
187.01993	4.6
188.04114	1.4
191.06633	5.0
196.09673	1.6
197.56113	1.2
198.52560	1.0
205.03043	5.1
208.11565	1.9
209.12851	1.5
210.07263	1.8
212.05162	7.4
214.06880	1.8
226.06744	2.1
228.08282	8.8
230.06259	10.1
237.08197	1.5
238.06749	1.8
239.05017	1.3
240.04893	1.6
258.05722	10.8
263.08640	2.0
265.07742	1.6
266.06052	1.2
267.04880	1.5
268.20203	1.4
276.06812	5.3
283.08865	36.3
285.05698	1.8
301.09784	2.2
311.08041	6.4
311.11319	2.0
311.16071	3.7
329.09457	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	311.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27522	1.5
53.03937	3.3
55.01868	9.1
55.05506	12.7
56.96552	5.0
57.03439	2.1
57.07067	1.8
58.89963	1.6
64.71633	1.9
67.05507	12.0
69.03419	2.1
69.07053	5.4
70.06580	2.5
71.04977	3.7
71.20643	3.2
71.20972	1.7
79.05478	17.2
81.07042	21.2
81.88155	1.5
83.04969	10.1
83.08607	8.2
84.08105	2.7
91.05478	15.1
93.07036	10.0
94.04164	6.7
94.96009	1.6
95.04952	7.4
95.08591	8.0
97.06533	9.1
97.10168	9.5
97.83608	1.7
100.02762	1.7
103.05442	2.7
105.07006	19.3
107.04950	9.7
107.08582	22.1
109.06501	6.8
109.10126	4.7
111.04469	2.3
113.06002	2.3
115.05420	3.1
116.06196	1.8
117.07032	2.2
119.08561	4.5
121.02850	1.9
121.06498	3.6
121.10138	4.8
121.81026	2.1
122.03661	12.8
123.04443	2.2
123.08083	2.0
125.09631	15.9
128.06229	2.4
129.06984	6.6
131.04929	4.0
131.08548	5.2
133.06439	8.9
133.10129	5.6
134.99644	3.4
135.08028	2.4
135.11667	3.0
137.05965	100.0
139.11197	2.7
141.07010	2.4
143.08557	1.9
144.05669	3.8
145.06462	4.6
145.10120	5.0
146.03674	2.5
147.11696	2.2
149.05937	6.5
149.09642	3.5
151.07480	2.4
153.06972	2.3
153.12680	2.8
155.04900	6.8
159.08040	10.6
159.11639	2.5
161.05963	15.8
161.09605	1.7
161.13298	1.7
163.03831	2.0
163.11208	4.2
165.07086	5.3
167.07072	1.8
172.05196	3.7
174.06732	2.2
175.07480	3.5
177.12712	2.7
180.09325	2.6
187.07504	34.4
189.06964	7.3
189.11238	5.5
190.07755	24.8
191.08524	56.5
202.07739	3.3
203.08571	4.3
203.22675	2.0
205.06482	3.4
205.12364	2.0
207.08076	6.2
208.08826	6.3
218.07230	14.0
219.05904	3.9
219.08022	70.7
220.08745	9.1
221.06026	3.1
223.13385	2.5
233.09569	2.6
235.07542	9.5
236.08311	17.2
237.09097	4.7
247.07562	24.6
248.08202	3.3
249.09006	2.0
251.10655	82.6
252.11015	2.6
253.08611	6.6
261.09119	4.3
262.10065	1.9
263.07217	2.5
264.07724	8.8
265.08664	3.5
275.20056	17.8
279.10147	65.6
280.10730	7.0
281.08118	10.0
288.12320	2.0
293.11737	2.8
293.21146	13.1
295.09763	2.1
296.10422	10.0
306.13260	2.3
311.09094	3.6
311.12753	69.2
312.13147	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	311.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03465	2.4
55.01856	5.2
56.05022	3.3
57.03432	2.8
60.04514	15.8
61.02924	2.0
69.03413	2.5
70.06589	3.5
70.78327	2.0
70.78662	2.8
71.03714	5.8
71.06094	3.2
72.04507	43.6
73.02904	3.5
73.05291	2.5
74.02437	55.7
74.06059	6.9
82.02916	6.3
82.06596	1.9
83.06106	3.6
84.02105	3.4
84.04495	10.5
84.08118	2.5
85.02875	5.2
86.06046	2.6
87.84193	1.6
88.03992	12.9
89.04759	4.3
96.04487	2.2
97.02870	2.1
99.05573	18.4
100.03975	20.8
101.02368	6.6
102.03143	4.6
102.05508	3.7
109.05102	5.3
114.05507	1.9
115.03922	1.6
118.05013	25.6
121.05093	2.9
123.06632	1.8
128.03418	3.3
130.04959	8.0
132.06563	5.6
133.05009	1.5
135.06660	7.8
136.06175	49.7
137.06917	2.7
137.08118	3.8
138.05473	2.4
138.07690	5.8
145.05060	6.3
145.06070	8.4
146.03290	3.6
146.04469	70.7
148.06032	8.8
162.07736	100.0
163.07146	13.0
164.03964	1.7
164.09305	4.5
166.07140	10.8
173.05569	5.2
177.08850	3.1
179.06776	6.7
179.10403	32.3
180.05130	3.0
180.08797	4.5
210.24838	1.6
229.06737	2.4
259.84836	1.7
269.11258	4.3
283.08792	2.7
294.11896	9.0
311.10834	5.9
311.14597	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	311.0913
Annotation	Hoslundal
Peak:m/z	Relative Intensity
55.05464	0.7
56.96512	0.8
58.35882	0.6
61.26969	0.6
67.05456	1.4
69.07026	1.4
70.06532	0.9
70.76308	1.4
75.77927	0.5
79.05411	0.8
81.06968	1.8
83.08601	0.7
88.25806	0.6
91.05436	0.8
93.06989	0.9
95.04951	0.8
105.03345	1.4
105.06992	0.9
107.04864	1.2
107.08546	1.3
115.05380	1.9
116.38114	0.5
119.08492	0.8
131.08478	0.8
137.05920	1.2
159.04373	1.0
165.06985	0.8
165.93388	0.6
174.04465	0.6
178.07729	6.2
179.07076	0.9
179.08553	16.1
181.06389	0.7
189.06937	1.7
190.07698	1.5
191.08521	2.5
207.08035	16.2
217.06444	2.2
218.07225	1.2
219.08102	3.2
221.05859	1.6
229.13269	0.7
234.06773	7.7
235.07527	16.3
236.08151	0.7
239.07149	1.4
246.54832	0.6
247.04977	0.9
247.07536	19.9
263.07028	57.8
264.07596	1.5
269.08005	1.8
275.07104	5.0
279.10358	0.7
293.08069	100.0
294.08362	2.4
311.09128	63.7
311.12225	2.3
312.09540	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16917	2.2
51.02384	2.1
51.67992	2.6
53.03941	5.5
55.01868	23.4
55.05515	2.3
56.96550	3.1
57.03431	8.2
61.02909	2.7
65.03931	13.8
65.08105	2.3
66.57236	2.6
67.05507	12.9
68.99786	9.7
69.03416	7.8
70.06575	10.7
71.01365	3.7
71.05104	4.8
73.02922	4.1
73.06548	6.7
74.02432	5.8
79.05062	3.0
79.05489	42.8
81.03415	67.1
81.07053	11.6
82.02935	3.0
83.04981	5.1
84.04484	3.6
84.08128	14.0
85.02903	47.9
86.09709	9.7
87.00809	17.9
88.03992	2.6
89.03907	6.3
91.05479	38.4
93.03393	8.9
93.07031	10.9
95.04353	4.8
95.04963	88.7
95.08588	4.5
97.02874	6.4
98.44350	2.2
99.05553	3.4
102.05549	3.7
103.05462	12.4
105.01855	5.5
105.03391	2.4
105.04494	2.8
105.07021	61.4
107.04948	36.1
108.08121	2.2
109.02876	16.1
109.06525	17.1
109.07614	2.4
110.07153	4.3
111.04422	5.0
115.05455	33.7
118.04147	5.3
118.05000	3.3
119.04939	36.8
119.08569	5.3
120.08089	3.9
121.02857	92.6
121.06496	10.6
121.10126	6.3
123.04411	35.4
123.08054	3.5
125.02378	2.7
129.01854	4.8
131.04935	16.3
131.08525	2.6
133.02863	2.9
133.06480	61.7
133.07446	4.8
134.06006	3.1
135.00784	4.6
135.04399	47.3
136.07532	3.6
136.24222	2.2
137.02365	2.6
137.05959	27.5
139.03845	3.7
143.04900	11.5
145.02853	13.5
145.06258	4.1
146.04497	6.6
147.04396	14.7
148.11235	8.3
149.05997	10.2
149.09561	2.9
149.11772	2.4
151.03885	5.6
151.07495	5.0
152.07060	36.5
159.02930	4.3
159.04431	9.7
161.05971	96.4
162.03738	2.9
163.03879	16.7
165.05484	10.3
166.12231	10.8
171.02919	6.5
171.04379	56.5
177.05476	9.4
178.03238	16.4
179.03537	30.3
179.07018	19.9
182.92598	2.0
189.03923	6.8
189.05446	100.0
191.08513	3.1
196.06024	3.1
198.12788	2.2
200.11125	2.8
206.02702	3.6
207.03041	13.0
207.06482	21.3
209.04593	6.2
225.07518	2.8
228.10629	4.0
237.04037	5.2
265.08356	2.4
278.05649	2.4
283.91907	2.2
293.14960	6.6
294.06100	13.0
294.13971	2.6
311.08783	12.7
311.12408	4.1
311.15759	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	310.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.0
55.01853	5.5
55.05507	18.8
56.96555	7.5
57.03428	8.3
57.07050	4.6
59.04993	2.7
65.03932	3.9
67.05508	44.8
69.03419	6.0
69.07078	13.7
70.06588	25.4
70.73065	8.2
71.04989	17.8
72.05322	5.7
72.08149	4.1
73.02911	4.9
74.40553	3.1
75.04483	7.7
78.82632	2.7
79.05492	100.0
81.03405	33.9
81.07055	44.0
83.04977	7.7
84.04495	33.0
84.05289	3.5
84.08139	15.9
85.02898	50.4
86.03242	19.6
86.09694	15.2
87.04446	3.4
91.05474	77.2
92.05782	4.4
93.07040	88.2
94.06534	4.2
95.04964	36.1
95.08578	9.2
96.04503	3.0
97.02883	5.9
97.06509	4.9
98.97574	6.5
100.03973	3.1
102.05525	12.8
103.05431	3.6
105.07023	35.8
107.04957	37.0
107.08596	41.4
109.06503	43.9
115.05463	5.5
116.98620	7.2
117.07016	28.6
118.06522	4.1
119.04923	4.7
119.08568	22.9
120.08108	7.7
121.06507	36.8
121.10162	7.3
123.04462	6.1
127.03910	3.9
128.98579	3.4
129.05470	8.8
129.10245	3.7
130.04955	20.7
130.05795	4.8
130.07774	9.9
131.08519	3.5
133.10130	11.5
135.08052	4.0
135.11676	38.7
136.06303	2.8
136.07562	5.3
137.05983	5.9
138.09154	3.2
143.08563	4.6
144.08067	13.2
145.06180	2.6
145.10110	74.5
145.11270	3.7
146.06032	5.8
147.04338	3.6
148.04912	3.8
148.06020	42.2
148.07146	4.1
148.13258	4.7
149.09598	5.2
163.04028	3.2
163.07513	3.4
163.11162	48.6
164.07053	4.4
166.12218	6.8
176.31241	2.9
204.02188	3.1
225.59908	2.9
228.12491	3.8
236.13403	3.6
238.03180	4.5
251.10716	3.4
292.15552	4.7
310.07159	3.3
310.11365	4.3
310.16434	44.4
310.20062	8.3
311.09265	3.2
311.16052	4.6
328.07809	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	310.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
53.47474	1.7
55.01880	5.0
55.05512	15.9
56.05029	3.8
56.96562	4.3
57.03434	3.8
57.07072	4.9
65.03945	5.1
67.05170	3.2
67.05508	51.7
69.03425	5.0
69.07073	17.3
70.06595	13.7
71.04989	6.6
71.58942	2.7
72.08159	5.1
73.02901	1.9
78.01776	2.0
78.37486	2.3
78.83887	1.9
79.05495	100.0
81.03424	14.7
81.07059	58.3
82.06587	3.4
83.04974	6.6
84.04506	42.6
84.08137	9.3
85.02899	8.1
86.09712	11.3
91.05485	67.8
93.07050	96.2
94.06563	3.2
95.04982	32.6
95.08599	6.4
96.04391	2.2
96.08165	2.2
97.02898	4.4
97.06547	3.4
98.97582	2.4
102.05550	15.3
103.05489	4.7
105.07032	44.2
105.07684	3.9
107.04952	36.7
107.08595	42.1
109.06519	45.6
114.05540	4.1
115.05435	5.7
116.98641	3.3
117.07011	23.4
119.08575	23.6
120.08087	7.1
121.06514	35.7
121.10184	7.6
122.09671	2.7
123.12995	1.9
128.03288	2.1
129.10173	2.5
130.05002	23.2
130.07819	10.1
131.08571	2.6
133.06546	3.0
133.10133	7.2
134.99686	2.7
135.04385	1.9
135.08070	5.3
135.11697	48.2
137.05998	4.7
142.04997	2.5
143.08578	4.2
145.02850	4.2
145.10127	68.9
146.04520	3.0
147.04428	3.7
148.06047	42.5
148.07387	2.9
148.11272	2.8
148.13342	7.2
149.61876	2.3
150.09203	2.3
163.03923	5.7
163.11185	42.8
166.08691	5.4
166.12282	5.0
175.03964	2.1
192.10236	2.3
207.06483	3.0
218.15453	2.1
228.12291	10.6
235.96542	1.9
237.02765	2.1
251.09123	5.7
264.15930	4.5
266.17487	3.4
292.15521	4.3
310.07501	3.2
310.13058	2.8
310.16504	56.2
310.20013	7.8
311.12802	3.6
311.16425	3.1
322.23251	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.47876	3.0
53.03943	4.1
55.01873	12.0
55.05508	71.2
56.05863	3.2
56.96548	3.5
57.03426	14.8
57.07051	5.0
59.90771	3.3
64.45696	3.5
67.05507	61.5
69.03422	9.8
69.07068	32.3
70.21144	15.9
71.05002	6.1
72.93790	6.6
78.12221	3.5
79.05490	59.6
81.03403	13.8
81.07053	95.6
83.04984	21.5
83.08617	42.3
85.02900	3.9
85.06564	3.7
89.03092	3.4
90.94820	10.7
91.05479	36.3
93.07040	59.6
95.04964	36.0
95.08053	5.1
95.08612	62.7
97.02892	4.0
97.06537	11.0
97.10168	57.6
99.08067	4.3
103.05480	4.0
105.07025	40.5
107.04991	8.0
107.08585	37.9
108.95830	4.1
109.06516	14.7
109.10133	22.9
111.04415	7.0
111.08086	7.9
115.05508	3.3
117.07018	10.0
119.08556	29.2
121.06464	6.7
121.10135	20.8
123.08064	100.0
123.11726	19.0
125.09629	36.6
129.06993	8.7
131.08569	14.0
133.10095	16.1
135.08052	7.7
135.11713	8.5
137.09628	10.2
139.11215	5.1
144.99391	4.4
145.10139	10.8
147.08035	10.5
147.11688	10.1
148.99136	3.5
149.09613	7.2
149.13387	4.0
151.02063	7.4
151.11104	5.0
153.09085	7.3
157.10083	5.8
163.11180	16.2
165.00055	3.9
165.09140	14.2
169.12257	11.4
171.11719	5.0
173.13312	4.1
175.11212	7.2
179.14359	4.1
181.12216	7.0
187.13309	12.3
189.11250	40.5
191.10663	5.0
193.12238	13.5
201.03664	10.0
211.13229	4.2
223.13380	6.2
245.19086	5.8
250.07530	6.5
251.07259	20.7
255.17442	7.8
257.08337	6.0
263.20044	5.2
267.06573	3.9
268.08582	26.1
269.08344	84.1
273.18484	39.3
277.08588	5.2
286.09738	8.0
287.09305	18.9
291.19543	54.0
292.09921	5.1
309.11111	12.3
309.16742	36.5
309.20605	28.9
310.11435	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2208
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03941	6.9
54.26651	2.5
55.01875	4.8
55.05499	19.0
57.03429	8.9
57.07065	4.8
65.03949	3.1
67.05502	35.0
69.07059	23.3
69.27052	20.6
69.27475	7.3
71.04974	4.3
79.05481	29.0
81.07055	45.9
83.08620	10.6
91.05486	40.0
93.07037	70.7
95.04974	53.8
95.08599	52.2
97.06499	15.0
97.10192	3.8
103.05452	3.4
105.07027	75.5
106.66686	2.6
107.04942	4.3
107.08588	37.8
109.06523	12.9
109.10142	21.4
115.05464	6.2
117.07014	15.6
119.08572	68.8
121.06512	9.6
121.10139	100.0
123.08076	11.3
123.11749	13.7
125.09593	3.3
128.06221	8.4
129.06967	11.8
129.60898	3.0
130.07777	3.8
131.08559	34.1
133.06496	2.8
133.10109	35.5
134.97408	3.2
135.11688	14.2
141.06931	5.8
142.07780	14.8
143.08563	27.7
144.09389	10.3
145.10109	51.1
147.08043	5.3
147.11684	13.5
149.09618	5.0
149.13281	3.6
155.08553	16.8
156.09364	9.3
157.10107	36.4
158.10922	5.6
159.08092	4.2
159.11697	36.1
161.09628	10.5
161.13292	7.9
164.98477	5.9
167.08574	5.2
169.10107	24.2
170.10861	6.9
171.11644	19.0
173.13240	17.2
175.11208	2.9
175.14833	10.5
179.08545	7.9
181.10136	6.2
182.11005	4.5
183.11664	17.0
184.12404	3.7
185.09602	3.1
185.13228	16.0
187.11200	11.9
187.14804	21.6
193.10159	5.3
194.10777	4.0
195.11736	10.0
196.12376	3.8
197.13255	15.4
199.11278	2.9
199.14755	14.3
207.11734	10.0
209.13258	14.0
210.13997	4.9
211.11256	4.6
211.14839	12.2
213.16440	7.4
215.14406	5.5
221.13310	5.3
223.14842	6.1
225.12828	4.3
225.16437	6.6
235.14810	9.0
239.14375	3.6
249.16516	4.5
253.15875	8.9
253.19472	3.8
265.19650	5.2
267.17358	3.1
275.80814	3.3
281.22647	12.9
291.21103	11.8
309.21988	91.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2423
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
55.05515	41.4
57.03425	22.0
57.07053	6.3
61.04085	5.2
67.05505	91.7
69.07065	27.3
70.52052	5.4
70.66968	18.3
71.08636	64.6
79.05490	75.8
81.03406	7.9
81.07056	100.0
83.04965	16.2
83.08616	21.0
85.06542	16.2
91.05473	41.0
93.07042	96.0
95.04958	19.1
95.08615	76.0
97.06535	14.6
97.10161	19.1
99.08095	55.2
105.07036	31.4
107.04964	6.7
107.08598	66.2
109.10167	50.9
111.08077	6.4
117.06992	10.1
119.05081	6.1
119.08582	32.9
121.10144	46.6
123.11721	11.6
125.09636	13.6
131.08583	15.1
133.10123	23.6
135.11700	54.4
137.09550	8.8
143.08589	7.2
145.10104	14.3
147.11644	13.0
149.13242	15.4
151.11244	32.1
161.13284	13.0
163.11111	7.6
163.14851	7.5
179.14323	98.1
185.81181	5.6
187.14786	6.2
221.15283	8.8
259.20593	18.4
277.21637	79.6
301.42545	5.9
309.24124	18.7
316.30399	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	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03945	5.6
54.50851	4.4
55.01866	18.2
55.05503	28.8
56.96563	18.8
57.03435	22.8
67.05511	44.9
67.89875	5.5
69.03424	13.3
69.07068	24.6
69.74512	29.0
71.05010	8.0
79.05492	47.0
79.18678	4.2
81.07063	100.0
83.04981	28.7
83.08620	14.8
85.02948	5.7
85.06538	12.1
91.05466	55.1
93.07041	49.5
94.06619	4.4
95.04983	38.6
95.08621	22.8
97.06544	7.4
97.10163	12.0
99.08112	6.4
103.05504	4.9
105.07040	29.1
106.07379	5.6
106.42225	5.2
107.04964	12.9
107.08585	28.9
109.06516	33.5
109.10162	13.6
111.04444	38.6
111.08074	17.1
113.06010	32.1
116.98602	9.9
117.07004	20.2
119.08601	40.1
121.06515	9.7
121.10158	22.7
123.08077	12.9
123.11720	4.7
125.09606	8.1
129.07082	8.4
131.08586	14.3
133.10135	14.1
134.99667	11.1
135.08075	18.5
135.11728	14.5
137.09645	8.3
143.08530	7.3
145.10132	18.9
147.08014	14.1
147.11703	9.1
149.09622	11.0
153.12755	8.1
157.10153	8.3
159.11665	6.4
161.09634	13.3
162.09171	5.2
163.11211	18.4
165.09113	6.0
173.09557	5.4
173.13232	6.2
181.12279	16.0
189.11235	7.2
189.16547	5.1
191.10704	13.9
207.03300	19.8
217.15961	10.4
225.04298	26.6
227.12987	6.8
230.94638	6.0
235.16846	5.8
245.18936	5.3
248.06032	4.5
249.04344	9.0
249.14948	6.0
267.05310	10.2
272.95651	7.8
273.18436	29.5
291.19571	92.6
309.11209	14.8
309.20639	13.8
310.20215	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.66103	0.9
53.03936	3.2
55.01873	29.6
55.05515	12.3
56.96558	2.7
57.03429	6.4
57.07066	1.1
65.03921	1.3
66.32286	1.0
66.38441	0.9
67.05505	28.4
69.03423	1.4
69.07070	10.6
69.86066	6.1
71.04985	3.0
79.05492	16.0
81.03424	5.8
81.07056	21.5
83.04984	28.7
83.08618	3.8
85.06551	2.3
91.05488	16.0
93.07043	18.7
95.04974	14.0
95.08607	16.8
97.02874	1.3
97.06530	19.5
97.10174	3.3
98.21392	1.7
98.97579	1.8
99.04449	18.8
99.08092	1.8
101.18741	0.9
101.33651	0.9
103.05454	1.1
105.07024	11.4
107.04953	8.0
107.08603	14.0
109.06532	7.7
109.10157	12.6
111.04444	100.0
111.08085	4.0
112.04784	1.5
116.98619	1.8
117.07018	4.9
119.08586	8.7
121.06503	3.4
121.10133	5.9
123.04417	1.0
123.08060	4.7
123.11710	1.7
125.09637	4.8
127.07481	1.1
129.07014	2.9
131.04881	1.0
131.08549	7.3
133.06500	2.8
133.10144	8.2
134.99654	1.1
135.08031	5.8
135.11678	2.3
137.06047	1.4
137.09653	6.6
143.08528	3.4
145.10117	4.0
147.04451	1.3
147.08069	2.3
147.11638	2.2
149.09647	6.9
149.10730	1.1
151.11200	2.6
153.09093	17.5
157.10136	2.7
159.11694	2.8
159.44337	0.9
161.09631	7.4
161.13211	1.4
163.11235	1.5
165.12769	1.3
171.11670	1.4
173.11716	2.6
173.13245	1.4
175.11211	4.7
177.12816	1.6
179.10704	1.2
185.13354	1.6
187.11198	1.3
189.11150	1.6
189.12755	1.8
193.12207	2.8
199.14868	1.5
207.03250	1.9
217.15880	2.3
219.13725	1.3
221.11824	1.1
221.15387	1.3
225.04417	3.8
227.17688	1.1
231.13553	0.9
245.18864	2.1
249.04295	1.7
249.14899	2.6
251.85539	1.0
263.20050	3.4
267.05396	1.5
267.15924	1.4
272.95743	1.2
273.18500	12.0
277.08569	1.1
286.15729	1.8
291.19562	22.9
309.11084	3.1
309.20624	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	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03938	5.8
55.01867	20.3
55.05507	36.9
56.96571	4.3
57.03438	5.8
67.05504	87.5
69.03436	6.1
69.07069	30.0
71.04990	10.4
71.59374	6.0
76.02243	2.9
79.05492	44.8
81.03404	4.2
81.07059	100.0
83.04983	16.8
83.08622	14.6
85.02897	5.3
85.06531	6.4
91.05479	54.7
93.07043	48.4
95.04977	19.9
95.08605	43.2
97.02885	3.9
97.06522	9.6
97.10178	10.2
99.04453	5.0
105.07029	56.1
105.18420	3.0
107.04967	11.4
107.08589	48.9
109.06518	13.3
109.10158	93.1
111.04445	8.0
111.08096	13.6
113.06044	3.7
117.07001	7.3
119.08579	21.6
121.06531	11.2
121.10152	13.5
123.04443	3.3
123.08088	9.6
123.11703	13.9
127.07627	4.3
129.06934	6.3
131.08592	15.5
133.06474	7.6
133.10130	92.1
135.08069	10.6
135.11710	10.0
136.06190	3.6
137.05992	5.4
137.09650	6.2
139.07536	9.8
143.08583	8.2
145.10127	13.1
147.08061	8.9
147.11691	9.3
149.09618	9.5
151.10071	2.2
151.11183	55.0
155.08606	4.3
157.10153	8.5
159.11662	6.9
161.09616	12.7
161.13359	3.6
162.66026	2.9
163.11209	4.1
169.12256	12.2
171.11658	8.2
177.08998	4.6
179.10748	3.7
189.12781	5.9
199.11131	4.6
215.12949	3.5
217.12234	3.7
227.18040	4.5
245.19009	13.5
255.17505	5.9
263.20096	13.5
273.18558	36.3
291.19540	69.2
309.13379	4.0
309.20630	28.1
309.24124	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	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.76287	1.4
53.03942	2.4
55.01867	5.4
55.05513	28.7
56.96566	3.0
57.03435	3.1
59.05001	2.3
67.05508	20.2
67.42065	1.5
69.03432	3.5
69.07076	14.3
71.05003	2.1
71.18385	2.0
71.18711	2.0
79.05499	18.9
81.03416	6.8
81.07065	23.1
83.04985	6.6
83.08622	17.1
87.12128	1.6
91.05459	13.3
93.07056	16.7
95.04978	8.5
95.08617	10.0
95.09165	1.9
97.06534	3.7
97.10168	25.4
105.07033	9.5
107.04957	3.8
107.08612	14.6
109.06541	2.3
109.10158	5.2
111.04449	2.9
111.08069	3.6
117.07025	4.2
119.08592	9.4
121.06522	3.2
121.10159	5.2
123.08041	8.6
125.09623	18.1
129.07079	1.9
131.04933	7.1
131.08588	7.0
133.06499	3.1
133.10144	3.7
135.08073	2.9
135.11678	3.3
136.13037	1.6
137.09593	3.2
139.98663	1.4
143.08536	3.1
145.10114	4.5
147.04404	2.2
147.08081	5.8
147.11684	6.5
149.09535	2.3
153.09081	2.3
157.10106	2.8
159.11656	2.7
161.09644	2.3
163.11238	3.6
163.90358	2.1
164.38651	1.8
165.09164	3.2
171.11662	2.5
175.07664	1.7
175.11185	3.4
189.11261	8.6
189.12781	2.3
191.10764	2.0
193.12173	1.8
199.11136	2.0
200.47034	1.5
211.11095	1.9
222.11830	1.6
223.13210	2.3
227.14423	2.0
229.12140	4.0
249.14919	2.9
253.75847	1.7
270.86636	2.0
273.14926	4.0
273.18549	11.4
291.16156	3.3
291.19540	100.0
292.19940	5.2
309.20657	5.8
309.24249	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	309.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.4
56.96551	2.5
67.05514	4.6
69.03413	0.9
69.07063	5.1
69.74965	4.0
72.15034	0.7
79.05480	4.8
80.03281	0.8
81.07050	6.8
83.04967	1.1
83.08608	1.5
91.05451	2.8
93.07043	5.8
95.04949	2.7
95.08611	4.6
97.06495	1.4
97.10130	1.1
98.41862	0.8
98.97578	1.0
99.04379	0.8
99.08099	1.3
105.07001	2.5
107.04923	1.7
107.08582	2.5
109.10146	2.3
111.08012	0.9
111.11707	0.8
112.69931	0.8
116.98602	0.9
119.08559	2.1
121.10146	3.1
123.08028	0.8
123.11707	1.8
131.08580	0.9
133.10052	1.1
134.99648	0.8
135.11644	1.2
147.04330	1.7
149.13249	1.1
153.12810	1.0
159.11765	0.8
164.10844	0.8
196.16739	0.7
211.07695	0.7
215.11203	1.2
219.35730	0.8
225.04230	1.1
249.09171	1.0
251.07053	1.0
271.14014	0.8
277.08484	1.5
286.15436	0.9
291.19431	1.0
309.11014	3.9
309.16705	100.0
310.17047	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01874	2.0
55.05501	9.6
56.96567	4.3
57.03427	3.0
67.05503	10.1
69.03417	2.6
69.07079	5.5
70.06593	1.1
71.04989	1.4
71.17745	2.3
79.05498	9.8
81.03405	3.6
81.07059	14.6
83.04973	3.3
83.08623	5.8
85.06534	1.2
91.05482	8.7
92.80564	1.0
93.07037	11.1
95.04964	4.9
95.08612	9.8
97.06534	2.2
97.10160	5.2
98.97585	1.6
98.98451	1.1
99.08098	1.5
105.07018	4.3
107.04917	1.9
107.08593	5.1
109.06519	2.0
109.10130	3.1
111.08081	2.1
114.31869	1.0
116.98605	1.3
117.07018	2.2
118.78869	0.9
119.08597	4.5
121.06470	1.4
121.10152	3.6
123.08102	6.5
123.11720	1.9
125.09633	4.2
131.08571	3.5
133.10138	4.5
134.99625	2.0
135.08064	1.7
135.11728	1.7
137.09589	1.5
145.10117	2.5
147.08032	1.1
147.11646	1.2
165.09161	1.6
178.09435	1.0
189.11238	2.4
207.03255	1.4
225.04395	2.3
236.04268	1.5
249.04393	1.3
249.09058	2.1
264.03711	7.9
273.18460	3.4
273.21442	1.1
277.08524	1.8
279.06113	12.1
286.10321	1.8
291.19540	5.1
294.03540	1.2
304.11606	4.1
309.05829	25.7
309.11096	4.2
309.16727	100.0
309.20322	4.9
310.06134	1.5
310.16989	3.4
332.63174	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01872	16.4
55.05510	42.3
56.96566	18.2
57.03432	39.0
57.07071	8.7
61.90557	6.8
61.95549	6.9
65.03928	9.1
67.05502	72.3
69.03434	9.3
69.07066	33.4
69.80157	25.1
69.80592	20.7
70.32053	6.5
71.04964	9.0
79.05485	58.1
81.03404	11.3
81.07054	100.0
83.04980	12.3
83.08617	34.4
85.06544	9.0
91.05457	56.4
91.33505	6.5
93.07050	63.1
95.04966	11.2
95.08598	47.5
97.06507	11.4
97.10164	19.6
98.97561	9.9
99.08078	9.6
105.07005	33.9
107.04942	35.8
107.08597	37.4
109.06507	23.0
109.10163	22.7
111.08096	10.1
116.98608	8.9
117.07011	26.0
119.08580	52.2
121.06532	9.2
121.10181	25.1
123.08086	17.6
125.09615	13.9
129.06996	17.4
131.08556	34.0
133.06480	10.4
133.10123	24.4
134.99667	10.4
135.08043	15.3
143.08540	12.6
145.10097	26.4
147.08087	23.6
147.11691	15.4
149.09645	9.4
151.11160	8.7
159.08017	8.1
159.11719	9.9
173.13251	8.1
179.97809	7.5
182.15466	16.8
189.11147	12.9
199.14867	15.6
210.14954	27.7
217.15846	12.5
230.94562	10.4
249.06828	10.2
267.08725	7.2
273.18427	39.3
277.08530	9.6
291.19528	66.9
309.11166	23.0
309.20581	23.1
321.14569	7.8
324.40649	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	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03939	5.6
55.01868	10.8
55.05261	3.1
55.05510	41.6
56.96562	9.3
57.03436	17.7
57.07050	2.7
59.04988	2.8
60.67017	2.9
67.05510	60.5
69.03414	8.1
69.07072	25.6
70.42458	6.2
71.04983	8.1
79.05490	51.7
81.03421	16.9
81.07057	100.0
83.04976	12.4
83.08625	25.5
85.06535	4.4
91.05482	39.5
93.07040	60.4
95.04966	22.0
95.08602	51.6
95.22650	2.3
97.06525	13.5
97.10169	29.1
98.21358	2.8
98.97590	4.4
99.08094	6.4
105.04469	4.4
105.07036	30.0
107.04930	12.1
107.08594	30.7
109.06522	29.1
109.10153	30.3
111.04448	10.8
111.08086	11.7
113.05976	6.0
116.98694	3.7
117.07024	14.3
119.04907	2.8
119.08564	26.7
121.06518	9.8
121.10133	15.3
123.04420	2.8
123.08059	26.3
123.11730	4.9
125.09643	27.3
127.07615	3.2
129.07016	7.2
131.08565	13.4
133.06485	3.6
133.10120	20.3
134.99643	5.3
135.08047	11.0
135.11702	8.3
137.09628	13.9
139.11215	3.7
142.07687	2.3
142.76402	2.8
143.08531	7.5
145.10110	9.2
147.08060	7.5
147.11667	8.2
149.09642	6.9
149.13206	3.3
151.11206	8.7
153.09070	3.3
153.12755	2.7
157.10098	7.7
159.11707	5.6
161.09613	8.8
161.13272	2.7
163.11150	16.7
165.09131	8.7
169.10158	2.9
169.12236	2.3
171.11694	5.6
171.80965	2.9
173.87074	2.6
175.11206	6.4
177.12755	3.2
181.12283	4.6
187.11182	3.5
189.11198	20.2
189.12654	3.3
191.10655	5.2
193.12265	8.0
194.16084	2.9
199.14874	4.5
201.12726	3.6
211.13290	4.1
213.08043	2.9
217.15919	7.0
219.13893	2.6
223.13344	4.2
225.04424	3.6
232.77385	2.6
235.16924	3.8
239.09610	2.8
249.08908	3.0
255.17371	4.9
273.18491	27.3
277.08743	4.7
287.11853	5.7
291.16266	2.6
291.19510	61.6
292.19962	4.1
305.12708	9.3
309.11227	8.4
309.17303	4.4
309.20654	21.0
309.25574	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	309.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.01887	1.2
55.05494	4.0
56.96571	8.1
57.03441	9.7
59.04984	1.2
59.05854	1.0
61.02933	2.3
63.79968	1.1
67.05493	4.8
69.03410	4.1
69.65159	1.0
70.02962	0.9
70.06574	1.2
70.31389	1.0
71.01343	1.1
71.04991	28.0
71.59698	1.4
72.08151	1.0
73.02901	5.9
74.01244	0.8
75.04479	11.1
76.02228	1.2
79.05499	4.9
81.03420	5.0
81.07050	2.5
83.04982	5.3
83.08639	1.0
84.04505	3.1
84.08113	1.4
84.64860	1.2
84.96034	2.1
85.02903	100.0
86.09719	1.4
87.04460	1.8
91.05480	19.3
93.07035	4.2
95.04967	7.6
97.02867	4.9
97.06521	3.0
98.97565	7.9
99.05553	2.5
101.06021	1.0
103.03922	1.4
105.07040	3.1
107.04961	2.3
107.08599	1.7
109.02888	2.8
109.06528	2.1
110.97567	2.3
111.04424	2.8
115.97844	1.3
116.98640	7.2
117.07032	2.1
118.56086	1.0
119.04910	1.9
119.08557	3.6
120.08132	1.6
121.06523	2.1
121.10113	1.9
123.04429	4.3
127.03909	3.5
128.98576	4.7
129.05481	22.3
129.06970	1.4
129.87987	1.1
131.08565	1.4
133.10187	1.2
133.65314	1.0
134.99667	5.1
136.07607	1.1
137.05937	1.3
145.06065	2.1
146.99667	4.8
147.04425	10.4
147.06488	10.7
147.07625	1.3
147.08018	1.0
149.01157	1.5
157.10141	1.1
161.01225	2.3
162.99074	1.2
163.11168	2.7
165.00604	2.3
170.99698	1.8
171.06781	1.1
177.00717	2.7
177.05376	1.2
201.00691	1.2
207.03258	2.6
207.13918	1.4
217.12158	1.1
219.01700	3.6
225.04367	1.4
229.51509	1.0
235.13127	5.0
237.02861	8.5
255.03810	1.3
255.08612	1.1
263.14682	1.4
277.08713	1.3
309.07297	3.3
309.10980	2.3
309.13965	7.1
309.17639	2.3
327.07462	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	307.2266
Annotation	Glanvillic acid A
Peak:m/z	Relative Intensity
53.03948	1.4
55.01871	7.3
55.05256	1.1
55.05508	14.0
55.50820	0.7
57.03438	0.9
57.07066	1.3
58.52122	0.5
59.04996	0.6
59.36208	0.6
63.28669	0.6
65.03939	0.9
67.05501	14.5
69.03424	1.5
69.07066	13.0
71.04988	1.9
71.08620	1.2
71.12527	0.7
71.12841	0.6
75.69003	0.6
79.05487	9.1
81.03369	0.6
81.07054	20.8
83.04968	1.8
83.08620	4.2
85.06518	1.2
91.05478	6.2
93.07032	9.8
95.04964	9.6
95.08604	15.1
97.06522	8.6
97.10168	4.2
99.08091	1.3
105.07033	8.8
107.04960	1.1
107.08592	7.6
109.06515	93.6
109.10136	4.5
110.06861	1.6
111.08088	1.5
111.11644	0.7
117.07024	2.5
119.08590	8.5
121.06522	4.4
121.10144	4.7
123.08066	4.5
123.11707	2.3
125.09647	0.8
131.08568	4.6
133.10126	3.3
135.08046	3.6
135.11726	1.2
137.09663	2.9
139.11160	1.7
143.08490	0.6
145.10130	3.6
147.11665	4.2
149.09613	3.7
149.13252	1.5
151.11208	1.4
157.10136	0.6
159.11700	2.2
161.13252	1.8
163.11200	3.7
163.14886	1.3
165.12761	7.4
173.13252	3.8
175.11192	1.3
175.14891	1.1
177.12750	1.5
183.11615	0.5
187.14876	1.2
191.14322	2.8
195.17487	0.6
197.13275	1.2
203.12758	0.7
205.15912	0.9
215.14206	0.9
221.15343	1.0
233.15353	2.5
239.16441	1.2
247.20578	1.5
251.16426	28.4
252.16780	1.0
259.80222	0.5
261.22195	2.1
265.17984	1.4
271.20517	1.1
289.21597	13.6
290.21976	1.0
291.23138	3.2
293.39142	0.6
307.22662	100.0
308.23013	4.8
308.26025	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92212	0.4
55.05477	0.4
56.96563	58.4
61.20439	0.4
68.41049	0.4
69.01029	0.5
70.73042	0.9
70.73412	0.9
71.95259	6.6
72.96030	3.7
74.97628	1.3
81.07054	0.9
84.96027	2.1
88.38683	0.5
92.98642	0.9
95.46284	0.4
97.96837	0.8
98.97581	1.2
105.00164	0.5
107.04955	0.5
110.97635	1.2
115.66675	0.4
115.97798	0.5
116.98604	1.1
123.01201	0.9
128.98610	1.1
133.01761	0.6
134.99657	1.2
135.54549	0.5
137.02721	2.4
139.00638	0.7
141.02249	1.9
145.01747	0.7
146.99664	1.5
151.00557	0.4
151.04262	0.4
153.00632	0.6
153.02194	1.1
155.03795	3.8
157.01744	1.7
159.03258	3.2
163.00676	0.4
169.01706	1.1
169.05386	1.3
169.60089	0.4
171.03311	2.9
173.04895	1.4
175.02792	1.3
177.04311	2.1
181.01732	1.4
181.05251	0.5
183.03374	0.9
183.06902	0.4
185.04852	2.4
187.02815	1.0
187.06360	0.5
189.04318	3.9
191.05933	0.5
192.05553	0.4
193.05336	0.8
199.02794	1.9
199.06468	1.1
201.04311	0.9
203.02325	1.1
203.05931	3.6
207.03384	2.3
207.05161	0.8
209.08551	0.5
211.06430	2.2
211.10025	0.5
213.07977	1.0
217.03822	3.1
217.07483	1.1
220.50641	0.5
221.08542	0.5
223.06342	0.6
223.09950	5.4
225.04399	3.6
229.05450	0.5
229.07452	2.1
231.06880	0.5
231.09137	0.6
237.07913	0.8
239.09575	1.2
241.11095	64.9
242.11412	0.7
249.04344	2.2
249.08023	1.2
255.09015	0.6
259.12161	100.0
260.12527	1.5
264.12723	5.0
267.05441	1.8
267.08963	12.5
277.13177	1.4
282.13724	4.8
285.10080	68.5
286.10461	0.9
303.11133	58.9
304.11505	0.6
308.11734	6.7
321.12201	1.2
326.12738	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	308.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04506	0.3
61.76579	0.2
66.42529	0.3
69.81023	1.4
83.05002	0.3
86.06054	3.0
95.98428	0.3
102.65011	0.2
105.44441	0.2
120.20685	0.2
165.06979	0.8
178.07770	3.7
179.08537	0.6
189.06989	2.2
190.06108	0.4
190.07761	5.5
191.08539	42.5
192.08913	0.6
193.06522	0.5
193.10138	2.2
201.06921	0.6
202.07748	2.1
203.08540	5.1
204.09131	0.3
205.06479	1.1
206.07309	0.4
207.08028	1.0
218.07417	0.5
218.09492	0.4
219.08040	34.0
220.08449	0.7
221.05959	0.4
221.09598	2.2
229.07544	1.5
231.08057	1.4
232.08829	0.5
234.06729	0.3
236.10703	2.6
247.07516	0.5
249.09094	100.0
250.09412	2.3
266.11743	3.0
269.10587	0.3
275.56943	0.3
276.25641	0.3
278.11783	0.5
291.10138	0.5
308.12799	9.3
331.77014	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45208	1.1
53.03936	1.5
55.01875	2.1
55.05505	8.3
57.03436	23.3
57.07075	1.8
57.99753	1.0
67.05508	18.1
69.07071	6.3
71.04984	1.2
71.51530	2.0
71.51871	2.1
79.05489	20.1
81.03395	1.6
81.07054	37.4
83.04956	1.3
83.08603	4.3
85.06537	4.3
91.04965	1.9
91.05482	21.3
93.07040	23.1
95.04945	3.4
95.08603	16.4
97.06549	2.2
97.10178	2.5
97.53274	1.1
99.04443	3.0
105.07030	15.9
107.04953	3.5
107.08591	12.6
109.06512	16.8
109.10126	5.9
113.09519	1.1
117.07037	9.3
119.08569	16.6
121.06504	2.0
121.10135	10.2
123.08031	3.2
125.09597	2.1
129.07025	2.7
131.08559	13.4
133.10107	10.9
135.08034	2.0
135.11664	4.5
137.09627	3.9
143.08533	3.5
145.10110	7.6
147.11697	6.3
149.09607	4.1
149.13225	2.4
151.11131	1.7
157.10178	2.6
159.11725	7.4
161.13280	2.1
163.11156	1.3
164.98434	1.6
171.11696	1.3
173.13243	3.0
175.14822	1.3
185.13226	7.3
199.14990	1.0
201.16437	6.7
203.14340	10.8
219.17436	100.0
220.17769	3.2
235.16908	6.8
239.17929	1.7
257.18967	4.7
269.01682	1.2
275.20078	23.0
307.22620	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	307.2265
Annotation	Wyethic acid
Peak:m/z	Relative Intensity
53.03898	0.6
55.01838	2.1
55.05509	10.0
57.03411	0.8
57.07075	3.7
63.07222	0.5
64.52077	0.5
65.03904	0.8
67.05505	13.2
69.03427	2.8
69.06728	0.6
69.07061	8.4
71.04958	1.8
71.08595	1.6
71.58901	0.8
71.59284	0.6
79.05489	11.5
81.03411	2.6
81.07055	18.9
83.04940	2.1
83.08610	2.9
85.02883	0.7
85.06500	2.2
91.05464	7.6
91.44140	0.5
93.06487	1.0
93.07040	17.9
95.04462	0.5
95.04970	5.8
95.08602	15.8
97.06521	2.8
97.10131	2.0
97.21127	0.5
99.08082	0.6
105.07027	17.0
107.04935	1.2
107.07874	0.9
107.08586	16.9
109.06512	26.0
109.10161	6.3
111.08052	1.7
115.05415	0.7
117.07027	3.0
119.08578	11.8
121.06505	8.6
121.10141	6.2
122.07201	0.6
123.08056	6.5
123.11703	2.6
125.09586	0.8
129.07004	1.0
130.07629	0.6
131.08560	6.5
133.10121	5.1
135.08047	8.3
135.11700	3.6
136.08867	0.5
137.05891	0.5
137.09589	1.2
143.08487	0.7
145.09160	0.6
145.10118	5.8
147.08032	1.8
147.11688	6.0
149.09624	2.4
149.13239	3.8
151.11157	1.2
151.14735	0.5
155.08549	0.9
159.08002	0.8
159.11708	2.8
161.09579	1.2
161.13258	3.6
163.11165	5.6
163.14771	1.7
165.11388	1.0
165.12749	17.7
166.13153	0.7
173.09613	0.7
173.13252	3.0
175.11122	0.7
175.14748	1.1
177.12735	3.7
177.16377	0.9
179.10611	1.9
179.14238	1.0
183.11690	0.9
187.14809	1.8
189.12796	0.8
191.14308	2.1
197.13208	1.4
201.16431	1.1
205.15811	1.0
211.14705	0.6
215.14323	1.5
219.17325	0.6
221.15552	0.7
233.15387	1.2
243.21025	2.7
247.20483	0.8
251.16402	6.3
261.02988	0.8
261.22153	14.4
262.22528	0.7
264.07571	0.6
271.20700	2.4
280.20007	0.5
289.21606	100.0
290.21890	4.6
291.74323	0.5
307.09729	1.6
307.22665	32.9
308.10236	0.7
308.23041	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	307.2266
Annotation	Glanvillic acid A
Peak:m/z	Relative Intensity
55.01850	4.9
55.05515	14.8
57.03416	2.0
57.07061	4.0
59.34848	1.8
65.03940	2.3
67.05503	21.5
69.07065	18.5
71.04986	2.0
71.08618	6.5
72.04504	2.7
79.05497	16.7
81.07050	29.0
83.04984	3.1
83.08619	6.5
85.06544	2.3
85.96141	1.8
91.05461	12.2
93.07039	19.5
95.04972	14.2
95.08605	22.4
96.05326	1.7
97.06534	7.5
97.10162	5.1
99.08112	6.1
99.13841	1.6
105.07021	10.4
107.04974	2.5
107.08571	10.8
109.06517	65.8
109.07260	3.8
109.10134	10.2
112.99966	1.6
117.07012	3.4
119.08575	11.5
121.02859	1.7
121.06527	6.4
121.10120	8.9
123.08055	6.5
123.11674	3.3
125.09557	2.1
129.07094	1.6
131.08549	5.3
133.10155	4.3
135.08072	4.9
135.11681	3.9
137.09605	2.4
139.11140	1.6
143.08513	2.5
145.10129	5.4
147.11688	6.1
149.13216	1.9
151.11098	2.0
159.11671	4.3
163.11203	5.2
163.14775	1.9
165.12750	60.3
173.13272	4.6
175.14929	1.9
179.14502	1.6
191.14311	4.8
205.15964	1.9
233.99222	2.0
251.16354	15.6
261.03131	3.0
261.22202	9.9
275.20038	2.9
289.21652	18.9
307.22687	100.0
307.28134	3.9
308.23087	4.5
308.29440	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	307.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91549	0.3
56.05039	2.3
56.96564	0.9
58.06594	4.0
61.01149	0.7
68.05029	0.5
69.03409	1.0
70.06582	1.1
70.68655	0.7
70.69055	0.8
71.03718	0.4
72.08176	0.6
74.02422	0.5
74.06052	0.4
75.02690	0.4
76.02220	0.5
83.04988	0.4
84.04498	26.5
84.08135	100.0
85.02866	0.4
85.08449	0.7
86.06059	7.7
86.09694	5.8
88.03979	3.3
96.04532	0.5
98.06038	0.8
100.33563	0.4
102.09158	0.5
104.02767	0.3
114.12804	0.5
116.39094	0.4
120.08092	0.7
123.04398	0.6
130.06497	5.2
130.08617	1.7
132.04434	1.7
132.08424	2.2
134.09612	0.4
141.13846	6.5
142.67305	0.4
144.08037	0.5
144.10201	1.2
146.05992	0.8
157.07619	4.8
158.05989	6.7
163.03836	1.1
169.13345	9.8
175.08633	3.6
178.25958	0.4
196.09676	0.4
198.11192	1.4
201.12347	0.4
215.13895	44.2
216.14241	0.8
221.09247	0.4
234.99098	0.5
243.17027	50.1
244.17349	1.1
261.08749	1.9
262.11099	2.4
289.08133	0.5
307.09241	0.4
307.16803	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	307.2055
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
55.01855	2.8
55.05495	7.2
57.03421	2.6
61.18904	2.3
67.05500	18.2
69.07078	13.3
71.04977	2.7
71.59020	4.5
79.05493	22.0
81.06657	3.1
81.07053	29.8
83.04964	4.7
83.08591	4.7
90.56119	2.4
91.05477	27.1
93.07019	21.0
95.04964	25.2
95.08611	14.2
97.06519	13.5
103.05505	3.0
105.07019	38.7
107.08596	14.2
109.06493	12.0
109.10116	7.3
115.05408	2.7
116.06164	2.8
117.06993	13.0
119.08580	35.1
121.02866	4.3
121.06490	3.0
121.10131	10.3
123.11644	2.9
128.06186	9.0
129.06992	9.8
130.07820	3.9
131.08543	22.4
133.09218	4.0
133.10130	44.6
141.06935	10.3
142.07797	17.4
143.08568	34.3
144.09314	6.9
145.10127	24.8
147.08017	7.4
147.11613	4.8
149.09604	5.6
153.07005	3.8
154.07710	4.5
155.08492	8.0
156.09314	9.1
157.10106	24.2
158.10864	7.7
159.08037	3.8
159.11684	21.0
161.09550	7.5
163.11134	2.9
165.06958	5.1
165.12718	2.9
166.07835	3.7
167.08540	14.1
168.09300	5.4
168.25182	2.5
169.10126	20.2
170.10840	4.5
171.11687	21.3
173.13287	15.9
179.08476	10.1
180.09337	5.2
181.10098	14.6
182.10928	15.0
183.11662	11.1
184.12445	4.5
185.09599	3.1
185.13229	3.5
187.11099	7.0
192.09326	7.8
193.10144	14.3
194.10838	10.7
195.11682	14.6
196.12437	7.8
197.13255	21.4
199.14774	6.0
199.57648	2.8
204.09373	2.6
206.10959	11.9
207.11647	20.8
208.12431	8.4
209.13234	18.7
211.14781	13.7
216.09413	3.3
217.10127	5.4
218.10870	4.3
219.11661	9.3
220.12384	6.5
221.13281	23.6
222.13864	5.5
223.14807	12.1
225.16452	4.5
229.10123	5.1
230.10765	3.4
231.11574	4.8
232.12451	8.3
233.13120	11.6
234.13956	7.2
235.14799	8.2
237.16367	6.1
244.12392	3.0
247.14737	9.9
248.15521	6.2
249.16429	12.0
251.14178	4.4
251.77295	2.6
259.14676	9.1
260.15402	3.1
261.02982	5.8
261.16302	5.0
263.17935	22.0
265.19461	3.0
274.17053	9.5
279.20840	7.3
289.19434	25.2
307.09482	6.6
307.20413	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.3
56.96560	0.8
66.27372	0.4
67.05499	1.9
69.03436	0.7
69.07061	0.8
69.18421	0.5
70.06597	1.0
70.41442	1.6
71.04970	0.4
71.88381	0.4
76.13656	0.4
78.27973	0.4
79.05492	1.8
80.05007	0.8
80.73369	0.4
81.03412	1.4
81.07052	2.5
83.04981	0.9
87.39759	0.5
91.05473	2.9
93.07037	1.9
95.04961	1.7
95.07347	0.5
95.08594	1.8
96.08118	0.9
97.06530	0.6
102.86497	0.5
105.07017	2.1
107.04961	1.1
107.08587	1.6
108.08114	0.6
109.06521	0.6
109.10158	1.5
117.07010	0.5
119.08610	1.0
121.10139	1.1
122.06018	1.7
123.06801	1.4
123.11660	0.6
124.07590	8.1
125.09601	0.7
126.09138	4.4
129.06973	0.5
130.06514	0.6
131.08554	1.0
133.10144	0.9
135.08047	0.6
136.07571	59.0
137.07896	0.6
138.09132	54.1
139.09467	1.4
140.07085	2.3
145.10075	0.9
146.06046	0.6
147.08098	0.7
147.11699	0.8
151.07587	0.6
152.07059	16.2
161.09634	0.5
163.03998	0.5
164.07059	100.0
165.07474	2.2
165.08759	0.4
170.08115	4.2
182.08124	21.6
208.03670	0.9
287.05505	0.9
289.15417	3.0
289.18039	0.5
292.07150	0.6
307.06046	0.6
307.15912	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01868	0.8
55.05507	14.9
56.96557	0.6
57.03447	0.5
59.84705	0.5
67.05502	2.6
68.05031	0.5
69.03421	1.5
69.07062	0.9
70.06584	4.4
71.04971	1.0
71.28436	0.5
71.58897	0.8
72.08144	0.7
73.02905	1.1
76.02224	2.2
79.05490	3.7
80.04997	3.7
81.03416	4.4
81.07050	2.1
82.02913	0.6
82.06572	9.4
83.01337	0.7
84.04507	1.3
84.08134	1.2
85.02888	1.1
86.09731	0.6
90.65941	0.5
91.05481	7.0
93.05781	0.7
93.07047	6.3
94.04768	0.5
94.06555	6.9
95.04958	1.5
95.08611	2.0
96.04495	3.8
96.08134	0.7
97.05271	1.7
98.06051	100.0
98.97578	1.0
99.04436	1.0
99.06387	0.9
103.05461	4.5
105.05775	1.8
105.07008	1.9
106.06569	1.8
107.04913	0.8
107.08612	0.9
108.04469	4.4
108.08115	5.5
110.06035	1.7
117.05742	0.6
117.07052	0.6
118.06526	7.2
119.01857	0.6
119.07317	2.5
119.08572	0.9
120.08100	52.8
122.06049	0.8
123.08046	0.9
124.03976	1.0
124.07629	1.3
129.06982	0.6
130.04984	0.7
130.06546	1.5
131.08562	0.7
133.10109	1.1
134.06036	3.0
135.08049	0.6
136.07574	6.6
137.05991	0.8
138.05470	3.7
138.09090	0.9
143.04970	0.6
145.06573	0.6
145.09976	0.5
146.05998	21.2
147.06775	2.3
148.07570	2.4
150.96918	0.5
151.07541	1.0
152.06993	1.1
154.01895	0.5
157.07660	1.3
158.05998	1.8
161.08366	0.6
162.02173	0.8
162.05505	4.7
162.09097	1.4
163.03876	0.8
163.08640	0.6
164.07063	41.9
167.08665	0.6
171.68314	0.5
175.11253	0.5
179.04874	1.0
180.06558	0.8
182.08112	4.2
183.08101	0.7
189.09087	0.8
191.08282	0.8
192.06541	21.5
192.10251	0.8
193.07315	1.2
195.08040	0.7
197.10762	1.1
198.09142	1.7
199.08685	3.0
200.09459	1.6
204.11874	0.5
206.11903	0.6
208.05994	3.0
209.07193	0.9
209.09258	1.1
210.07608	27.6
213.10254	4.0
214.10886	2.7
215.11864	1.6
218.44408	0.6
225.10233	7.6
226.07066	11.5
226.09106	0.8
233.05869	0.7
243.11273	5.0
261.12436	1.0
275.61978	1.2
283.62726	1.0
285.14081	0.7
289.11813	4.8
291.13992	4.0
291.63846	0.8
306.66217	2.4
307.05899	0.6
307.09784	0.9
307.12961	8.1
307.16217	1.0
308.38678	0.5
325.03815	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
54.03467	1.4
55.01874	3.4
55.05506	4.7
56.96556	2.1
57.03431	2.9
60.99422	1.0
61.32613	1.1
65.03943	1.4
67.05496	4.1
69.03426	6.2
69.07065	1.8
69.49376	9.3
70.02949	1.1
70.06580	4.2
71.05015	1.5
72.04499	1.2
73.02927	8.2
74.02441	3.1
76.02190	1.7
79.05471	6.1
80.05011	3.1
81.03417	6.9
81.07056	4.5
82.02934	3.4
82.06577	3.7
83.01339	9.5
83.08621	1.0
84.04514	2.3
84.08140	10.4
84.85175	1.0
85.02897	5.1
91.05479	10.1
93.07037	7.2
94.06561	4.1
95.04971	2.7
95.08605	2.5
96.04507	1.6
97.06528	2.0
98.06052	20.0
98.20753	2.1
98.97549	1.2
98.98492	1.3
99.04433	2.1
99.05575	2.6
100.03960	12.4
100.11243	2.4
101.02375	3.2
102.05542	4.6
103.05468	3.4
105.07027	5.9
106.06544	4.2
107.04958	4.7
107.08579	3.0
108.08105	2.3
109.06482	1.1
110.06035	4.3
113.07109	1.6
115.05448	19.9
116.98579	1.2
117.05756	2.1
117.07003	10.9
118.05053	1.9
118.06550	5.3
119.07346	1.3
119.08573	3.2
120.08095	14.1
121.06504	2.9
121.10140	2.1
122.06047	1.5
123.08081	1.6
123.77200	1.1
124.03986	1.3
128.06241	2.8
129.05531	1.2
129.07001	4.2
130.06522	4.0
131.04950	1.3
131.08560	2.1
132.08067	9.4
133.06497	1.3
133.10126	1.7
134.05992	2.3
134.09656	3.0
135.11665	1.6
136.07562	3.0
138.05490	4.0
141.07028	2.2
142.06525	1.6
143.07307	23.3
143.08438	1.1
144.08080	96.6
145.06435	3.9
145.10129	2.7
146.04482	40.5
146.05972	4.4
146.09654	3.0
153.07007	1.1
154.06500	2.5
156.08104	4.8
157.07643	1.4
157.08871	3.1
157.10176	1.5
158.06039	1.8
158.09695	3.0
160.07635	2.3
160.11220	3.6
161.05989	1.4
162.05434	1.7
162.09109	9.7
162.12752	7.6
163.03929	2.1
164.07053	10.4
167.07304	3.0
168.08090	3.5
170.09656	6.1
172.07605	1.5
172.11118	1.2
175.07512	1.0
178.05025	7.2
180.08032	2.1
181.03485	3.6
182.08220	1.9
182.09694	2.9
184.07530	1.6
186.09143	1.9
191.08150	6.4
192.06561	6.8
198.09166	1.8
200.07100	2.5
200.10695	1.5
202.08676	3.1
206.18578	1.1
208.06018	5.4
210.07573	9.8
210.09233	1.3
211.04509	1.6
214.08524	2.5
216.10211	1.5
226.08777	2.1
227.17525	1.5
232.09665	2.4
243.11253	2.0
244.09688	29.7
254.08252	1.4
260.09152	1.4
262.14566	2.0
264.07941	2.3
271.10767	4.2
272.09195	23.8
277.11865	5.7
279.06476	1.3
289.11810	100.0
290.09988	2.5
291.13925	5.7
291.64136	1.9
292.07452	1.7
295.06729	1.7
306.66141	3.3
307.05722	2.8
307.09494	5.4
307.12869	31.1
307.16486	12.8
307.19315	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81606	0.7
52.49795	0.7
52.63298	0.7
57.10822	0.7
62.27718	0.7
64.70955	0.8
69.03423	1.2
69.87697	3.1
70.06589	1.8
75.94856	0.7
80.68639	0.7
81.03408	0.9
82.02940	0.8
82.06579	1.4
84.04520	0.9
84.08136	2.2
84.37333	0.7
86.09685	1.4
87.00831	2.9
91.05528	0.9
93.07037	0.8
94.06555	2.2
98.06055	1.0
104.05048	0.8
120.08089	0.7
121.10152	0.9
123.04411	1.1
130.06520	97.4
132.03448	1.3
132.04443	22.7
132.05397	1.6
146.05995	6.3
147.04466	0.9
152.07039	1.7
155.03436	2.2
157.07607	77.9
158.06007	100.0
159.06425	1.9
173.07089	4.9
175.08672	44.6
192.81401	0.9
197.07104	1.9
198.07561	0.9
199.08679	2.4
201.06584	4.6
203.08195	4.4
221.09180	3.7
243.07669	11.5
245.09178	2.3
247.07103	2.4
261.08701	39.4
266.02710	0.7
271.07098	2.1
289.08228	7.8
289.11270	1.3
307.09235	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	307.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.1
52.95488	1.1
53.03930	1.7
55.01862	2.8
55.05500	4.2
56.05052	1.6
57.03422	1.1
63.91430	1.1
65.03966	1.4
65.44253	1.1
67.05489	3.2
68.05020	4.5
69.03420	2.0
70.06604	5.9
71.16930	2.3
72.04520	2.2
73.02924	6.9
74.00639	1.0
74.02441	3.1
74.06068	1.2
79.05489	3.4
80.05011	4.4
80.23521	1.0
81.03419	3.1
82.02935	3.2
82.06564	6.5
83.01352	8.5
83.04971	2.1
84.04520	9.9
84.08144	11.1
85.02905	4.6
86.09725	2.5
91.05488	6.1
92.29209	1.0
93.07040	2.9
94.06544	3.0
95.04959	1.6
96.04488	4.6
98.06056	32.8
100.03994	9.7
101.02339	1.9
102.05541	5.0
103.05465	3.3
105.05791	1.2
105.07030	2.2
106.06564	5.6
107.04957	1.9
107.08523	1.1
108.08115	2.6
110.06040	3.9
111.04501	1.3
114.05525	7.9
115.05473	20.5
117.05743	3.2
117.07005	10.7
118.05021	3.0
118.06565	6.5
119.03378	1.3
120.08102	19.0
122.06054	2.2
123.04433	4.2
124.03976	2.1
128.03429	1.6
128.06198	1.2
129.07028	2.6
130.05005	4.2
130.06517	15.1
131.08636	1.3
132.04446	5.2
132.08102	8.6
133.02820	1.2
134.05988	1.8
134.09691	2.1
135.04443	2.0
136.07581	4.2
138.05511	3.3
138.07275	1.4
141.06998	1.6
142.04993	8.5
142.06499	1.6
143.06346	1.8
143.07329	22.9
144.08092	89.2
145.05064	1.2
145.06491	2.7
146.04480	32.4
146.06015	10.1
147.04445	2.8
148.07582	1.3
150.05502	1.6
150.96962	1.7
153.07037	2.8
154.06532	2.9
155.07271	2.2
156.08118	5.5
157.07614	14.6
157.08870	3.7
158.06023	13.9
160.07532	1.2
161.02299	1.2
162.05521	2.0
162.09135	8.4
163.03973	4.0
164.07059	15.3
167.07324	2.6
168.08101	3.5
170.06033	1.5
170.09639	5.7
175.08728	6.5
176.98560	1.2
178.04970	5.7
179.03442	4.9
180.06583	2.3
180.08018	2.3
182.08139	1.7
182.09708	2.7
184.98923	1.2
186.09143	1.4
188.07016	1.8
189.07481	1.4
192.06595	8.8
198.09193	2.7
199.08696	1.6
199.12309	1.4
200.06999	1.6
200.98474	1.8
202.08640	3.2
208.06020	4.6
210.07608	14.4
210.09435	1.5
213.10239	1.4
214.08646	2.9
216.10167	1.6
225.10304	1.7
226.06770	5.3
226.08965	2.3
228.97835	1.2
232.09744	2.6
237.00674	1.3
243.07695	1.8
243.11455	2.4
244.09750	23.8
244.54749	1.4
251.06860	1.4
260.09299	1.2
261.08679	5.3
261.12219	1.3
271.10828	3.0
272.09467	23.6
277.11774	4.6
289.11826	100.0
290.10266	3.6
307.12909	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12475	3.9
55.05492	4.4
57.07075	48.5
67.05493	7.2
67.52158	3.8
69.83273	4.0
69.93007	26.1
71.08619	24.3
79.05487	6.1
81.07018	6.2
85.10164	24.8
89.05482	5.8
89.06026	100.0
91.05459	5.5
93.07021	8.1
95.08582	8.2
107.07038	7.0
107.08577	5.4
109.10116	5.7
119.08574	9.1
127.01727	4.5
130.08601	5.1
133.06528	4.6
133.08557	13.0
137.05917	11.8
143.69969	4.0
151.09651	28.6
156.09348	4.7
262.32541	4.0
286.13260	4.9
305.21127	10.8
311.84122	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	306.206
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04749	0.5
67.12475	0.4
67.98966	0.4
69.07053	1.1
71.11360	0.7
75.05428	0.4
79.05490	0.9
81.07018	0.5
83.72168	0.5
91.05473	0.4
94.04158	1.9
94.52559	0.4
97.06511	0.6
105.07068	0.4
107.08609	0.5
109.10143	0.7
109.18094	0.4
114.09145	0.6
122.03632	6.3
133.10094	0.9
135.11705	1.0
137.05968	100.0
138.06352	0.4
153.12724	1.3
170.15376	2.3
182.15408	2.1
306.20618	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.1
55.05514	9.6
57.07075	7.1
67.05505	18.2
69.03421	4.1
69.07063	15.2
70.06586	2.7
70.65717	3.9
71.04963	1.8
71.08622	13.8
72.08128	1.3
79.05485	12.2
81.07050	20.8
83.04960	2.6
83.08617	2.1
85.06539	3.5
86.06072	1.8
86.09718	2.0
91.05476	10.2
93.07035	23.0
94.04163	1.1
95.04955	22.7
95.08043	2.1
95.08604	29.2
97.06528	8.3
97.10161	1.4
98.20869	1.6
99.08081	9.1
100.07632	1.7
105.07032	11.7
107.08582	12.3
109.06509	35.3
109.10155	10.3
110.06781	1.1
111.08065	3.1
112.11286	1.1
116.78947	1.1
117.07050	2.4
119.08567	11.3
121.06514	10.8
121.10135	5.2
123.08068	5.2
131.08565	6.8
133.10094	6.2
135.08022	7.0
135.11697	2.0
137.05971	29.0
137.09604	7.8
143.08565	1.3
145.09151	1.2
145.10123	6.7
147.11682	5.2
149.09605	3.4
149.13295	2.9
153.12717	2.0
154.12259	6.9
159.11697	4.3
161.13239	3.0
163.11172	5.6
163.14844	2.5
165.12747	100.0
166.13120	1.8
173.13266	8.3
175.11171	6.8
177.12773	5.6
179.14391	2.2
183.11714	2.0
184.13330	5.3
187.14799	2.1
191.14290	14.6
197.13240	1.5
201.12724	3.9
208.17033	3.1
215.14275	1.3
221.15434	2.4
228.82860	1.3
233.15361	2.1
243.21022	2.9
250.18085	4.2
253.19380	1.9
261.03201	1.3
261.22202	8.5
271.20477	6.9
280.62793	1.2
288.23389	1.3
289.21600	77.1
290.21915	3.0
306.24258	55.6
307.24594	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.4
53.03943	0.9
55.01873	0.3
55.05503	0.6
56.96570	0.4
65.03921	0.5
67.05489	0.8
69.03414	0.3
70.04731	0.3
70.75587	0.6
73.80342	0.4
77.03912	0.5
79.05488	0.8
80.05017	0.4
81.07059	1.3
84.08120	0.3
86.09715	0.3
91.05470	3.6
93.05787	0.8
93.07048	2.8
94.06586	0.5
95.04961	2.5
96.04502	2.2
96.08131	1.2
97.06509	0.4
98.97565	1.2
105.04489	0.3
108.04465	0.4
108.08099	1.7
109.10194	0.4
116.98608	0.9
120.08080	0.5
121.02843	0.4
122.06007	2.6
123.04427	0.6
124.07594	9.9
126.05509	1.7
136.07576	100.0
137.07919	1.0
138.09097	0.5
139.02870	0.4
140.07062	1.1
149.02379	0.8
150.05547	0.6
152.07065	19.7
153.01862	1.7
158.99591	0.4
164.07066	72.0
165.07385	0.6
167.02272	0.4
170.08160	5.0
176.14346	0.6
182.08128	15.2
183.08469	0.3
192.06551	0.7
199.70766	0.3
210.07614	1.0
222.07649	0.6
231.06465	0.5
244.07793	0.3
248.32986	0.3
259.05896	0.7
287.05133	0.4
287.13913	2.9
305.05502	8.2
305.11255	0.8
305.14960	1.6
305.17941	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17246	0.3
52.12981	0.3
53.03939	0.8
67.05504	0.8
70.84567	1.1
72.00252	0.3
77.03936	0.4
79.05482	1.0
80.05024	0.3
81.07056	1.6
84.65678	0.4
91.05484	3.3
93.05804	0.7
93.07045	2.5
94.06573	0.7
95.04974	2.0
95.08629	0.6
96.08127	0.6
98.97578	0.9
107.08583	0.4
108.04488	0.5
108.08105	1.8
113.41051	0.4
116.98608	0.6
122.06027	3.5
124.07584	8.6
126.05524	1.1
136.07571	100.0
137.07907	0.8
138.09138	0.7
140.07039	1.3
149.09528	0.4
150.05469	0.8
152.07062	18.3
158.99689	0.5
159.06761	0.6
164.07062	72.7
165.07416	0.7
166.08723	0.5
170.08096	3.9
177.00775	0.5
182.08124	15.7
183.08525	0.4
244.13318	0.4
245.12827	0.8
246.03358	0.4
287.13901	5.1
305.05569	2.1
305.15012	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74137	0.4
53.03945	1.8
55.05501	1.2
56.96558	4.0
63.35233	0.5
67.05499	1.6
69.03423	0.9
69.07045	1.0
70.85261	0.9
79.05486	1.6
81.03400	1.2
81.05807	0.6
81.07046	2.4
81.69718	0.5
84.08135	1.7
84.96037	0.5
85.02903	0.5
86.09695	0.7
91.05473	4.4
93.07033	4.4
94.06571	1.1
95.04967	1.9
95.08604	1.4
96.08123	1.2
97.02876	0.8
97.06532	0.7
98.97584	4.2
105.07005	1.1
108.08115	1.7
109.10146	0.5
112.99145	0.9
116.98612	4.7
119.08534	0.6
121.06551	0.5
121.10159	0.9
122.06057	3.4
124.06694	0.8
124.07587	12.1
126.05495	1.7
128.98613	1.9
130.06554	0.7
131.00157	2.0
131.04926	0.5
131.08539	0.7
133.10081	0.4
134.99669	2.8
136.07571	100.0
137.02281	0.5
137.07916	0.9
138.09100	1.9
140.07062	1.8
143.00134	0.8
143.12595	0.5
145.10066	0.9
146.05940	0.4
146.99643	2.0
147.11635	0.4
149.01205	3.7
149.60121	0.4
150.05504	0.7
152.07062	18.1
153.01849	0.7
157.27565	0.4
158.05997	1.0
158.99625	0.8
160.39606	0.4
161.01167	2.2
162.05487	0.6
164.07062	73.8
165.07375	0.9
167.02263	0.5
170.08122	3.7
173.01273	1.5
176.14339	1.1
177.00676	1.7
182.08116	15.3
185.01254	1.1
191.02217	1.6
202.98622	0.7
203.02264	2.6
208.03735	0.7
221.03166	1.0
245.00183	0.5
245.03149	0.8
245.12892	0.8
259.14346	1.3
287.13861	5.8
305.05383	4.2
305.08011	0.5
305.14746	1.5
305.17923	0.8
305.21759	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71479	0.8
51.90931	0.8
53.03935	1.1
55.01862	0.9
55.05494	0.8
56.05019	1.0
56.96561	3.0
68.05026	2.4
69.03428	2.3
70.06604	2.6
70.91167	1.3
70.91479	0.8
72.08141	0.8
72.54716	0.7
79.05504	1.6
80.05006	2.0
81.03436	1.4
81.07073	1.0
82.06575	2.2
84.04469	1.3
84.08143	3.6
84.54218	0.7
85.02885	1.4
85.06521	1.4
85.39994	0.7
86.09709	1.7
91.05490	2.1
93.07045	3.2
93.68582	0.9
94.06583	2.4
95.04951	1.9
96.04491	100.0
96.93475	0.8
97.02917	1.2
97.04819	0.8
98.97577	2.5
101.21653	0.7
103.05482	2.3
108.08140	2.8
110.06012	0.9
116.98610	1.6
117.05737	2.0
118.06533	5.0
119.07287	0.8
120.08105	33.6
122.06062	2.3
123.04433	1.1
124.07619	1.1
130.06570	0.9
132.04465	0.9
132.08102	9.7
134.99675	1.5
136.07603	6.3
137.05956	1.1
138.05484	2.7
143.10727	1.3
146.04553	2.2
146.06010	9.2
147.06747	0.9
148.07602	2.6
149.01216	1.8
149.02336	1.4
152.07057	1.8
153.01828	1.3
158.05984	1.1
159.06841	1.0
160.07587	15.6
163.03903	1.6
164.05676	1.6
164.07065	33.5
168.08005	0.8
176.07106	1.0
180.06561	1.0
182.08194	1.0
186.09132	0.9
191.02255	1.3
192.06555	31.6
193.06967	1.5
194.08182	4.0
210.07611	52.6
214.08612	1.2
222.07603	35.2
224.09494	1.4
241.09811	1.5
242.08145	2.3
259.06107	1.5
260.09088	4.4
269.09314	1.3
287.10284	3.1
288.08621	6.8
305.05975	1.1
305.11383	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	305.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75399	0.7
53.95625	0.7
56.05040	1.0
56.96566	5.3
62.98258	1.2
63.87354	0.7
68.05011	0.9
69.03429	1.9
70.06601	3.0
70.99872	0.9
71.06921	0.9
71.59103	1.4
77.00887	1.3
78.95631	1.0
79.26542	0.7
80.05082	0.7
81.03441	1.8
82.06568	2.2
84.08147	4.4
85.02907	2.2
86.06079	1.8
86.09723	0.7
89.25599	0.7
95.01956	0.7
96.04491	9.3
97.02915	0.8
98.97598	3.1
99.04499	0.9
102.05540	1.2
110.19099	0.8
114.05531	3.2
115.05865	1.5
116.98633	2.9
119.01931	2.0
120.08107	3.2
129.10254	1.0
130.04982	0.7
131.01877	1.2
131.05554	3.6
132.08427	1.3
134.99667	1.8
141.10252	0.9
142.10632	0.9
142.96567	0.9
143.01932	0.7
143.08170	2.2
145.03482	1.1
146.99675	1.2
160.07619	1.7
161.02922	1.4
161.06564	4.4
164.07083	2.4
169.03474	0.8
169.48326	0.8
173.02931	1.1
176.71461	0.8
177.00836	0.8
185.02960	0.8
185.09233	3.1
186.09544	6.8
188.97055	1.0
190.98660	1.8
192.06607	3.1
203.04094	1.6
203.07674	3.0
206.98116	1.1
210.07629	3.9
215.07607	4.8
217.09299	1.2
221.05074	1.6
222.07643	2.0
223.01291	0.9
230.98145	1.3
245.05034	1.4
281.01816	1.1
287.14322	5.3
305.12054	100.0
306.12216	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75399	0.7
53.95625	0.7
56.05040	1.0
56.96566	5.3
62.98258	1.2
63.87354	0.7
68.05011	0.9
69.03429	1.9
70.06601	3.0
70.99872	0.9
71.06921	0.9
71.59103	1.4
77.00887	1.3
78.95631	1.0
79.26542	0.7
80.05082	0.7
81.03441	1.8
82.06568	2.2
84.08147	4.4
85.02907	2.2
86.06079	1.8
86.09723	0.7
89.25599	0.7
95.01956	0.7
96.04491	9.3
97.02915	0.8
98.97598	3.1
99.04499	0.9
102.05540	1.2
110.19099	0.8
114.05531	3.2
115.05865	1.5
116.98633	2.9
119.01931	2.0
120.08107	3.2
129.10254	1.0
130.04982	0.7
131.01877	1.2
131.05554	3.6
132.08427	1.3
134.99667	1.8
141.10252	0.9
142.10632	0.9
142.96567	0.9
143.01932	0.7
143.08170	2.2
145.03482	1.1
146.99675	1.2
160.07619	1.7
161.02922	1.4
161.06564	4.4
164.07083	2.4
169.03474	0.8
169.48326	0.8
173.02931	1.1
176.71461	0.8
177.00836	0.8
185.02960	0.8
185.09233	3.1
186.09544	6.8
188.97055	1.0
190.98660	1.8
192.06607	3.1
203.04094	1.6
203.07674	3.0
206.98116	1.1
210.07629	3.9
215.07607	4.8
217.09299	1.2
221.05074	1.6
222.07643	2.0
223.01291	0.9
230.98145	1.3
245.05034	1.4
281.01816	1.1
287.14322	5.3
305.12054	100.0
306.12216	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1657
Annotation	H-Trp-Val-OH
Peak:m/z	Relative Intensity
52.10647	0.6
53.03939	1.0
55.01869	1.2
55.05509	14.7
56.05029	1.8
56.96562	2.8
57.05808	1.2
67.05505	1.2
68.99779	0.7
69.03426	1.2
69.07076	0.6
70.06596	3.5
70.99138	1.5
72.08152	100.0
73.08485	0.8
79.05483	1.1
81.03409	1.1
81.07041	1.2
84.04512	0.9
84.08158	2.2
84.95974	0.6
85.02921	1.8
85.06559	0.6
86.06073	0.6
86.09702	2.6
86.87895	0.7
91.05460	3.2
92.59377	0.5
94.04879	0.6
95.04974	1.3
95.08611	0.8
97.02880	1.8
97.06542	0.8
98.06040	1.4
98.97580	1.4
99.09206	1.5
105.06987	0.6
110.07187	1.9
114.05531	0.7
115.05460	1.7
116.07099	2.1
116.98632	2.3
117.05775	1.7
117.07025	1.8
118.06533	5.5
120.08093	3.2
122.05985	0.9
123.04473	1.2
124.07600	0.8
127.03902	0.7
127.08694	3.3
130.06526	7.3
132.08080	17.5
134.99660	1.0
137.06010	0.7
139.03941	1.3
142.06502	3.2
143.07272	0.6
144.08072	18.1
146.06001	33.5
146.99678	0.8
147.04413	0.8
147.08090	0.6
148.07635	0.7
149.02362	0.9
151.03897	0.8
153.01865	2.0
158.06126	0.9
158.08331	0.7
158.99643	0.9
159.09174	28.9
160.07578	2.3
167.07137	1.2
168.13936	0.8
170.05991	7.0
177.00752	0.9
179.03410	5.3
185.09264	1.5
187.08781	0.7
188.07057	67.2
189.07405	0.8
205.09708	45.7
207.02885	3.3
208.03650	1.2
209.04460	4.8
234.07863	0.7
234.16013	0.6
237.02876	1.3
244.66270	0.7
259.14502	1.5
268.11557	1.0
277.63150	0.8
286.12875	2.5
287.13913	11.0
304.05350	5.0
304.16595	8.0
304.19797	1.1
305.10159	9.3
307.88391	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01860	1.2
55.05511	1.2
56.96553	4.8
59.49826	1.1
65.03917	2.4
66.73290	1.0
67.05508	1.3
68.05015	3.6
68.99783	1.3
69.03418	2.2
70.06573	5.8
70.06898	3.3
71.04990	1.8
72.08118	1.4
76.89454	1.3
79.05460	1.8
80.05006	1.6
81.03419	3.1
81.07038	1.8
82.02947	1.5
82.06565	3.0
83.04983	1.5
84.04496	2.7
84.08128	5.2
85.02884	2.8
86.09691	2.5
91.05470	3.1
92.80521	1.1
93.07026	3.3
94.06557	2.8
95.04938	2.2
96.04486	100.0
97.02898	2.3
98.97592	2.3
102.05569	1.2
103.05456	3.6
106.06540	1.3
107.08589	1.7
108.08092	1.9
110.06030	1.7
110.07112	1.1
113.07110	1.3
116.98612	4.4
117.05731	1.8
118.06520	3.8
119.04932	1.4
119.07310	1.7
120.08099	35.0
121.02834	2.5
121.08398	1.0
122.06015	5.0
123.04411	9.3
125.09567	2.0
126.05506	1.2
127.03899	3.1
129.10298	1.1
131.00148	1.2
132.08080	10.3
134.99663	1.1
135.04402	1.6
136.07596	6.3
137.05975	1.8
138.05510	1.9
138.09108	1.5
139.03841	2.4
144.08051	1.3
146.04495	2.2
146.05986	9.8
147.04391	2.2
147.06737	1.0
148.07582	3.0
149.01347	1.4
149.02339	8.5
150.05473	2.4
152.07005	2.5
153.01811	13.1
157.06433	1.4
158.05998	2.5
160.07579	15.8
161.01260	1.5
163.03885	2.4
164.07059	31.6
167.03395	1.9
170.09578	1.3
171.02879	2.2
176.06978	1.1
177.00696	1.3
178.04973	1.6
185.05980	1.3
186.09177	1.8
192.06554	33.3
192.08328	1.7
194.08171	3.1
195.02859	2.3
198.09187	1.7
203.03369	1.3
210.07600	49.0
213.05571	1.6
214.08524	1.4
215.72504	1.1
222.07622	29.9
223.08501	1.1
231.06487	7.2
242.08223	2.8
245.04935	2.0
259.06082	8.1
260.09146	4.2
269.09143	3.0
282.19016	1.3
287.05591	2.0
287.10178	3.3
287.13962	2.6
288.08612	7.1
305.06161	1.4
305.11395	24.8
305.14923	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	304.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.6
56.05032	15.9
56.96558	4.9
57.03433	3.0
58.06605	11.6
60.04521	6.8
68.05031	5.6
69.03429	3.4
69.07061	10.1
69.86686	13.7
70.06583	25.4
72.04513	5.0
72.08150	10.0
73.07684	3.3
74.02442	5.5
74.06069	13.7
75.05589	4.9
75.78423	2.2
80.05023	4.9
81.03410	7.3
81.07034	2.8
82.02946	2.9
82.06586	16.8
83.01313	2.8
83.04983	9.8
83.06100	4.9
84.04494	35.8
84.08158	13.4
85.02888	6.9
85.07664	3.3
86.06069	9.5
86.09700	100.0
88.03992	8.3
94.06542	3.0
95.04963	2.7
96.04493	6.3
96.08130	4.2
97.07643	3.7
98.06048	23.1
98.97577	8.0
99.04440	6.1
99.05566	3.8
99.09188	5.6
100.03948	4.3
100.07623	8.3
102.05515	8.3
110.06039	7.0
110.07158	7.5
111.07536	3.3
111.09261	3.0
112.07611	4.9
114.05514	32.3
115.08693	4.4
116.07064	15.9
116.98621	5.1
118.05064	3.5
120.06591	4.2
123.04518	2.5
124.07538	12.7
126.05505	3.2
129.10266	3.9
130.05000	14.5
130.06496	3.3
134.99660	4.1
136.07613	3.0
139.08669	2.9
140.07089	7.1
141.10222	5.9
142.08662	24.7
142.09686	3.9
143.11774	28.2
144.06558	6.5
145.06091	6.0
145.09724	5.9
146.04456	5.6
146.06006	2.4
146.99738	2.9
147.07655	3.5
147.14178	2.5
149.02274	2.6
153.01781	2.7
157.09714	6.0
157.13354	24.3
158.06023	7.2
158.08127	39.4
158.99707	2.8
159.11299	10.2
161.03107	2.9
161.09198	3.8
163.03906	7.0
163.07178	4.2
164.07095	3.1
171.11327	5.6
173.09174	5.5
175.10707	4.4
175.12079	2.9
176.39384	2.5
179.27260	2.8
185.09193	56.5
185.12866	9.9
186.07509	2.9
203.10294	3.3
215.13948	2.4
237.02809	5.2
240.13304	3.2
268.12405	2.8
273.39789	2.5
286.13986	39.3
286.17401	4.1
294.84647	2.6
301.62878	3.1
304.15308	9.0
305.11606	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	304.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
56.05012	2.1
58.06592	2.1
58.43758	1.4
60.08158	15.6
69.07060	3.2
69.67895	1.6
70.06577	1.9
71.04079	1.7
71.04390	2.6
72.04526	6.7
72.08141	2.0
74.02433	27.2
74.06080	15.2
74.09704	5.1
75.03208	4.9
82.02932	5.1
82.06573	2.2
84.04497	6.3
84.04967	1.2
84.08138	6.0
85.06558	1.5
85.68738	1.4
86.09704	17.0
88.04010	3.2
88.07633	2.2
96.04512	2.8
99.05559	4.2
100.03992	7.2
100.07597	1.6
102.05531	30.2
114.05534	2.2
118.05007	35.9
125.10739	2.7
130.08629	100.0
131.09418	6.1
138.05470	8.3
141.10146	2.5
142.08653	2.5
142.12282	3.0
144.10178	24.8
145.06111	1.8
146.04475	30.1
153.01791	2.8
155.08180	2.0
159.11290	6.4
168.10149	1.7
173.05635	3.1
173.40092	1.6
176.07948	6.3
185.09235	4.8
191.06635	3.6
201.08641	1.8
202.07130	2.1
203.10155	2.8
208.06892	19.4
218.12526	2.4
219.09659	12.6
223.14297	1.4
236.10002	13.5
240.13483	3.3
250.11583	3.7
304.05310	3.6
304.15009	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	303.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
55.05517	1.4
56.05024	0.8
56.96552	1.4
57.07063	0.8
57.85947	0.7
65.22241	0.8
66.00253	0.7
67.05484	1.1
69.03424	1.6
69.07037	0.6
70.06580	1.9
70.74705	0.9
70.75034	1.7
72.08147	6.6
77.13764	0.7
77.63225	0.6
77.96025	0.6
79.05452	0.9
81.03407	1.3
81.07027	0.9
84.04517	0.9
84.08120	2.0
85.02895	2.2
86.09700	5.6
87.10033	2.5
91.05460	1.2
97.02872	0.9
102.05580	0.8
110.07149	1.8
115.02147	4.5
116.98595	1.1
122.06060	0.8
123.04468	1.1
125.09650	0.8
128.98596	0.7
129.10191	1.5
137.02345	2.0
142.33936	0.7
146.99583	0.8
147.04359	0.9
153.01799	1.2
156.08046	0.8
165.01918	0.9
167.07210	1.3
182.09610	1.8
187.04115	0.9
201.05371	1.3
201.09634	0.9
204.06914	2.2
213.09750	1.3
221.05077	1.0
229.04973	2.0
237.02794	0.8
257.04382	1.3
285.04010	0.8
303.04977	12.3
303.14127	100.0
304.05215	1.2
304.14383	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2315
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
53.03940	2.9
55.05507	18.9
56.96564	6.9
57.03438	3.2
57.06281	1.3
57.07062	1.6
57.20732	1.3
59.04987	1.5
65.03936	1.5
66.92304	1.3
67.05497	21.1
68.99756	1.4
69.03437	7.7
69.07062	20.6
69.67619	7.3
71.04975	3.9
79.05483	17.2
81.03414	1.8
81.07052	45.1
83.04955	4.3
83.08614	5.2
84.96026	1.6
85.06528	2.3
91.05472	20.0
93.07039	36.0
95.04984	8.9
95.08598	40.5
95.75558	1.2
97.06508	9.3
97.10161	9.4
98.21417	2.8
98.97576	11.3
99.08073	3.1
103.05461	2.4
105.07025	47.9
107.04906	2.7
107.08579	40.0
109.06499	10.9
109.09460	2.0
109.10147	27.1
111.08072	4.6
113.09663	1.8
114.82140	1.4
115.05376	1.9
116.98583	8.5
117.07018	7.5
119.08571	40.2
121.06496	11.7
121.10128	23.7
123.04401	1.5
123.08042	5.5
123.11705	10.8
124.93833	1.9
125.09616	7.1
127.11189	3.3
128.06163	1.5
128.98555	1.6
129.07008	2.1
130.06371	1.3
131.00108	2.4
131.08525	11.4
133.06465	1.6
133.09209	2.4
133.10118	22.7
134.99663	4.3
135.07089	2.3
135.08052	30.9
135.11690	14.3
137.02306	3.8
137.05956	1.9
137.09595	5.6
137.13223	3.0
139.11160	1.8
143.08548	5.9
144.09364	1.7
145.02849	1.8
145.10103	20.2
146.99561	1.5
147.04417	2.0
147.08037	2.6
147.11676	30.3
149.01254	2.6
149.05983	1.7
149.09615	5.8
149.13284	7.2
151.07504	2.7
151.11159	2.3
153.01828	7.5
153.06989	2.0
154.23624	1.4
155.08545	2.4
157.10188	9.3
159.11690	19.4
161.01183	2.1
161.09647	11.5
161.13220	17.9
162.05519	2.1
163.11195	6.9
163.14819	3.6
165.06987	2.4
165.12791	1.4
169.10104	5.7
171.11627	6.5
173.01176	1.6
173.09595	4.4
173.13281	9.2
175.11128	8.9
175.14796	11.1
177.00677	4.1
177.05415	2.7
177.09148	1.3
177.12743	4.7
177.16304	1.6
179.10710	1.8
182.10776	1.6
183.08041	2.1
183.11674	3.0
185.13222	3.9
187.14793	5.7
189.12709	2.7
189.16359	6.6
191.02159	2.3
193.15808	2.1
197.13214	4.3
198.09119	3.0
199.14801	8.3
201.05428	3.3
201.16315	5.9
203.14201	1.9
205.15852	3.3
211.07463	1.3
211.14793	8.0
213.16359	4.9
215.11938	1.9
215.14285	2.2
215.17781	2.3
217.15863	10.7
219.01779	2.5
221.15356	1.9
225.16391	3.4
226.05893	1.6
227.17926	6.3
229.04875	4.0
229.15868	5.8
229.19586	2.3
230.11728	1.8
237.02782	2.8
241.19542	1.7
243.11372	11.0
245.19028	3.3
247.16850	1.8
257.04431	1.4
257.12683	1.5
257.22583	3.7
258.11255	12.6
267.21033	10.3
271.09528	1.9
275.23645	1.9
285.12344	13.0
285.22076	26.3
303.04990	47.0
303.08371	1.8
303.23145	100.0
304.05368	3.1
321.12097	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	303.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61889	0.5
53.03901	1.0
55.01818	0.8
55.05450	3.0
56.10823	0.5
56.96522	0.9
57.07022	0.5
59.75705	0.5
65.03877	1.9
67.01823	0.6
67.05437	6.2
68.99741	1.1
69.03362	1.4
69.07059	3.9
71.04934	1.3
71.59285	0.9
79.05490	3.5
81.03336	1.8
81.07050	8.5
82.02865	0.5
83.04916	1.9
83.08541	1.5
85.02792	0.6
87.04437	0.6
91.05484	5.3
92.04920	1.4
93.03364	0.5
93.07036	8.1
94.06492	2.0
95.04968	2.7
95.08603	6.9
97.06461	1.5
97.10105	0.8
98.97527	0.8
99.08047	0.6
103.05418	0.6
105.07018	8.7
107.04921	0.5
107.08584	8.1
108.08061	1.3
109.02802	1.3
109.05201	0.5
109.06425	1.8
109.10151	5.7
111.00739	0.8
111.04404	0.7
111.08026	1.1
115.05392	0.5
116.98563	0.7
117.06973	0.9
119.08572	8.9
120.04404	1.3
120.08035	0.6
121.02828	1.1
121.06489	3.3
121.10141	5.2
122.06020	4.7
123.04331	1.4
123.07990	1.7
123.11708	3.4
124.07546	1.4
125.09599	1.2
128.06161	1.1
129.06940	1.0
130.06476	0.6
131.08484	2.1
133.10124	4.1
134.05933	0.6
134.99571	0.6
135.04381	0.5
135.08034	4.5
135.11665	3.8
136.07552	4.4
137.02318	4.2
137.05876	2.1
137.09569	1.1
137.13171	0.8
138.05424	1.4
138.09114	4.0
141.06914	0.5
142.07710	0.9
143.08488	2.1
144.08006	0.9
145.06422	1.4
145.10095	5.2
146.05988	0.9
146.09552	0.6
147.01457	0.6
147.11696	4.2
149.05962	0.8
149.07341	0.6
149.09558	0.8
149.13194	1.1
151.07396	0.9
151.11186	0.6
153.00790	0.5
153.01808	4.4
153.06836	0.6
154.06454	0.6
155.04857	0.6
155.07236	0.8
155.08470	1.5
156.08018	1.1
156.09258	0.7
157.08817	0.9
157.10043	2.3
159.10493	0.6
159.11681	3.7
160.07520	1.2
160.09959	0.7
161.05901	0.6
161.09518	2.1
161.13258	2.5
162.05472	0.6
163.11047	0.6
163.14778	0.8
164.07045	5.4
165.01768	1.9
165.06897	0.6
166.04935	2.7
167.07045	0.6
168.05771	0.6
169.08821	1.4
169.10086	1.3
170.09666	2.3
171.09085	0.6
171.10339	0.8
171.11630	0.9
172.07507	1.4
172.09918	1.2
172.11227	1.3
173.07047	1.9
173.09508	1.2
173.13171	1.7
174.09094	1.2
175.08591	0.8
175.11150	1.5
175.14764	1.2
177.12704	0.7
182.08047	1.5
183.02740	0.5
183.04280	0.5
183.06670	0.7
183.11679	0.7
184.07500	0.8
184.11203	1.1
185.07045	0.9
185.10728	0.6
186.09077	0.8
186.11375	1.6
186.12784	1.0
187.08606	1.3
187.12363	2.8
187.14713	1.0
188.10617	1.1
189.10159	1.8
193.15909	0.6
197.08279	0.7
198.09120	9.6
199.08640	1.3
199.14793	1.6
200.09302	2.7
201.05388	1.6
201.10129	1.9
201.12457	0.5
201.13911	7.2
201.16345	0.8
202.12262	1.0
203.17952	0.7
205.04765	0.6
205.15813	0.6
211.07430	0.7
211.14798	0.9
212.10699	6.0
213.06523	1.1
213.10182	1.4
214.10728	1.5
214.12230	2.6
215.11812	7.1
215.17941	0.5
216.10236	0.7
217.15782	1.0
226.08702	2.3
227.08118	1.8
227.11656	0.8
228.08875	2.4
229.04961	3.5
229.10019	2.6
229.13341	35.0
229.19438	1.0
230.11696	1.6
230.13690	0.9
239.11812	1.1
240.10156	2.1
241.09694	1.5
241.13414	0.7
242.10263	2.9
243.11281	28.7
247.06213	0.5
255.11279	1.5
256.11844	0.6
257.04446	2.1
257.12827	100.0
258.10995	6.0
258.13293	2.1
259.14410	4.3
267.21072	1.0
268.09741	0.7
271.09769	0.6
275.13806	1.5
285.12317	37.7
285.22113	3.4
286.10355	0.7
286.13049	0.9
303.04990	37.0
303.13348	27.6
303.23166	11.8
304.05322	2.7
304.11581	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	303.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81106	0.7
55.05510	0.9
56.05025	0.8
56.96564	3.5
57.05814	0.7
61.88562	0.7
61.92029	0.7
64.58336	0.9
67.05506	0.7
69.03431	1.1
69.07059	1.6
70.06593	3.3
71.58160	1.5
72.08151	1.9
73.02915	1.0
74.02435	1.1
81.03423	1.3
82.06566	0.8
83.04943	0.9
83.06112	2.2
84.04500	1.8
84.08149	4.6
85.02921	0.9
85.04049	0.7
86.09702	5.4
91.63128	0.8
93.04556	0.8
95.04983	1.0
95.08587	0.9
96.04494	0.7
97.02917	1.0
98.97617	1.6
109.02879	0.8
110.02444	0.8
110.06043	1.0
110.07159	8.5
116.07118	1.5
116.98613	1.1
119.01920	3.9
120.08109	0.8
124.44258	0.7
127.05049	1.5
130.05029	1.0
131.01909	3.4
134.99687	1.0
141.05234	10.2
143.11783	1.3
145.03429	1.1
146.99651	0.9
153.01831	0.9
155.04672	1.1
156.07741	0.8
159.04996	1.0
161.02969	0.8
163.03925	0.8
172.07211	0.8
173.02992	1.9
177.06151	2.8
183.11395	1.2
185.04207	4.6
200.13969	1.6
201.06088	8.8
201.12366	0.8
203.05281	2.9
207.37625	0.9
213.06158	2.9
219.07196	2.6
221.05081	1.4
223.10858	0.8
231.07118	2.1
237.02893	1.9
240.13506	2.0
243.07227	2.3
277.53574	0.8
303.04968	7.8
303.10535	100.0
304.10828	1.5
304.92224	0.9
321.10501	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.2
55.01871	0.5
55.05491	0.3
56.96550	0.5
57.02367	0.2
65.03925	0.7
67.01854	0.3
67.05486	0.7
68.99783	2.1
69.03426	0.8
69.07058	0.4
69.58488	1.3
70.06582	0.7
71.05015	0.4
73.52859	0.1
79.05489	0.6
81.03401	1.1
81.07037	0.6
83.04985	0.3
83.08620	0.2
84.04530	0.3
84.08151	0.4
85.02894	0.5
86.09698	2.1
87.10031	1.1
91.05482	0.6
93.03403	0.7
93.07024	0.5
95.04961	1.3
95.08594	0.5
97.02876	0.5
97.63236	0.2
98.97579	0.4
103.05468	0.4
105.03391	0.4
105.07025	0.9
107.04942	0.8
107.08588	0.3
109.02870	1.1
109.06487	0.2
109.10139	0.2
110.07132	0.2
111.00793	1.7
111.04457	0.2
115.05460	0.4
116.98594	0.5
117.07003	0.7
119.04919	0.3
119.08575	0.4
121.02872	2.3
121.10115	0.3
122.05993	0.2
123.04424	4.6
125.05979	0.2
127.03937	1.5
128.06207	0.3
129.07019	0.3
129.10208	0.2
131.04930	0.7
131.08560	0.2
132.10214	0.3
133.02820	0.3
133.06456	0.3
133.10168	0.2
134.99614	0.3
135.04425	0.7
135.08047	0.3
135.11679	0.2
136.07602	0.3
137.02338	9.7
137.03378	0.5
137.05980	0.7
143.11786	0.5
145.02789	0.3
145.06482	0.9
145.10168	0.3
147.04463	0.2
149.02335	1.1
149.05937	0.2
150.96950	0.2
151.03943	0.2
153.01819	10.2
155.04900	1.1
157.06503	0.3
157.10150	0.4
159.04451	0.4
161.06021	1.0
163.03914	1.8
165.00533	0.3
165.01839	4.3
166.02637	0.6
171.02914	0.5
172.11617	0.2
173.06003	1.7
177.00661	0.2
177.05437	0.9
179.03381	0.4
181.04967	0.3
183.02885	1.8
183.04424	1.0
183.08408	0.2
185.06059	0.2
187.03908	1.1
191.03514	0.4
193.05075	0.2
195.02873	0.5
199.03960	0.2
201.05453	4.3
205.05022	0.5
211.03886	0.4
211.07440	0.4
213.05557	0.6
219.03069	0.3
219.06523	0.6
228.04121	0.8
229.04944	10.0
230.05362	0.4
234.98982	0.5
237.02751	0.3
239.03389	0.5
243.11392	0.4
245.04485	0.4
247.06067	1.4
257.04449	5.3
258.04993	0.2
270.05212	0.3
274.04636	1.5
275.05530	0.5
285.03925	2.4
285.12192	1.0
288.06262	0.9
303.04980	100.0
304.05350	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03928	0.1
55.01862	0.3
65.03925	0.4
67.01848	0.3
67.05496	0.4
68.99437	0.1
68.99788	1.8
69.03414	0.3
69.68640	0.5
69.69053	0.2
81.03400	0.5
81.07033	0.3
88.03866	0.1
91.05464	0.2
93.03386	0.5
93.07034	0.2
95.04968	0.7
97.02863	0.1
105.03376	0.2
105.07023	0.2
107.04938	0.2
107.08575	0.1
109.02875	0.9
111.00799	1.7
115.05435	0.2
117.07037	0.2
121.02876	1.7
123.04430	0.6
127.03943	0.5
129.06937	0.1
131.04913	0.4
133.06479	0.1
135.04424	0.5
135.07974	0.1
137.02330	6.8
137.03349	0.3
137.05925	0.2
145.02791	0.2
145.06500	0.6
147.11682	0.1
149.02335	0.9
153.01816	8.0
155.04933	0.8
157.06488	0.1
159.04369	0.2
161.05925	0.6
163.03894	0.9
165.01820	3.5
166.02644	0.5
167.03288	0.1
171.02809	0.2
173.02328	0.1
173.05991	1.2
174.91298	0.1
177.01869	0.2
177.05423	0.2
179.03413	0.2
183.02873	1.4
183.04424	0.8
187.03917	0.7
191.03392	0.2
193.05019	0.1
195.02844	0.5
201.05457	3.8
205.04938	0.4
207.02855	0.2
211.03922	0.3
213.05473	0.2
215.03358	0.2
217.05028	0.1
219.02942	0.3
219.06490	0.5
228.04189	0.6
229.04953	8.0
230.05304	0.3
239.03429	0.4
245.04523	0.3
247.05984	1.3
257.04422	4.7
274.04718	1.3
275.05380	0.3
285.03925	2.2
286.04437	0.2
303.04968	100.0
304.05289	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	303.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.2
55.01868	0.2
65.03941	0.4
67.01863	0.3
67.05494	0.3
68.99789	2.0
69.03409	0.2
71.04996	0.3
71.05339	0.3
81.03400	0.7
93.03404	0.6
95.04970	0.6
98.00438	0.2
102.16927	0.2
105.03407	0.3
107.04930	0.3
109.02881	1.1
111.00799	1.8
111.04437	0.3
115.05463	0.3
117.07003	0.2
121.02865	1.8
123.04431	0.6
127.03906	0.6
129.06970	0.3
131.04890	0.4
133.06491	0.2
135.04399	0.6
137.02330	6.7
137.03365	0.4
145.06490	0.7
149.02301	0.8
152.25735	0.2
153.01816	9.2
155.04875	1.0
159.04427	0.3
161.05971	0.5
163.03886	1.1
165.01831	3.4
166.02597	0.6
173.05966	1.1
177.05421	0.2
179.03400	0.4
183.02875	1.4
183.04419	0.8
185.05891	0.2
187.03883	1.0
189.05565	0.2
191.03539	0.3
195.02847	0.3
201.05453	3.9
205.04951	0.3
207.02899	0.3
211.03807	0.3
213.05501	0.2
215.03453	0.2
219.02879	0.3
219.06602	0.4
228.04169	0.8
229.04932	8.2
230.05376	0.2
239.03476	0.4
245.04515	0.2
247.06012	1.3
257.04446	5.4
268.52307	0.2
274.04712	1.0
275.05389	0.4
285.03915	2.1
286.04733	0.2
303.04968	100.0
304.05264	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03939	0.2
55.01854	0.4
61.41729	0.1
65.03923	0.7
67.01856	0.6
67.05492	0.3
68.90753	0.1
68.99784	2.6
69.00163	0.1
69.03415	0.2
69.50719	0.1
69.51125	0.6
71.01334	0.1
71.64680	0.1
79.05451	0.1
81.03407	0.9
86.09702	0.2
91.05476	0.6
93.03402	0.7
95.04963	1.0
97.02879	0.1
103.05471	0.2
105.03397	0.2
105.07019	0.2
107.04924	0.4
109.02869	1.6
110.03608	0.2
111.00806	2.2
111.04441	0.3
115.05466	0.3
117.07024	0.4
119.04967	0.2
121.02858	2.1
123.04403	0.7
126.03144	0.1
127.03926	0.6
128.06204	0.4
129.07008	0.5
131.04912	0.5
133.02843	0.2
135.04378	0.5
137.02332	8.5
137.05910	0.1
138.02615	0.1
141.06972	0.1
143.04935	0.2
143.08546	0.4
145.02904	0.2
145.06483	1.0
147.04350	0.1
149.02315	1.0
149.05969	0.1
151.03920	0.1
153.01817	12.1
153.06940	0.2
154.02200	0.2
155.04903	1.5
155.06026	0.1
157.06511	0.3
159.04430	0.4
160.05086	0.1
161.05983	0.9
163.03899	1.5
165.01822	4.2
166.02621	0.7
167.03299	0.1
169.06413	0.1
171.02895	0.2
171.08107	0.2
173.02338	0.1
173.05984	1.7
177.01820	0.2
177.05457	0.3
179.03371	0.5
181.06496	0.2
183.02879	1.8
183.04431	1.1
184.05084	0.1
187.03899	1.2
189.05444	0.1
191.03386	0.4
191.07066	0.3
195.02814	0.4
199.07512	0.4
200.04649	0.1
201.05446	5.3
201.15604	0.1
202.05878	0.2
205.04907	0.4
207.02902	0.3
211.03932	0.4
213.05452	0.4
215.03391	0.3
217.05040	0.2
217.08665	0.2
219.02911	0.3
219.06560	0.5
228.04176	0.9
229.04944	10.4
230.05319	0.5
232.03658	0.3
233.04387	0.1
239.03508	0.6
243.02715	0.1
245.04494	0.2
246.05345	0.1
247.06036	1.5
257.04419	5.9
258.04919	0.4
261.04224	0.1
274.04727	1.6
275.05386	0.4
285.03906	2.6
286.04593	0.3
286.14102	0.1
302.03906	0.1
303.04962	100.0
304.05301	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
53.61338	0.2
55.01858	0.4
55.05488	0.4
56.05030	0.5
56.96556	0.5
60.04534	0.2
62.17657	0.2
65.03927	0.8
67.01846	0.6
67.05487	0.6
67.60445	0.2
68.99800	2.5
69.03412	0.6
69.07062	0.5
70.06577	1.0
71.58792	0.3
72.04527	0.3
72.08159	1.6
73.08480	0.4
74.02439	0.3
74.06075	0.2
74.40812	0.2
75.58381	0.2
79.05486	0.5
80.05039	0.3
81.03421	2.0
81.07041	0.5
82.03741	0.5
82.06556	0.3
83.04969	0.2
84.04507	0.4
84.08154	1.1
85.02893	0.6
86.09692	2.0
87.09997	0.2
91.05478	0.6
93.03399	0.7
93.07026	0.3
95.04953	1.2
96.08149	0.2
98.97542	0.2
99.63530	0.2
105.07024	0.5
107.04955	0.3
107.08588	0.2
109.02880	1.4
110.06039	0.4
110.07156	0.7
111.00797	1.7
115.05449	0.3
116.07106	0.3
117.06997	0.4
119.04949	0.4
119.08518	0.3
120.08123	0.5
121.02874	2.5
123.04401	1.4
127.03917	1.5
129.07057	0.2
129.10236	0.5
130.06563	0.2
131.04953	0.5
131.08595	0.3
133.06516	0.4
134.05836	0.3
135.04431	0.5
137.02348	9.8
137.03386	0.6
137.05875	0.2
139.03889	0.5
143.11761	0.6
144.12166	0.5
145.06458	0.9
146.04457	0.3
147.04446	0.5
149.02339	1.0
151.03922	1.2
153.01831	10.8
155.04919	0.9
159.04401	0.3
161.05994	1.0
163.03943	1.8
165.01842	3.9
171.02925	0.3
171.11337	0.2
173.06001	1.5
176.11624	0.3
177.05461	0.5
179.03488	0.5
183.02867	1.5
183.04462	0.9
187.03928	0.8
191.03479	0.5
193.12257	0.3
194.12604	1.1
195.02942	0.6
201.05458	4.5
205.04999	0.5
205.40109	0.2
211.03891	0.3
211.15166	0.6
219.06625	0.6
228.04153	0.7
229.04956	9.9
230.05325	0.4
239.03488	0.5
239.11739	0.4
243.11299	0.3
247.06136	1.2
251.14946	0.2
257.04437	5.0
257.12949	0.3
260.78094	0.2
267.11298	0.4
268.16260	0.8
274.04703	1.2
275.05273	0.3
285.04007	2.4
285.12296	1.5
286.17282	0.5
303.04990	100.0
304.05331	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	303.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95464	0.1
53.14219	0.1
53.39253	0.1
54.08503	0.1
55.01867	0.3
65.03933	0.5
67.01862	0.4
67.05482	0.4
68.99432	0.2
68.99785	2.4
69.03404	0.3
69.34654	0.8
69.35079	0.6
81.03421	0.9
82.66503	0.1
89.37516	0.1
91.05478	0.2
93.03409	0.7
95.04964	0.9
97.02910	0.2
102.51029	0.1
103.05420	0.2
105.03400	0.3
105.07007	0.2
107.04973	0.3
109.02874	1.1
110.03631	0.1
111.00803	2.2
111.04465	0.3
115.05427	0.2
117.07011	0.5
119.04898	0.2
121.02850	2.2
123.04402	0.8
127.03907	0.6
131.04929	0.4
135.04390	0.3
137.02339	8.7
137.03397	0.5
138.02591	0.2
145.02791	0.2
145.06471	1.1
149.02336	1.0
153.01822	11.3
154.02084	0.2
155.04918	1.1
155.06036	0.2
157.06465	0.3
159.04373	0.2
161.05978	0.7
163.03906	1.4
163.55081	0.1
165.01837	4.3
166.02682	0.6
167.03386	0.2
173.05980	1.4
177.01872	0.3
179.03404	0.4
183.02872	1.5
183.04430	1.2
187.03864	1.1
191.03412	0.4
191.06984	0.2
195.02850	0.7
201.05460	4.4
202.05710	0.1
203.03424	0.2
205.04881	0.4
206.98207	0.1
207.02881	0.3
211.03934	0.4
213.05486	0.3
215.03368	0.3
217.04883	0.2
219.02914	0.3
219.06465	0.6
228.04256	0.7
229.04950	9.4
230.05264	0.5
232.03616	0.3
239.03427	0.3
246.05258	0.2
247.06032	1.5
257.04422	5.4
258.04880	0.2
274.04678	1.4
275.05499	0.3
285.03918	2.7
286.04456	0.2
303.04968	100.0
304.05304	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	302.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.3
56.05037	0.9
58.06585	0.6
63.87103	0.6
65.03936	0.9
66.12719	0.6
67.05515	3.2
67.17171	0.6
68.99814	1.4
69.03433	0.9
69.07059	7.6
69.70424	4.2
70.06588	2.6
75.05598	15.8
79.05492	1.7
81.03416	1.5
81.07040	2.1
82.07384	0.9
82.76270	0.6
83.04971	1.1
84.04533	0.9
84.08138	1.0
85.02904	0.8
86.09703	100.0
87.05618	0.8
87.10027	0.8
91.05483	2.1
93.07005	0.9
93.75024	0.6
95.04949	1.9
95.08601	1.6
96.08957	0.6
97.02882	0.8
98.21456	1.3
98.97590	1.0
105.07023	2.1
107.04989	0.9
107.08557	0.6
109.02895	1.2
109.06504	0.6
111.00827	1.0
117.07015	0.9
119.08597	0.8
120.08884	1.0
121.02829	0.7
121.06482	0.9
121.10143	1.2
122.06036	0.7
122.10416	0.7
123.04408	3.2
127.03910	0.9
132.10205	11.1
135.08047	1.3
136.08374	1.8
137.02310	5.2
143.11792	88.7
144.12177	1.2
153.01825	4.9
155.04918	0.7
162.05447	1.5
165.01851	1.6
166.05028	0.8
171.11293	20.1
177.00731	0.8
183.02841	0.9
187.03975	0.8
189.12354	1.8
200.10741	0.9
201.05357	1.5
212.16460	1.5
223.50011	0.6
228.10220	1.0
229.05009	4.6
229.47740	0.7
239.03407	0.7
242.16180	0.6
256.09546	4.2
256.11859	0.7
257.04343	2.9
258.16992	1.9
274.04532	0.9
284.06332	0.9
284.09116	0.8
284.20807	1.1
285.03714	0.9
285.12134	1.3
302.04224	1.6
302.07248	1.3
302.10260	2.5
302.13965	0.6
302.21793	2.7
303.04987	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36240	0.4
56.96568	0.4
57.84587	0.4
69.45347	0.4
69.72196	3.2
70.66567	0.5
83.75896	0.5
94.20291	0.5
98.97566	1.4
101.00855	0.9
116.98601	1.9
119.01920	6.6
120.01927	0.7
134.99669	1.5
137.02942	3.5
153.00754	0.7
158.99811	0.6
176.99352	0.8
177.00938	13.9
178.01003	2.7
178.99300	0.5
179.00639	2.5
182.99857	0.9
195.01901	0.6
201.00911	1.4
203.00630	0.6
217.04063	2.5
218.03555	2.4
219.01994	21.9
220.02023	5.3
221.01746	8.1
222.01979	1.9
225.00951	1.7
226.01178	0.8
236.99623	1.0
242.03520	0.7
243.01907	5.9
244.02106	1.6
259.00217	0.7
260.04523	0.6
261.03036	100.0
262.03180	30.2
263.02838	4.2
277.00977	0.7
279.00626	1.5
283.00043	0.8
284.04593	1.9
284.99771	1.8
285.04636	1.8
298.98248	0.5
301.00897	1.7
303.00821	4.1
303.05463	8.2
320.98291	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
52.67866	0.2
53.03941	0.3
55.01856	0.5
56.05024	0.3
65.03927	0.4
67.01850	0.5
67.05485	0.4
68.99772	2.3
69.03416	0.4
69.07038	0.2
69.77782	0.9
69.78186	0.3
70.06573	0.6
72.08131	0.7
76.34205	0.2
81.03423	1.3
81.07047	0.2
84.04499	0.2
84.08118	0.4
85.02866	0.2
86.09697	1.2
87.10016	0.4
91.05441	0.5
93.03403	0.5
95.04942	0.8
98.97560	0.2
101.20565	0.2
105.03402	0.2
105.07021	0.3
107.04906	0.3
107.08542	0.2
109.02899	1.0
110.07136	0.6
111.00770	1.7
111.04412	0.2
116.98602	0.2
120.08112	0.2
121.02865	1.9
123.04408	0.8
127.03859	1.0
133.02803	0.3
135.04408	0.5
136.53705	0.2
137.02330	7.9
137.03371	0.5
137.05910	0.3
144.12039	0.2
145.06479	0.8
149.02293	1.1
149.05803	0.2
151.03911	0.2
153.01816	11.0
154.02170	0.3
155.04900	0.9
159.04369	0.4
161.05963	0.7
163.03883	1.3
165.01823	3.9
166.02608	0.6
167.03290	0.2
171.02901	0.3
173.06013	1.4
179.03317	0.3
183.02858	1.3
183.04411	1.0
187.03883	1.1
191.03438	0.4
193.05077	0.2
194.12604	0.2
194.87766	0.3
195.02859	0.6
201.05466	4.3
205.04951	0.4
207.02740	0.3
211.03882	0.4
211.15128	0.3
213.05544	0.2
219.03027	0.2
219.06558	0.4
226.14571	0.2
228.04160	0.6
229.04939	8.9
239.03368	0.3
245.04468	0.4
247.06104	0.9
257.04419	5.3
268.16180	0.2
274.04654	1.1
275.05225	0.6
285.03931	2.4
285.12308	0.5
286.04694	0.2
302.03717	0.3
303.04959	100.0
304.05225	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	303.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27188	0.1
55.01879	0.4
58.64949	0.2
65.03926	0.5
67.01854	0.4
67.05497	0.5
68.99789	2.3
69.03415	0.2
69.48281	1.5
73.33488	0.2
81.03402	0.6
81.51129	0.2
91.05451	0.2
93.03400	0.6
95.04970	1.0
98.21521	0.3
104.01984	0.2
105.03368	0.3
105.07031	0.3
109.02872	1.4
110.03589	0.2
110.51148	0.2
111.00798	2.5
117.06973	0.4
121.02872	2.3
123.04420	1.2
127.03907	0.8
131.04938	0.3
135.04436	0.5
137.02335	8.2
137.03374	0.5
137.05923	0.2
145.06487	0.8
146.79398	0.2
149.02350	1.0
153.01816	10.3
154.02139	0.2
155.04865	1.0
157.06473	0.2
159.04395	0.3
161.05997	0.6
163.03917	1.5
165.01826	4.1
166.02541	0.4
173.05992	1.5
177.01924	0.2
177.05521	0.3
179.03300	0.3
183.02876	1.8
183.04402	0.7
187.03894	1.0
191.03397	0.5
195.02876	0.6
201.05444	4.8
205.04884	0.5
207.02965	0.2
211.03807	0.2
213.05513	0.4
215.03400	0.3
218.94684	0.2
219.02914	0.4
219.06526	0.6
228.04176	0.6
229.04945	8.7
230.05325	0.4
232.03862	0.2
233.04512	0.2
239.03632	0.2
247.06047	1.4
250.94676	0.2
257.04443	5.8
274.04712	1.4
275.05322	0.2
285.03925	2.5
286.04599	0.2
303.04968	100.0
304.05289	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	302.2073
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
53.03923	0.3
55.01863	0.6
55.05510	0.6
56.05032	0.5
56.96561	0.7
57.03431	0.6
57.05810	0.6
61.02916	0.3
65.03938	0.7
67.05167	0.4
67.05505	6.9
68.99789	0.5
69.03426	3.1
69.07066	12.0
70.02536	1.4
70.06583	2.6
70.52753	0.3
70.73342	0.2
71.08604	0.7
72.08128	1.7
73.02930	0.3
75.05598	3.8
79.05498	0.6
81.03414	1.8
81.07058	0.6
84.04500	0.7
84.08138	1.1
85.02905	7.4
86.09703	100.0
87.10047	1.0
88.11251	0.4
91.05489	1.1
93.07056	0.7
94.06566	0.4
95.04964	9.5
95.08638	0.3
96.04543	0.3
97.02889	5.8
98.20809	0.4
98.97588	0.6
99.04433	0.3
100.03963	0.4
103.03928	0.4
105.06996	0.4
107.08601	0.4
109.02881	1.3
109.10203	0.3
110.07221	0.2
111.00805	0.6
111.04472	0.3
112.07606	6.6
112.08350	0.5
113.06028	0.9
116.07097	0.4
117.06975	0.4
120.08160	0.4
121.02856	0.7
122.06095	0.5
123.04408	0.6
124.07594	0.5
127.03939	1.5
128.03429	2.3
129.10251	0.6
131.04971	0.3
132.10207	8.6
135.08086	0.3
136.07576	0.7
137.02348	2.9
137.05981	0.7
140.07062	16.8
141.07491	0.4
143.11794	24.3
144.12091	0.4
145.04936	0.5
145.06450	0.3
147.04395	0.3
148.29909	0.3
153.01833	2.7
153.27660	0.3
154.08669	1.2
163.03941	0.7
164.07063	0.5
165.01852	0.9
170.11853	0.5
171.11259	10.8
173.05997	0.6
178.08681	0.6
182.08133	9.7
183.02890	0.5
183.08601	0.5
189.12329	8.6
198.11249	3.5
199.00659	1.3
201.05496	1.0
206.08197	2.1
213.02188	0.8
218.08148	0.3
224.31941	0.3
229.04929	3.0
234.99071	0.4
236.09180	0.3
243.11304	0.4
248.09203	1.5
256.13504	0.6
257.04419	1.6
257.12885	0.4
274.04764	0.5
285.03827	0.5
285.12256	1.3
302.04053	0.4
302.11896	0.4
302.20868	0.9
303.04993	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	302.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.3
56.05037	0.9
58.06585	0.6
63.87103	0.6
65.03936	0.9
66.12719	0.6
67.05515	3.2
67.17171	0.6
68.99814	1.4
69.03433	0.9
69.07059	7.6
69.70424	4.2
70.06588	2.6
75.05598	15.8
79.05492	1.7
81.03416	1.5
81.07040	2.1
82.07384	0.9
82.76270	0.6
83.04971	1.1
84.04533	0.9
84.08138	1.0
85.02904	0.8
86.09703	100.0
87.05618	0.8
87.10027	0.8
91.05483	2.1
93.07005	0.9
93.75024	0.6
95.04949	1.9
95.08601	1.6
96.08957	0.6
97.02882	0.8
98.21456	1.3
98.97590	1.0
105.07023	2.1
107.04989	0.9
107.08557	0.6
109.02895	1.2
109.06504	0.6
111.00827	1.0
117.07015	0.9
119.08597	0.8
120.08884	1.0
121.02829	0.7
121.06482	0.9
121.10143	1.2
122.06036	0.7
122.10416	0.7
123.04408	3.2
127.03910	0.9
132.10205	11.1
135.08047	1.3
136.08374	1.8
137.02310	5.2
143.11792	88.7
144.12177	1.2
153.01825	4.9
155.04918	0.7
162.05447	1.5
165.01851	1.6
166.05028	0.8
171.11293	20.1
177.00731	0.8
183.02841	0.9
187.03975	0.8
189.12354	1.8
200.10741	0.9
201.05357	1.5
212.16460	1.5
223.50011	0.6
228.10220	1.0
229.05009	4.6
229.47740	0.7
239.03407	0.7
242.16180	0.6
256.09546	4.2
256.11859	0.7
257.04343	2.9
258.16992	1.9
274.04532	0.9
284.06332	0.9
284.09116	0.8
284.20807	1.1
285.03714	0.9
285.12134	1.3
302.04224	1.6
302.07248	1.3
302.10260	2.5
302.13965	0.6
302.21793	2.7
303.04987	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
54.03455	2.8
55.01855	2.9
56.05021	3.8
56.96553	2.5
65.03923	2.1
67.05501	20.6
68.05021	8.0
69.03407	3.5
69.04557	24.7
70.06584	10.5
70.16669	6.9
70.17052	3.6
72.04513	10.2
74.02441	37.2
79.05482	4.0
80.05019	26.1
81.03420	11.4
81.05799	9.5
82.02943	14.2
82.06576	19.5
83.04955	2.2
84.04507	13.0
84.08128	3.1
85.02925	2.9
93.05803	3.1
94.06563	66.0
95.04966	31.6
95.06063	1.8
95.06902	2.3
96.04482	4.5
96.08132	3.3
98.06053	18.5
99.05573	17.8
100.03971	10.2
101.02297	2.1
104.04987	6.3
106.06532	3.1
108.04449	1.7
109.07639	12.8
110.06030	6.5
112.07584	3.1
118.05016	11.4
119.06020	1.7
120.04497	2.6
121.07625	34.8
122.06030	100.0
122.09644	3.1
123.04398	4.7
124.07561	3.2
128.03439	1.8
135.05516	2.9
139.08662	77.6
140.07079	25.3
140.72794	1.6
145.06067	19.0
146.04488	27.1
157.09732	20.4
163.07167	7.5
175.08626	2.1
193.09695	2.6
197.05562	2.2
203.08150	6.1
209.98094	1.8
220.10796	15.5
221.09210	6.2
238.11899	7.9
239.10243	2.9
266.11334	6.4
267.09659	6.5
284.12366	13.4
285.10849	6.4
290.07983	2.3
302.09268	20.7
302.13385	33.0
302.16748	1.4
303.10300	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04681	0.7
53.03953	0.9
54.52027	0.6
55.05508	7.4
56.05027	1.9
57.03429	0.8
57.05817	0.9
60.04554	0.6
65.03947	0.7
67.05493	1.8
68.99786	2.1
69.03431	1.3
69.07063	1.4
70.02965	0.8
70.06590	4.6
70.14313	3.2
72.04517	1.2
72.08152	100.0
73.08490	1.1
74.02404	1.1
74.06063	0.8
79.05487	1.6
80.05015	1.2
80.89487	0.6
81.03418	8.3
81.07055	2.3
82.06588	1.1
83.04970	0.8
83.08620	1.7
84.04487	0.7
84.08141	2.2
85.02900	1.4
86.09702	23.8
91.05466	3.8
93.07041	2.4
94.06594	0.7
95.04978	2.8
95.08640	0.9
100.07632	1.4
105.07042	1.4
107.08618	1.2
110.07158	1.1
111.00838	0.8
111.08083	1.5
118.08676	1.3
119.04919	0.8
121.02885	1.9
121.10150	1.7
123.04459	1.2
127.03898	0.8
129.10269	1.8
130.06586	0.8
130.80415	0.6
131.08595	1.0
132.10187	6.1
133.10068	0.7
137.02342	4.5
143.11792	68.7
147.11690	1.0
149.02325	0.8
149.09665	1.0
153.01799	5.8
155.04938	0.7
157.10115	1.3
157.13344	5.8
163.07285	1.1
165.01837	2.2
166.12300	1.6
171.11281	24.7
175.11226	1.9
182.15437	2.2
183.04465	0.8
185.12930	2.3
187.03908	0.9
189.12415	0.9
193.12244	9.8
201.05539	2.8
203.14024	0.7
210.14867	6.4
211.13335	1.0
218.05353	0.8
229.04990	5.2
231.17102	2.6
237.02797	0.6
239.11696	0.7
246.04718	0.8
257.04507	3.7
258.17096	1.2
267.15866	6.0
274.04608	1.9
275.09158	0.7
284.18542	1.4
285.03940	2.0
285.12503	1.5
285.17123	3.6
302.03973	3.3
302.19656	3.8
303.04987	53.8
303.14154	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
54.03457	1.5
55.01867	1.9
55.05506	10.1
56.05035	3.5
57.03420	1.7
58.06602	1.8
63.00077	1.3
67.05493	4.7
68.05032	7.4
69.03423	1.3
69.07027	1.3
69.38180	10.9
70.06587	61.9
71.04984	15.4
72.04510	8.9
72.08155	2.3
72.52901	1.0
74.02432	17.1
80.05020	3.4
81.03407	4.4
82.02922	5.6
82.06573	14.3
82.07014	1.8
83.04945	2.7
83.06088	1.6
83.67362	1.2
84.04491	7.0
84.08125	2.1
85.02886	1.4
85.06539	2.1
86.09720	1.8
94.06563	11.3
95.04966	4.5
95.06133	1.9
96.04504	2.5
96.06865	2.8
96.08123	1.3
97.07647	100.0
98.03482	1.2
98.06047	17.6
98.07985	1.7
99.04460	24.1
99.05563	19.4
100.03966	6.5
107.06072	1.2
109.07632	1.5
110.06039	3.6
110.07143	4.1
111.09213	1.3
112.07613	9.5
113.05997	24.7
114.05566	2.0
116.07148	1.3
117.06617	1.5
118.05006	7.5
121.07682	1.5
122.06033	11.9
125.04575	2.8
125.07034	2.3
127.06128	1.8
127.08688	1.5
139.08650	11.1
140.07056	88.7
142.07314	2.2
145.06078	23.1
146.04472	22.0
149.07158	1.1
151.08652	2.2
155.08192	1.7
156.07651	1.3
157.09714	69.1
158.08115	17.9
163.07127	15.1
170.06818	2.3
179.08203	2.4
197.09201	4.6
224.10371	2.0
225.08710	4.6
238.11841	3.1
239.10132	1.9
242.11272	4.7
257.11349	4.3
275.95883	1.3
284.06235	1.3
284.12372	11.7
285.10776	13.1
302.13467	36.7
302.16925	2.0
303.13727	1.6
320.23972	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51299	0.6
56.96552	1.3
71.58108	1.1
76.99235	0.6
98.97566	1.9
105.66380	0.6
116.98620	2.0
117.99069	0.5
119.01910	6.2
124.36719	0.6
134.99651	2.8
137.02936	2.9
176.99561	1.2
177.00957	12.9
178.01042	3.5
179.00687	4.8
180.00914	1.0
201.00935	1.1
212.95528	0.8
216.03987	0.7
217.04065	2.4
218.03661	2.1
219.02005	26.6
220.02066	9.7
221.01767	15.1
222.01976	1.3
225.01003	2.8
226.01154	0.9
234.99907	1.4
242.03580	1.6
243.01959	5.8
254.96626	0.8
260.02618	2.1
260.05048	3.0
261.03049	100.0
262.03192	8.2
263.03049	0.8
276.06134	0.7
278.00650	0.8
278.03705	2.2
278.96603	1.0
279.00552	1.9
279.02628	0.9
282.99866	1.1
284.00174	1.6
284.04694	4.7
296.97754	1.2
302.01065	2.8
302.05563	10.9
302.09766	1.3
303.00980	1.7
303.05472	2.7
319.98676	0.8
320.04999	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.05476	3.0
56.05030	2.8
56.96549	4.9
57.03434	5.0
59.72568	2.1
61.02903	3.0
65.03933	4.4
67.05497	41.6
69.03425	18.2
69.07069	18.5
70.02957	3.0
70.06602	14.8
71.58203	4.0
72.08157	17.0
73.02901	3.6
73.13510	2.2
79.05493	2.1
81.03401	11.6
82.06570	4.2
82.51907	2.1
83.04959	2.5
84.04488	6.2
84.08135	29.5
85.02901	49.0
86.09701	24.1
88.03973	4.3
91.05434	2.4
94.06561	5.6
95.04964	51.2
96.08122	2.8
97.02883	41.3
98.06020	2.4
98.10244	2.4
101.02357	2.5
103.03890	2.5
109.02840	7.9
110.06024	5.3
112.07609	40.0
113.05976	3.5
116.98552	2.8
122.06032	4.3
123.04404	3.6
123.09193	2.7
124.07590	7.5
126.92183	2.3
127.03889	9.3
129.10226	7.2
130.06508	5.0
134.52452	2.2
134.65613	2.5
137.02362	3.6
140.07057	100.0
145.04846	2.9
147.04359	2.7
152.07043	2.5
153.01776	3.6
154.08633	9.6
161.01363	2.6
163.03807	2.8
165.01889	2.2
170.08087	2.5
178.08624	3.3
182.08102	63.6
190.18291	2.3
206.08073	15.1
210.91245	2.9
213.02127	11.3
218.08122	2.5
229.04688	4.2
248.09192	7.6
257.04337	4.6
302.12570	4.6
303.04968	38.6
303.14084	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09226	1.7
53.03900	2.1
54.03466	3.1
55.01865	5.1
55.05498	8.1
56.05028	3.1
56.96558	6.0
57.03420	4.5
57.31099	1.8
65.03936	1.9
67.05497	10.7
68.99768	2.4
69.03418	6.8
69.07063	22.8
69.39594	1.9
69.68304	10.2
69.68726	4.3
70.06590	19.5
72.04505	7.8
72.08146	10.2
73.02912	3.0
74.02440	30.5
79.05489	16.1
81.03400	6.0
81.07053	47.2
82.02927	8.1
82.06569	3.0
83.04953	3.9
84.04468	5.0
84.08140	10.8
85.02885	6.1
86.09708	21.8
91.05476	18.5
93.06467	4.5
93.07041	77.0
95.04953	9.9
95.08604	26.1
97.02893	3.0
97.06493	3.6
98.21474	3.7
98.97575	3.4
99.05565	38.9
100.03983	14.8
103.05456	4.0
105.07020	14.2
107.04948	55.0
107.08557	2.7
108.05282	27.7
109.02830	3.2
109.10152	22.2
110.59548	2.1
111.04373	2.6
111.11684	11.4
112.07604	3.9
115.05441	3.7
116.05779	2.5
116.98598	2.8
117.06622	6.0
118.05003	21.0
119.05006	3.9
119.08549	7.6
121.06469	5.5
121.10136	66.8
123.04406	4.4
123.08043	4.1
127.03993	2.7
129.10197	7.4
133.10086	2.6
134.99712	3.1
137.05968	6.9
138.06435	2.4
138.12726	3.9
139.11174	15.0
143.04868	4.9
144.05257	3.7
145.06049	23.1
145.10129	4.6
146.04477	75.5
146.06833	2.4
147.04399	2.2
149.02315	7.3
149.05954	7.3
151.03822	3.9
153.01837	4.5
153.06950	2.9
153.25102	1.9
156.13860	11.9
161.05815	3.0
163.07141	100.0
167.08443	2.1
174.24562	1.9
175.07524	4.1
176.07883	8.0
177.05458	5.1
181.04956	3.6
181.06451	5.3
189.05476	3.1
193.12210	2.4
197.05846	3.3
198.09836	4.5
201.39532	2.3
209.09462	3.4
210.09889	5.6
213.10249	3.8
217.04941	8.1
227.06821	3.8
227.11742	4.5
229.05080	2.3
230.05664	2.2
237.02794	2.4
238.09473	9.0
241.04939	4.4
241.09735	6.0
245.04411	5.9
245.08102	4.2
255.11456	10.3
258.05310	7.3
259.10773	6.2
269.04459	2.7
270.12048	19.0
273.03860	5.5
273.07614	5.4
273.12399	2.3
283.06055	2.5
283.10687	5.9
283.16382	4.9
285.04083	5.0
286.04675	24.2
286.09427	3.5
292.24490	2.4
301.03427	14.8
301.07016	49.1
301.11826	26.1
301.16287	89.1
301.21353	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09226	1.7
53.03900	2.1
54.03466	3.1
55.01865	5.1
55.05498	8.1
56.05028	3.1
56.96558	6.0
57.03420	4.5
57.31099	1.8
65.03936	1.9
67.05497	10.7
68.99768	2.4
69.03418	6.8
69.07063	22.8
69.39594	1.9
69.68304	10.2
69.68726	4.3
70.06590	19.5
72.04505	7.8
72.08146	10.2
73.02912	3.0
74.02440	30.5
79.05489	16.1
81.03400	6.0
81.07053	47.2
82.02927	8.1
82.06569	3.0
83.04953	3.9
84.04468	5.0
84.08140	10.8
85.02885	6.1
86.09708	21.8
91.05476	18.5
93.06467	4.5
93.07041	77.0
95.04953	9.9
95.08604	26.1
97.02893	3.0
97.06493	3.6
98.21474	3.7
98.97575	3.4
99.05565	38.9
100.03983	14.8
103.05456	4.0
105.07020	14.2
107.04948	55.0
107.08557	2.7
108.05282	27.7
109.02830	3.2
109.10152	22.2
110.59548	2.1
111.04373	2.6
111.11684	11.4
112.07604	3.9
115.05441	3.7
116.05779	2.5
116.98598	2.8
117.06622	6.0
118.05003	21.0
119.05006	3.9
119.08549	7.6
121.06469	5.5
121.10136	66.8
123.04406	4.4
123.08043	4.1
127.03993	2.7
129.10197	7.4
133.10086	2.6
134.99712	3.1
137.05968	6.9
138.06435	2.4
138.12726	3.9
139.11174	15.0
143.04868	4.9
144.05257	3.7
145.06049	23.1
145.10129	4.6
146.04477	75.5
146.06833	2.4
147.04399	2.2
149.02315	7.3
149.05954	7.3
151.03822	3.9
153.01837	4.5
153.06950	2.9
153.25102	1.9
156.13860	11.9
161.05815	3.0
163.07141	100.0
167.08443	2.1
174.24562	1.9
175.07524	4.1
176.07883	8.0
177.05458	5.1
181.04956	3.6
181.06451	5.3
189.05476	3.1
193.12210	2.4
197.05846	3.3
198.09836	4.5
201.39532	2.3
209.09462	3.4
210.09889	5.6
213.10249	3.8
217.04941	8.1
227.06821	3.8
227.11742	4.5
229.05080	2.3
230.05664	2.2
237.02794	2.4
238.09473	9.0
241.04939	4.4
241.09735	6.0
245.04411	5.9
245.08102	4.2
255.11456	10.3
258.05310	7.3
259.10773	6.2
269.04459	2.7
270.12048	19.0
273.03860	5.5
273.07614	5.4
273.12399	2.3
283.06055	2.5
283.10687	5.9
283.16382	4.9
285.04083	5.0
286.04675	24.2
286.09427	3.5
292.24490	2.4
301.03427	14.8
301.07016	49.1
301.11826	26.1
301.16287	89.1
301.21353	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2159
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
51.02376	1.8
53.03928	2.2
55.05509	11.2
56.96548	3.3
57.03421	2.7
57.07062	2.0
65.03931	2.1
65.82773	1.1
67.05499	24.8
69.03409	1.9
69.07057	10.1
70.73047	1.1
70.73380	2.9
71.04990	7.0
75.04466	2.5
79.05490	19.6
81.03400	1.5
81.07053	45.2
83.04997	1.8
83.08605	4.9
85.06544	3.1
89.44790	1.1
91.05473	31.7
93.07041	78.7
94.07365	1.1
94.34947	1.1
95.04395	1.8
95.04961	10.9
95.08602	61.2
97.06526	4.6
97.10146	1.9
98.97602	1.6
99.04427	2.3
103.05460	1.5
105.07025	63.2
107.04949	1.9
107.08592	39.5
109.06493	5.4
109.10151	20.4
111.08110	5.7
113.06019	1.9
115.05394	1.6
116.98623	1.9
117.07011	7.0
119.08578	59.9
121.06483	5.3
121.09313	2.0
121.10137	32.5
123.08044	5.7
123.11692	5.3
125.05942	1.4
125.09659	2.4
128.06241	1.5
129.06989	3.2
130.07767	1.7
131.08554	24.7
133.10133	34.6
135.08029	5.6
135.11685	11.5
137.09587	7.7
139.11169	1.8
141.09059	1.7
142.07756	2.4
143.08574	8.3
144.09334	2.0
145.10120	41.6
145.11281	2.0
146.10875	1.4
146.94527	1.2
147.08029	2.7
147.11685	34.9
149.09619	3.3
149.13234	4.7
151.11151	1.9
153.09073	1.8
155.08591	1.5
156.09343	2.6
157.10121	11.8
159.08028	2.2
159.11687	30.0
160.12480	7.1
161.09584	4.3
161.13254	25.6
163.11171	5.5
163.14749	1.7
165.06960	1.3
165.12804	1.7
169.10123	3.4
171.11673	10.1
173.13272	15.9
174.14041	1.4
175.11203	3.4
175.14775	3.0
177.09126	1.4
177.12744	3.6
179.08539	1.2
181.04950	2.3
181.06422	2.2
181.10155	1.3
183.11707	2.5
185.06142	1.3
185.09669	1.2
185.13275	8.5
187.11203	2.2
187.14795	13.1
189.12804	3.0
189.16383	5.0
191.10704	2.1
193.12230	2.5
195.11613	1.3
197.13232	3.1
199.14806	5.4
201.12747	1.7
201.16367	15.9
202.17191	6.4
205.12268	2.2
205.16013	1.3
207.13853	3.3
209.13312	2.5
211.14867	1.7
213.12756	2.7
213.16357	5.7
223.14743	1.8
225.16341	3.3
226.06227	2.4
227.14288	3.4
227.17882	15.0
239.18007	1.7
241.08710	2.1
241.15848	3.3
241.19392	2.4
245.15337	2.9
255.18466	1.5
255.21017	10.7
259.20645	2.4
265.19504	4.7
269.17538	5.4
283.20541	19.0
286.04718	2.0
301.03726	1.8
301.07037	9.7
301.10678	7.1
301.21613	100.0
302.21979	4.8
319.77411	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	2.1
69.03403	1.3
69.07076	0.8
70.06583	1.9
71.58195	1.0
72.08167	1.3
79.05462	0.9
81.03385	1.0
84.08130	1.5
85.02868	1.5
86.01100	0.8
86.01685	0.7
86.09681	2.2
91.37754	0.8
96.64513	0.8
98.97584	1.1
139.08621	0.8
139.20493	0.8
163.03818	1.1
166.23866	0.9
181.04892	1.2
221.05243	1.5
292.30679	0.9
301.12537	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33876	8.5
55.01871	21.7
55.05521	32.4
57.03436	45.9
67.05501	100.0
69.07079	27.0
70.44073	7.8
71.60848	9.6
79.05488	88.3
81.03432	8.5
81.07056	73.7
83.04979	38.1
83.08639	18.8
85.02909	13.0
88.59489	7.6
91.05476	49.8
93.07041	93.7
93.07540	8.8
95.05000	25.6
95.08631	38.5
97.06539	23.9
97.10201	15.0
97.42086	7.8
99.04474	8.9
102.49997	8.5
104.43749	8.3
105.07069	29.6
107.04949	57.8
107.07985	8.8
107.08569	54.4
107.30382	8.4
109.10212	23.4
111.04444	49.5
117.07039	28.5
119.08630	35.0
121.10137	85.9
127.86494	10.3
131.08553	19.6
135.08078	11.6
135.11671	44.3
139.11226	10.2
145.06544	17.7
145.10129	66.5
147.08025	8.2
149.09659	17.8
153.12779	19.5
163.11185	83.5
173.09607	45.8
173.13193	7.9
181.12318	29.1
188.92491	18.3
191.10695	35.5
209.11707	14.2
227.12827	30.6
244.95149	9.2
245.13834	14.9
286.05020	10.5
301.07159	24.6
301.16476	86.1
301.21609	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	301.1181
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
55.01854	0.6
55.05507	1.9
56.96564	0.4
57.03420	0.6
61.15758	0.3
65.03941	2.3
67.05499	3.8
69.03410	1.2
69.07068	1.6
70.06718	1.4
71.04974	1.3
72.08136	0.4
77.03883	0.4
79.05483	2.1
81.03407	0.6
81.07056	5.0
82.02940	0.5
82.06562	0.4
83.04978	0.9
83.08601	0.6
84.87488	0.3
85.02900	0.7
87.65120	0.3
88.36457	0.3
91.05473	3.9
92.05005	2.0
93.03333	0.4
93.07036	4.1
94.06539	0.5
95.04955	2.1
95.08605	3.7
97.06522	1.4
97.10164	0.4
98.20790	0.4
98.97586	0.4
105.07017	4.9
107.04959	2.9
107.08585	3.8
108.08101	0.6
108.98557	0.3
109.06504	1.3
109.10151	2.7
110.05992	0.4
111.04414	0.4
111.08059	0.4
111.88377	0.3
111.89142	0.3
115.05421	0.5
116.98588	0.6
117.07014	1.4
119.04903	0.8
119.08578	7.7
120.04471	1.7
120.08122	0.4
121.06474	1.3
121.10151	2.1
122.06036	1.4
123.08076	0.8
123.11708	0.5
125.09623	0.7
128.06223	0.6
129.06978	0.9
131.08597	2.3
133.10107	3.0
134.06000	0.7
134.99638	0.6
135.08047	2.0
135.11661	1.1
136.07552	2.7
137.05919	0.7
137.09610	0.8
139.11101	0.4
141.06975	0.7
142.06557	0.3
142.07758	1.1
143.08563	2.0
144.08076	0.6
145.10133	4.6
146.05978	0.6
146.99609	0.3
147.04408	0.7
147.08014	0.5
147.11707	2.1
148.03839	0.5
148.07510	0.6
149.02312	0.9
149.05984	0.6
149.09570	0.7
149.13203	0.7
150.99843	0.3
151.11110	0.6
152.06206	0.8
153.01813	0.5
153.06970	0.9
154.06496	0.5
154.07729	0.5
155.07240	0.4
155.08524	0.7
155.41615	0.3
156.08125	0.7
156.09332	0.5
157.10112	2.1
158.09625	0.6
159.08038	0.5
159.09247	0.8
159.11685	3.7
160.07605	0.6
161.01178	0.4
161.09566	1.5
161.13333	0.7
162.05518	3.0
163.11160	1.0
165.06973	0.9
166.04979	0.5
167.07329	1.9
167.08543	0.5
168.08054	1.0
169.06395	0.3
169.07674	1.6
169.08850	0.6
169.10159	0.9
170.08398	0.8
170.09633	0.5
171.11696	1.3
172.07570	1.0
172.11197	0.6
173.07120	0.7
173.08357	0.4
173.09634	0.9
173.13203	1.1
175.11165	1.7
175.14914	0.7
177.05469	0.7
177.12785	0.5
181.06471	1.0
181.12234	0.4
182.09656	2.1
183.09160	2.3
183.11702	0.4
184.07539	0.7
184.09923	2.7
184.11252	1.2
185.06993	0.4
185.10794	0.4
185.13235	1.2
186.09209	0.7
187.08748	1.9
187.11058	0.4
187.14819	0.9
189.05440	0.4
189.12732	0.6
191.07298	0.4
191.14301	0.4
192.08122	0.5
194.09811	0.4
195.06691	0.7
196.05319	0.4
196.07555	0.5
197.06995	1.8
197.08572	0.7
197.13258	0.9
198.07820	1.2
198.09389	0.6
199.08569	0.9
199.12335	5.8
199.14854	0.8
200.10719	1.2
201.12575	0.4
201.16370	0.7
203.14203	0.6
209.05939	0.4
209.10727	1.0
209.13380	0.4
210.06979	0.5
210.09135	6.0
211.08659	4.5
211.14803	0.5
212.09235	8.5
213.10153	1.2
213.12053	0.5
213.16379	0.8
214.08623	0.6
214.10954	0.5
215.08112	1.2
215.14285	0.9
217.04990	1.1
219.01852	0.3
222.08041	0.6
223.14810	0.3
225.06599	1.5
225.10258	0.9
226.07304	0.6
226.11005	1.2
227.11783	24.3
228.10205	1.3
237.02682	0.5
237.10243	2.0
238.08586	1.7
239.08128	2.2
240.08900	11.4
241.09856	4.3
243.17368	0.3
245.04503	0.9
245.08070	0.8
253.09796	0.8
254.10474	0.8
255.11266	100.0
256.09503	3.1
256.11938	0.6
257.12888	3.4
265.19455	0.9
273.04132	0.8
273.07553	1.2
273.12354	1.1
283.10770	10.3
283.20526	2.6
284.09094	0.8
286.04889	0.6
301.03394	2.0
301.07062	2.6
301.11670	20.0
301.21606	9.4
301.24771	0.5
302.04114	0.4
302.10031	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	301.1181
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
55.01838	0.2
55.05490	0.4
56.96548	0.2
65.03931	1.7
67.05496	1.5
69.03402	0.5
69.07047	0.3
70.64050	0.7
71.04965	0.4
79.05457	0.7
81.07058	1.1
82.02906	0.3
83.04977	0.2
86.73473	0.2
91.05441	0.8
92.05001	2.0
93.03375	0.4
93.07005	0.7
94.06529	0.9
95.04932	0.5
95.08569	0.7
98.21463	0.2
103.05453	0.3
105.07048	1.0
106.06514	0.6
107.04929	0.5
107.08566	0.7
108.08100	0.4
109.06456	0.3
109.10113	0.6
110.06000	0.2
117.06950	0.4
118.06536	0.2
119.08571	1.0
120.03712	0.2
120.04463	2.3
121.06434	0.3
121.10151	0.4
122.06013	1.2
122.96532	0.2
123.11680	0.2
128.06168	0.6
129.06943	0.7
131.08519	0.7
132.08084	0.3
133.10127	0.5
134.05992	0.4
135.08031	0.3
135.11647	0.3
136.07545	2.3
139.61063	0.2
141.06998	0.3
142.06628	0.2
142.07741	0.6
143.07346	0.3
143.08507	0.6
144.08052	0.8
145.07584	0.2
145.08858	0.2
145.10066	0.7
146.06003	0.4
147.04381	0.2
147.11610	0.3
148.03883	0.7
148.07562	0.2
152.06192	0.5
153.07008	0.3
154.06476	0.5
154.07719	0.5
155.07317	0.4
155.08467	0.5
156.06915	0.2
156.08069	0.5
156.09262	0.3
157.10104	0.7
158.06009	0.4
158.09613	0.4
159.09256	0.5
159.11639	0.4
160.07559	0.4
161.07079	0.3
162.05466	1.5
165.06975	0.9
167.07349	2.0
167.08612	0.6
168.08057	1.0
169.07571	0.7
169.08853	0.9
169.10016	0.4
170.08360	0.9
170.09685	0.6
171.09106	0.4
172.07626	0.5
172.11174	0.4
173.07076	0.6
173.08356	0.5
173.13240	0.2
174.09131	0.3
175.11186	0.4
177.05496	0.3
180.08061	0.3
182.05988	0.3
182.09644	2.6
183.06795	0.3
183.09161	3.1
184.06160	0.2
184.07567	0.8
184.09900	2.3
184.11249	1.3
185.07057	0.5
185.10680	0.8
186.07718	0.2
186.09265	0.3
187.08661	2.6
192.08040	0.5
194.09689	0.5
195.06662	0.3
196.07573	0.6
197.06882	1.9
197.08426	0.8
197.10695	0.5
197.13177	0.4
198.07727	2.1
198.09253	0.6
199.08620	1.3
199.12302	6.4
200.10689	0.6
201.10117	0.3
209.10704	1.2
210.09135	6.0
211.08603	5.5
212.09245	10.0
213.06660	0.3
213.10161	2.6
214.10941	0.4
222.07788	0.3
225.06598	1.6
225.10118	1.2
226.07190	1.3
226.10756	1.0
227.08124	1.0
227.11775	26.5
228.10146	0.6
228.12080	0.4
237.10196	2.1
237.98109	0.2
238.08592	1.7
239.08139	2.4
240.08899	10.9
241.09708	7.9
253.09648	0.6
254.10507	0.9
255.11261	100.0
256.11612	1.7
257.12863	2.9
273.12357	0.7
283.10748	14.0
283.91574	0.2
284.11148	0.3
301.07065	0.5
301.11813	16.6
301.21646	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.0
55.01869	6.3
55.05493	10.8
56.96567	25.6
57.03432	6.3
61.02910	7.8
65.03917	4.9
65.32803	3.2
67.05492	23.8
68.05864	3.1
68.99781	4.7
69.03436	23.1
69.07044	10.1
71.04977	10.1
71.16760	3.5
71.59942	4.6
72.28852	3.0
73.02903	3.6
79.05489	20.1
81.03398	8.1
81.07063	26.8
83.04975	8.4
83.08585	4.5
85.02902	34.1
85.06539	3.9
86.09675	4.9
91.05474	22.1
92.04989	3.3
92.05820	3.2
93.07048	28.2
94.07395	3.3
95.04948	13.5
95.08618	16.3
96.22849	3.6
97.02918	15.1
97.06524	7.7
97.10186	3.9
98.97586	13.4
99.04434	4.0
102.97049	2.9
105.07036	43.9
107.04949	87.0
107.08591	24.0
108.84563	3.4
109.02851	6.8
109.06486	8.6
109.10125	12.8
110.97595	3.0
111.08022	2.9
115.05420	5.4
115.55729	3.2
116.98621	20.4
116.99317	3.8
117.06997	7.4
118.86635	3.3
119.05008	3.1
119.08569	37.1
120.04464	4.0
121.06499	25.0
121.10166	16.7
122.06822	8.7
123.08046	3.6
123.11705	6.5
125.09605	7.2
127.03905	6.6
128.06190	5.5
129.07043	4.8
131.08571	16.7
133.06436	6.9
133.10130	17.3
134.99646	17.5
135.08031	11.3
135.11687	8.0
136.07629	5.0
137.05937	3.6
137.09618	4.0
142.07690	3.4
143.08574	14.9
145.10106	28.8
146.99655	7.8
147.08031	5.5
147.11649	12.0
149.09592	6.0
153.01857	6.0
153.06976	6.2
155.08476	4.9
157.10107	14.2
158.99617	4.4
159.08035	5.1
159.11743	19.0
161.01242	6.8
161.09554	5.7
161.13251	3.5
162.05464	4.5
163.11194	6.3
165.06992	8.0
167.07158	5.8
167.08525	4.5
168.08180	5.6
169.10106	6.1
170.08386	3.7
171.11707	8.8
173.09619	12.2
173.13300	4.1
175.11171	5.6
175.14777	4.2
177.00670	7.5
177.05438	4.9
181.04993	7.2
181.06465	7.2
184.09950	4.3
185.10811	3.6
185.13173	3.7
187.08733	3.5
187.11131	8.0
187.14803	5.1
189.05495	3.9
195.06586	16.0
195.08148	4.5
197.13286	8.7
198.07863	12.9
199.12372	7.1
199.14896	4.9
207.01743	6.0
210.09073	6.1
211.08617	8.5
212.07173	3.2
212.09151	15.1
213.10214	12.5
215.10693	3.4
215.14325	3.9
217.04991	9.2
225.02750	4.2
225.06525	4.2
226.06732	66.8
226.56926	10.2
227.07565	3.4
227.11780	25.9
227.14024	5.4
235.07225	7.8
239.08165	7.0
240.08969	15.1
241.09781	58.5
245.04379	13.6
246.58136	5.7
247.06259	5.4
249.02757	5.2
255.11284	100.0
255.21173	5.6
256.09683	9.9
257.12985	4.9
258.05228	11.7
265.07477	16.4
265.19565	5.9
267.03574	5.5
269.04309	5.2
273.03882	16.0
279.09207	3.5
283.10776	87.6
283.20679	14.8
285.03604	4.4
286.04648	22.8
289.07468	4.6
301.03409	26.2
301.07031	51.8
301.11115	31.2
301.21844	40.4
302.04187	3.5
302.18314	3.8
317.06577	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1071
Annotation	(-)-Variabilin
Peak:m/z	Relative Intensity
53.03936	1.1
55.01857	0.5
55.05506	1.9
56.96551	0.5
57.03425	1.1
63.18351	0.3
65.03911	0.4
66.89879	0.3
67.05170	0.4
67.05505	5.3
69.03442	0.6
69.07075	2.4
69.63811	2.1
71.05000	2.9
73.24596	0.3
79.05492	3.8
81.03406	0.5
81.07058	8.2
83.04998	0.6
83.08615	0.9
84.08140	0.4
85.06530	0.5
86.09692	0.4
91.05473	4.4
93.07043	6.3
95.04966	2.8
95.08608	4.1
97.06556	0.9
97.10172	0.6
98.97598	0.9
99.08079	0.4
99.94541	0.3
104.93299	0.3
105.07032	5.7
107.04954	100.0
107.08587	4.1
108.05300	0.6
109.06512	0.7
109.10139	2.7
115.05452	0.4
116.98590	0.8
117.07031	1.3
119.08582	5.2
121.06483	1.8
121.10149	3.3
122.03644	0.4
123.08029	0.5
123.11707	1.2
125.09663	0.4
127.07584	0.4
128.06221	0.5
129.07022	0.5
130.07811	0.3
131.08585	3.2
133.10129	3.7
134.99596	0.4
135.08093	1.6
135.11707	1.3
137.05977	3.8
137.09610	1.0
139.07515	1.4
140.14371	0.9
141.06972	0.4
142.07776	0.4
143.08591	1.4
145.10120	4.1
147.04382	0.6
147.11693	2.2
149.01210	0.4
149.06017	1.4
149.09616	0.8
149.13271	1.1
151.07558	0.3
151.11191	0.9
152.06194	0.5
153.01833	0.7
153.06999	0.4
157.10085	1.9
159.11693	4.0
160.12434	0.4
161.05945	0.4
161.09645	0.9
161.13304	0.9
163.11159	0.4
165.07013	0.5
165.12779	0.4
167.07036	1.6
167.08424	0.5
169.10146	0.5
171.11711	1.3
173.09628	0.8
173.13235	1.3
175.11238	0.9
175.14859	0.6
177.05458	2.9
177.06906	0.4
177.12756	1.0
179.08673	0.4
181.05002	0.8
181.06512	0.8
183.11658	0.4
183.13866	0.5
185.13275	1.0
187.13292	0.5
187.14874	1.0
189.12791	0.4
189.16432	0.3
191.10664	0.4
193.16110	0.4
195.06528	22.5
197.05844	0.5
197.13319	0.6
198.06738	0.4
199.14854	1.2
201.16374	0.5
203.10692	0.3
203.14249	0.5
205.12221	0.4
211.70387	0.3
213.16351	0.6
215.14421	0.4
217.05003	0.6
219.01820	0.3
223.07585	0.8
223.14772	0.3
225.16360	0.3
227.11858	0.7
227.14247	0.4
227.17905	0.6
228.56856	0.3
237.02861	0.9
241.08746	0.7
241.15939	0.4
245.04466	0.9
255.06679	0.4
255.11240	1.3
255.21098	1.0
269.08075	0.3
269.17590	0.9
273.04041	0.6
283.09650	0.3
283.20511	1.6
286.04895	0.9
301.03458	1.4
301.07123	3.1
301.10776	10.7
301.14282	0.6
301.21786	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	301.1071
Annotation	(-)-Variabilin
Peak:m/z	Relative Intensity
51.02372	0.3
53.03943	0.9
69.29573	1.6
72.08129	0.2
74.07283	0.1
77.03924	0.3
78.04726	0.2
79.05499	1.4
81.07085	0.2
85.01162	0.2
91.05467	0.7
93.07019	0.2
95.04973	1.8
96.08144	0.2
98.20675	0.3
104.63082	0.1
105.04536	0.2
106.04124	0.2
107.04955	100.0
108.05287	0.9
109.10214	0.1
113.04221	0.4
121.06505	24.3
122.06763	0.2
134.99643	0.2
139.07544	1.0
147.04437	0.2
149.05956	0.8
156.08485	0.3
156.29927	0.2
161.06084	0.2
167.06995	1.5
177.05492	2.9
178.05901	0.2
181.04999	0.6
195.06532	21.8
196.06883	0.2
234.34752	0.2
301.03549	0.3
301.07178	0.5
301.10693	8.1
301.15851	0.3
301.21613	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.107
Annotation	(-)-Variabilin
Peak:m/z	Relative Intensity
51.02376	0.3
53.03936	0.9
55.01867	0.2
55.05497	0.7
56.96549	0.3
57.03425	0.2
65.03941	0.3
67.05507	1.3
68.99759	0.4
69.07058	0.7
71.04983	0.6
71.14333	0.4
71.14706	0.3
72.76740	0.2
73.28150	0.2
79.05484	1.9
81.07048	2.0
83.04980	0.3
83.08602	0.3
85.06512	0.2
91.05473	1.2
93.07025	1.3
95.04974	2.2
95.08626	1.3
97.06493	0.3
97.10179	0.3
105.04508	0.3
105.07008	1.4
107.04948	100.0
107.08579	0.9
108.05279	0.8
109.06487	0.5
109.10126	0.8
115.11198	0.2
117.07027	0.4
119.04919	0.3
119.08576	1.6
121.06516	1.1
121.10150	0.8
122.94187	0.2
123.11690	0.5
124.01549	0.3
129.06979	0.4
131.08557	0.8
133.10127	0.9
134.03633	0.8
135.04445	0.2
135.08049	0.5
135.11639	0.5
137.06017	0.2
139.07550	0.9
141.06999	0.2
143.07114	0.2
143.08519	0.4
145.10106	1.1
147.04474	0.2
147.08051	0.2
147.11723	0.4
149.02377	0.3
149.05989	1.0
149.09593	0.4
149.13240	0.3
151.11142	0.2
153.01836	2.4
157.10132	0.4
159.11687	0.8
161.09679	0.3
163.11223	0.3
167.07024	1.8
170.02100	0.3
171.11702	0.4
173.13283	0.3
175.11232	0.5
177.05469	2.7
181.04973	0.8
181.06441	0.3
184.10025	0.2
185.13342	0.3
187.00778	0.2
195.06520	23.9
196.06868	0.3
197.00209	0.2
197.13281	0.2
198.07927	0.3
199.14917	0.3
211.08769	0.3
212.09433	0.7
213.05453	0.6
213.10333	0.4
217.04890	0.5
227.11804	0.9
229.05006	0.6
237.10367	0.3
240.08913	0.4
241.04889	1.7
241.09941	1.3
245.08141	0.3
255.11272	3.3
256.09610	0.6
258.05234	0.6
269.04459	1.5
269.07504	0.2
273.04007	0.3
283.10815	2.4
283.20740	0.5
285.03894	1.4
286.04645	2.7
286.07770	0.3
301.03644	0.4
301.07092	11.0
301.10764	9.4
301.21594	1.9
301.25418	0.7
302.07428	0.6
302.10480	0.9
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	(-)-Variabilin
Peak:m/z	Relative Intensity
51.02361	0.2
53.03933	0.7
55.01861	0.3
55.05491	0.7
56.96552	0.3
65.03934	0.4
67.05495	0.9
68.99769	0.3
69.03389	0.2
69.07052	0.5
69.69831	0.2
70.84662	0.2
70.85027	0.4
71.04979	0.4
77.03897	0.4
79.05490	2.0
79.26879	0.1
81.03416	0.3
81.07060	1.4
83.04957	0.3
83.08608	0.3
91.05468	0.8
93.07059	1.3
93.36781	0.2
95.04964	1.7
95.08580	0.9
97.06500	0.3
104.93178	0.2
105.03436	0.3
105.04491	0.3
105.07035	1.0
107.04948	100.0
107.08558	0.8
107.67996	0.2
108.05265	0.8
109.06521	0.4
109.10135	0.5
111.08057	0.3
115.05432	0.2
117.07018	0.3
119.04885	0.2
119.08562	1.4
121.06487	1.7
121.10136	0.5
123.08087	0.2
124.01649	0.4
128.06273	0.2
129.07030	0.3
131.08549	0.5
133.06551	0.2
133.10098	0.7
134.03624	1.3
135.08055	0.4
135.11679	0.3
139.07509	1.0
141.07019	0.3
143.08592	0.3
145.10144	0.7
145.28590	0.2
147.04367	0.2
149.02348	0.7
149.05972	1.2
149.09660	0.2
151.11139	0.2
153.01820	3.0
157.06438	0.3
157.10124	0.5
159.11714	0.6
161.05879	0.2
161.13315	0.2
167.07021	2.2
167.08423	0.3
170.02083	0.6
171.11719	0.3
173.13336	0.3
177.05473	3.2
179.03508	0.2
181.04970	0.5
181.06493	0.4
183.09218	0.2
187.14792	0.2
195.06522	21.7
196.06917	0.3
197.05960	0.3
197.13269	0.2
199.12259	0.4
199.14909	0.2
201.16420	0.2
210.09129	0.2
211.08748	0.4
212.09438	0.4
213.05496	0.8
213.10300	0.4
217.05026	0.3
226.07338	0.4
227.11781	1.0
229.05013	0.8
237.10251	0.3
240.08963	0.4
241.04955	2.4
241.09787	2.0
242.05441	0.3
245.08136	0.6
255.11273	3.9
256.09659	0.2
258.05246	0.6
269.04404	1.9
283.10779	3.1
283.20462	0.4
285.03891	1.9
286.04663	3.3
286.07639	0.2
301.03592	0.5
301.07089	13.6
301.10767	6.9
301.21616	1.8
301.25571	0.6
302.07373	0.4
302.10501	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0708
Annotation	Koparin
Peak:m/z	Relative Intensity
51.03643	0.2
53.03931	0.3
55.05498	1.0
56.96547	0.5
57.07070	0.3
60.25025	0.2
65.03927	0.3
66.01062	0.3
67.05505	2.5
68.99776	1.4
69.03441	0.4
69.07053	0.9
70.65735	0.9
71.04977	0.8
71.46354	0.3
74.34001	0.2
79.05493	1.3
81.03421	0.4
81.07066	3.3
82.70354	0.3
83.04976	0.4
83.08587	0.5
85.02921	0.3
85.06529	0.4
89.03897	0.6
91.05482	1.7
92.78049	0.3
93.07043	2.6
94.67358	0.3
95.01340	0.3
95.04943	1.0
95.08610	2.5
97.02928	0.3
97.06502	0.5
97.10167	0.4
98.97593	0.4
105.03378	0.7
105.07037	2.4
106.04166	0.4
107.04272	0.4
107.04958	4.9
107.08624	1.8
109.02872	0.3
109.06508	0.6
109.10172	1.6
115.05472	0.6
117.03337	0.3
117.07056	0.7
119.04921	0.3
119.08573	2.3
121.02876	0.6
121.06509	1.1
121.10161	1.3
123.04431	0.8
123.08054	0.4
123.11662	0.7
124.01562	2.5
126.03150	0.3
128.06244	0.4
129.07025	0.9
131.08539	1.3
133.06488	0.3
133.10147	1.2
134.03636	7.9
135.04506	0.3
135.08060	1.0
135.11742	0.5
137.02330	0.7
137.09650	0.3
141.06972	0.5
143.04924	0.3
143.08542	0.4
145.06454	0.6
145.10127	2.2
146.03648	0.4
147.04443	0.5
147.11646	0.8
149.02332	2.4
149.05968	0.6
149.13281	0.5
150.40405	0.3
151.03868	0.3
151.11192	0.3
152.01042	0.8
153.01830	22.3
155.04828	0.3
155.08519	0.4
157.06502	1.0
157.10129	0.8
159.08035	0.3
159.11749	1.4
161.02380	0.4
161.06018	0.4
161.09665	0.5
161.13301	0.5
163.03923	0.4
165.06911	0.3
167.03345	0.4
169.06473	0.6
170.02089	2.8
171.04419	0.4
171.11646	0.4
173.13255	0.6
175.03900	1.2
175.11169	0.6
177.12686	0.5
179.03424	0.8
181.04965	0.6
181.06438	0.6
184.05206	0.9
185.05920	1.2
187.11179	0.3
187.14819	0.5
189.05466	0.4
195.06517	1.0
197.05951	1.0
197.13248	0.3
199.03905	0.6
199.14763	0.5
201.05525	0.5
202.06256	0.5
203.03415	0.4
210.09163	0.4
212.04730	1.1
213.05467	5.4
213.16318	0.2
215.14336	0.5
217.04961	0.9
227.03415	0.5
227.06964	0.6
227.11736	1.3
229.04964	5.0
230.05756	1.5
240.04173	1.0
240.08846	0.3
241.04951	15.6
242.05336	0.4
242.10501	0.3
242.18390	0.4
245.08092	3.5
255.06624	0.5
255.11287	3.9
255.20981	0.3
257.04459	1.0
258.05234	6.6
268.03711	0.5
269.04453	11.8
273.04230	0.4
273.07596	1.0
283.05966	0.5
283.10950	0.6
283.20541	1.1
285.03946	11.5
286.04709	22.1
287.05109	0.5
301.07068	100.0
301.21725	4.7
302.07401	3.4
323.64261	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0892
Annotation	59-43-8
Peak:m/z	Relative Intensity
56.96558	1.1
70.06593	0.4
70.53831	0.9
84.08121	0.6
94.06558	0.6
96.40505	0.3
103.83865	0.3
110.18951	0.4
119.01911	0.8
131.01900	1.1
138.09152	1.7
139.03703	0.4
139.09467	1.2
141.06453	1.0
142.60225	0.3
145.03445	0.6
152.05685	0.8
155.01952	0.5
157.03456	0.7
169.05852	0.4
173.02991	1.1
175.04453	0.3
187.04520	0.8
199.04529	1.2
217.05463	0.5
221.05005	1.2
222.68900	0.4
232.65579	0.4
237.05429	0.4
271.06659	1.1
283.06000	0.4
289.07697	3.9
301.08939	100.0
302.09363	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1071
Annotation	(-)-Variabilin
Peak:m/z	Relative Intensity
53.03941	0.8
55.01870	1.2
55.05514	1.7
56.96553	1.3
57.03433	1.1
57.83860	0.3
61.45898	0.3
65.03960	0.4
67.05511	2.9
68.99786	0.7
69.03421	1.1
69.07074	1.3
71.04987	1.3
71.59418	0.4
75.42075	0.3
79.05494	3.0
81.03421	1.4
81.07062	2.8
83.04978	0.8
83.08627	0.8
84.08121	0.4
85.02892	1.2
85.06582	0.5
86.09712	2.0
91.05481	2.8
93.07053	3.5
95.04980	3.0
95.08604	2.4
97.02909	0.7
97.06537	1.2
98.97594	1.9
99.04469	0.4
103.05466	0.4
105.04465	0.5
105.07028	3.8
107.04958	100.0
107.08601	2.9
108.05285	0.9
109.02910	0.4
109.06505	1.0
109.10159	1.9
111.04451	1.0
111.08080	1.4
116.98630	1.3
117.07008	1.2
117.61634	0.3
119.04978	0.9
119.08588	4.4
121.06506	1.9
121.10161	2.1
123.08078	0.7
123.11659	0.3
124.05272	0.4
125.09638	0.5
128.06194	0.3
128.98700	0.5
129.06976	0.4
131.08568	1.5
133.06509	0.5
133.10121	1.4
134.99673	1.1
135.08054	1.7
135.11690	0.9
137.05980	0.6
137.09660	0.4
137.92363	0.4
139.07532	1.5
143.08559	0.8
145.06532	0.4
145.10104	3.0
147.08044	0.5
147.11693	1.0
149.05971	1.3
149.09605	0.5
151.11153	0.4
153.01958	0.3
153.07008	1.0
155.08534	0.5
157.10149	1.2
158.07254	0.4
159.08124	0.5
159.11679	1.6
161.09622	0.9
163.03958	0.4
163.11203	1.2
164.11580	0.3
165.06941	0.5
167.07047	2.1
167.08495	0.7
169.10152	0.4
173.09637	0.9
173.13339	0.9
175.11269	0.9
175.14922	0.4
177.00740	0.7
177.05466	2.7
179.07074	0.4
181.05116	0.7
181.06509	0.8
181.12344	0.5
185.13217	0.4
189.05524	0.6
189.09001	0.3
189.12759	0.5
191.10648	0.6
195.06544	19.6
197.13274	1.0
198.06705	0.5
199.11177	0.4
199.14894	0.4
203.14282	0.7
206.02847	0.3
211.14754	0.3
213.12688	0.5
215.14391	0.5
217.04941	1.5
226.06552	1.3
235.07375	0.6
237.02792	1.0
241.08571	0.7
245.04422	1.1
255.11343	1.3
255.21312	0.5
258.05234	0.8
265.07361	0.4
265.19580	0.4
269.08002	0.4
273.03995	0.9
283.20609	1.1
286.04605	0.8
301.03470	2.7
301.07098	3.5
301.10794	10.6
301.16351	0.8
301.21704	5.2
319.10684	0.9
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
55.01855	0.4
55.05503	0.6
57.03429	0.2
61.43290	0.2
62.90824	0.2
63.14546	0.2
67.01859	0.3
67.05492	1.2
68.99785	1.5
69.07068	0.4
69.81770	0.2
70.04060	0.2
71.04980	0.8
71.47195	0.4
79.05476	0.6
81.07066	1.6
85.06526	0.3
86.09692	0.3
89.03928	0.7
91.05468	1.1
93.07065	1.2
95.04942	0.6
95.08601	0.9
105.03377	0.8
105.07042	1.1
107.04973	0.7
107.08585	0.9
109.06453	0.4
109.10141	0.5
111.00768	0.4
115.05452	0.4
117.03373	0.3
117.07015	0.4
119.04952	0.5
119.08569	1.0
121.02866	0.6
121.06524	0.5
121.10146	0.5
123.04427	0.7
123.11734	0.3
124.01566	3.6
128.06221	0.4
129.06984	0.8
131.04901	0.6
131.08617	0.5
133.02826	0.3
133.10106	0.8
134.03627	8.7
135.04417	0.4
135.11661	0.6
137.02351	0.4
141.06955	0.5
143.04874	0.4
143.08589	0.2
145.06465	0.5
145.10118	0.5
147.04384	0.4
149.02342	2.8
149.05995	0.8
149.13271	0.4
150.03075	0.2
151.03966	0.3
151.11246	0.3
152.01070	1.1
153.01825	23.0
157.06499	1.3
159.11700	0.5
161.02370	0.4
161.05927	0.4
161.09572	0.5
161.13165	0.4
163.03883	0.5
169.06380	0.6
170.02101	3.6
171.04428	0.8
175.03912	0.9
177.05594	0.3
179.03371	1.1
181.10204	0.2
184.05199	0.6
185.06020	1.0
188.21497	0.3
189.05363	0.6
195.02831	0.2
197.05946	0.9
197.13248	0.3
199.03960	0.8
200.04399	0.3
201.05515	0.7
202.06181	0.6
203.03384	0.3
212.04672	0.6
213.05463	6.9
217.04953	0.7
227.03481	0.4
227.07031	0.5
227.17865	0.2
229.04964	5.2
230.05731	1.6
240.04076	1.4
241.04948	15.1
242.05466	0.4
245.08069	3.6
255.06461	0.3
255.11215	0.7
257.04453	1.0
258.05243	5.9
268.03714	0.8
269.04440	12.5
270.04852	0.6
273.07477	0.8
283.05923	0.5
283.20398	0.2
285.03937	12.5
286.04697	20.9
287.04980	0.5
301.07059	100.0
301.21591	1.3
302.07355	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	301.0706
Annotation	Koparin
Peak:m/z	Relative Intensity
53.03938	0.4
55.01873	0.4
55.05509	0.5
67.01861	1.1
67.05484	0.7
68.99793	0.5
69.03436	0.3
69.07053	0.5
69.63715	2.0
77.03889	0.3
79.05477	0.9
81.03404	0.7
81.07044	1.6
83.04958	0.5
86.06035	0.3
89.03898	1.1
91.05460	0.9
93.07034	1.0
94.81765	0.3
95.04943	1.0
95.08588	1.2
97.06501	0.3
98.20779	0.4
105.03398	2.9
105.07022	1.4
107.04948	2.8
107.08575	0.7
109.06522	0.3
109.10139	0.6
111.04456	1.2
115.53526	0.3
116.27419	0.3
118.04129	0.3
119.04920	0.6
119.08566	1.3
121.06511	0.6
121.10136	0.4
123.04414	1.2
123.08118	0.3
123.11673	0.3
125.02304	0.4
126.80714	0.3
128.06244	0.4
129.03346	1.2
129.06992	0.5
131.08578	0.7
133.02827	0.3
133.06497	0.5
133.10162	0.5
134.03674	0.4
135.04395	2.6
135.08054	0.5
135.11679	0.3
137.02328	0.5
139.05397	0.5
141.06929	0.5
143.08548	0.9
145.06519	0.4
145.10150	0.8
147.04414	0.9
149.02353	0.4
151.03928	0.8
156.05672	0.5
157.02950	0.5
157.06531	0.3
157.10149	0.5
158.07329	0.3
159.08112	0.4
159.11690	0.7
161.02330	4.7
161.05956	1.1
161.09648	0.6
163.03906	5.4
167.03400	27.2
168.03729	0.5
168.05667	0.7
171.04358	0.6
171.08073	1.4
173.09654	0.4
173.13251	0.4
174.06754	0.6
175.03888	1.3
175.07552	0.6
177.05464	0.8
179.03397	0.6
181.04964	0.3
184.05168	2.4
185.04463	0.5
185.06001	1.1
188.04648	0.3
189.09070	0.9
193.04985	0.6
196.05254	0.6
197.04491	0.5
197.06253	0.4
199.07576	2.4
202.06244	1.2
203.03346	0.6
203.07030	0.9
205.04938	1.0
211.07532	0.7
212.04733	2.6
213.05301	0.4
217.08562	2.4
227.07027	6.0
230.05745	2.0
231.06543	1.7
237.03769	0.5
240.04178	4.7
243.51120	0.3
244.06984	0.3
245.08099	10.9
246.08496	0.3
255.06529	11.9
255.10918	0.4
258.05243	1.2
268.03723	1.0
269.08078	0.4
273.07547	2.5
283.05966	3.2
283.20490	0.4
286.04556	1.4
301.07059	100.0
301.21561	2.2
302.07431	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.3
56.05030	1.7
56.96571	1.4
60.04529	1.5
63.20684	0.9
65.15186	0.9
68.05025	1.0
69.76476	2.0
69.76881	3.3
70.06594	9.8
71.01357	1.5
72.04500	1.8
72.08144	2.0
74.02451	1.0
80.05032	0.9
81.03423	2.4
82.02929	0.8
82.06549	1.0
83.04945	1.1
83.06101	1.1
84.04510	11.0
84.08141	2.4
85.06596	1.0
86.09700	2.6
92.35367	0.9
96.04494	3.3
97.02908	1.9
98.06055	6.5
99.05573	2.4
109.05108	1.0
110.06026	1.5
113.83302	1.0
114.05548	4.1
116.07127	1.5
117.19859	1.0
120.04492	2.2
120.08038	1.5
123.06605	0.9
129.06558	1.5
130.04996	6.5
133.05116	2.2
136.06186	100.0
136.70113	1.3
137.04562	1.0
137.07114	1.9
138.05463	2.3
138.09148	1.9
145.53221	0.9
146.04471	3.1
150.07765	1.6
151.06137	4.6
152.05664	1.9
153.06602	0.9
155.08145	2.7
157.09711	2.4
164.05659	5.2
168.08812	8.6
178.07249	18.7
178.08727	1.3
185.09233	1.6
227.09982	1.1
243.09721	1.6
252.07347	3.0
300.09341	3.8
300.12863	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71548	0.9
55.01864	2.2
55.05511	1.6
55.50202	1.1
56.05043	0.9
56.96562	1.4
57.03444	1.1
60.04534	1.4
67.05514	1.4
68.05032	1.1
68.99774	1.2
69.03429	1.8
69.07050	3.1
69.67462	7.0
70.06593	71.2
72.08149	5.0
81.03401	3.0
81.07051	1.2
82.06582	1.4
83.04972	1.3
84.04497	3.9
84.08140	7.6
86.09708	74.7
88.04004	1.2
91.05447	1.0
93.07070	1.1
98.97585	1.1
99.04394	1.1
99.05581	1.4
110.06032	1.7
110.07188	1.6
111.03662	0.9
116.07093	100.0
119.04995	1.5
121.06493	1.6
129.10228	2.9
130.06548	2.4
130.08601	1.3
132.10162	1.4
134.99561	1.3
136.05067	0.9
136.06119	1.1
137.05986	1.0
138.05487	1.6
141.10219	4.4
147.04408	2.9
151.03949	0.9
157.07571	1.8
157.13368	33.9
161.67908	1.0
167.07066	1.1
169.09741	5.1
177.61923	1.0
179.07021	4.3
185.12872	10.8
190.62376	1.0
203.13887	1.1
221.05193	1.0
229.15536	2.7
254.10251	1.3
255.11224	1.1
300.10495	1.9
300.13620	1.6
300.18945	2.9
301.03442	3.6
301.07138	2.2
301.12408	6.3
314.72202	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0341
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
52.71842	0.7
55.01859	0.9
55.05511	0.9
58.05197	0.7
65.03938	1.7
67.01848	1.8
67.05489	1.1
68.99431	0.9
68.99788	11.2
69.03419	0.9
69.07050	0.7
70.85050	1.8
79.05479	1.7
81.03415	0.9
81.07054	0.7
83.04983	0.6
84.59843	0.5
91.05460	1.7
91.06017	0.5
93.03378	0.7
93.07047	1.5
95.01327	0.6
95.04973	1.1
95.08570	0.9
103.05453	2.6
105.03368	1.8
105.07024	5.0
107.04948	19.4
109.02858	2.5
109.06517	0.5
109.10095	1.3
111.04421	1.1
115.05436	2.7
117.07064	0.7
119.04916	0.9
119.08599	1.4
121.02885	1.2
121.06506	3.8
121.10104	0.7
124.01571	0.8
131.04933	0.7
133.02835	1.5
133.06470	3.6
133.10150	0.8
135.08043	1.0
135.11632	0.9
137.02336	2.7
143.04860	1.4
144.08092	1.5
145.10185	1.1
147.04459	3.2
149.05972	1.4
151.03970	0.8
153.01828	3.5
155.03383	0.8
161.02324	0.8
161.05984	5.6
171.04404	4.9
175.03867	2.2
177.05444	1.3
189.05464	11.3
193.01306	0.9
193.04953	0.7
195.06526	4.3
199.03891	2.9
203.03354	4.3
216.04272	1.0
217.04950	56.7
218.05269	1.5
221.04352	0.9
226.06764	1.2
227.03343	2.1
228.04042	0.8
231.02902	1.0
245.04436	45.9
255.02869	1.4
255.11208	1.0
273.03909	51.9
274.04370	1.8
301.03418	100.0
301.21576	1.2
302.04065	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	300.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	2.4
58.13813	1.0
70.95856	1.3
71.01125	2.1
78.53181	0.9
95.15946	1.2
98.97578	19.1
116.98604	24.4
117.18710	1.0
119.01900	5.5
120.02034	2.7
121.01656	1.7
132.05060	3.5
134.99657	24.0
137.02950	3.4
139.02670	1.2
150.06093	2.7
153.00760	4.7
155.07027	2.8
156.07494	1.3
158.99826	1.3
162.06714	1.9
164.04640	1.4
166.06262	1.1
175.08105	1.1
176.08337	2.4
177.00955	32.1
178.00990	7.0
179.00691	10.6
179.02296	1.6
180.00748	1.0
182.99907	1.7
183.03337	1.0
186.06764	1.6
188.08310	2.0
190.06273	2.2
195.01953	1.3
200.02580	1.5
201.00951	3.4
203.02400	1.6
204.07832	1.3
205.00412	2.1
205.02290	1.9
208.96025	1.6
210.95903	5.3
214.04146	1.6
214.06137	1.6
218.03581	3.7
219.01991	100.0
220.02087	15.2
221.01735	10.6
222.01930	1.8
225.94641	1.6
230.05698	1.1
232.05122	1.8
234.95804	1.7
234.99825	2.0
236.99443	1.1
240.98833	2.4
241.02792	1.6
242.03564	1.9
249.51567	1.0
251.97780	1.1
252.96838	4.7
256.05157	3.0
258.03076	14.9
258.99554	12.5
260.02548	3.2
261.03055	4.0
262.03238	3.9
263.02859	12.0
267.95679	3.3
274.06235	4.2
275.97977	1.3
276.04193	10.5
276.96921	10.0
277.00821	30.6
278.01123	1.1
279.00903	2.1
282.03207	3.2
282.99997	2.2
294.97812	7.4
299.98077	1.9
300.04086	25.4
300.09802	22.5
301.01053	5.7
301.04092	1.7
317.98804	5.2
318.05145	7.2
318.11020	2.3
318.98541	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2003
Annotation	Angustanoic acid E
Peak:m/z	Relative Intensity
55.05494	3.6
56.96547	1.6
57.07069	1.0
63.57685	0.9
67.05488	5.1
69.07047	4.4
70.22583	4.9
70.95863	1.4
79.05486	4.5
81.07046	4.3
83.04979	1.9
83.08595	2.7
90.94804	1.1
91.05474	24.7
93.07031	6.4
94.69469	0.9
95.04939	1.7
95.08607	7.6
98.97569	1.5
101.45982	1.2
103.05479	1.5
105.06364	1.8
105.07016	15.5
107.04937	2.7
107.08585	8.7
109.06531	2.2
109.10127	2.8
115.05482	2.4
116.06194	5.8
116.98586	2.7
117.07009	2.3
119.04917	7.3
119.08566	16.4
121.06467	1.2
121.10125	5.5
123.08006	1.9
125.09649	3.5
128.06166	1.1
129.06972	9.4
131.08562	38.6
133.06474	1.5
133.10103	3.3
134.99638	2.8
135.08023	2.4
135.11652	1.6
137.09587	1.1
141.06981	1.1
142.07776	1.9
143.08537	4.4
144.60596	1.0
145.06458	1.1
145.10123	3.2
147.11656	2.2
149.09586	4.6
155.08563	2.1
156.09322	2.6
157.10103	5.1
159.08041	100.0
159.11696	3.0
160.08255	1.3
161.09550	2.3
161.13237	1.5
163.03839	1.7
163.17296	1.0
165.06985	1.7
169.10085	2.8
171.11667	5.1
175.11194	2.0
176.11810	1.1
181.10039	1.8
182.10925	1.6
183.11678	3.2
185.09673	1.4
189.09126	1.3
189.12767	3.5
192.09325	1.6
193.10057	1.6
195.11687	2.0
197.13205	4.6
199.11172	4.4
201.12727	2.5
205.10037	1.2
207.11646	2.6
211.11151	1.5
211.14809	1.7
213.12631	1.9
221.13268	1.7
223.14819	1.5
225.12744	4.1
233.13235	1.1
237.16356	1.2
239.14326	2.2
241.05197	1.4
243.10016	1.8
243.13922	3.2
248.15698	1.4
253.19495	1.2
255.06494	1.3
256.07117	1.2
257.18924	2.6
263.17984	2.5
273.07797	5.1
275.97775	1.7
281.18958	22.5
283.06009	3.9
284.06763	3.9
291.08881	1.1
293.98965	1.5
299.05807	2.0
299.09094	29.4
299.20029	36.2
300.09360	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	299.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
70.17130	33.4
70.17533	56.6
75.85645	17.1
83.89752	19.0
86.99886	16.4
98.20802	22.9
121.16091	17.3
168.85948	16.1
183.01665	71.6
184.00087	66.9
201.65405	17.0
281.05322	81.9
298.78287	16.3
299.06454	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0913
Annotation	2'-METHOXYFORMONETIN
Peak:m/z	Relative Intensity
51.37036	0.4
55.05510	0.7
56.96563	0.9
68.40778	0.4
69.07053	0.7
73.50632	0.4
79.05481	0.8
81.07043	0.8
84.31100	0.4
91.05462	0.7
95.04970	0.6
95.08644	0.7
98.20728	1.2
98.97583	1.6
103.05450	0.6
105.07029	0.9
107.04965	0.7
109.10117	0.5
116.98598	1.1
118.04160	1.8
119.08528	0.7
127.69651	0.4
131.04944	0.5
131.08549	0.4
133.06477	1.8
134.99632	1.3
135.04417	2.0
135.99971	0.6
137.02225	0.4
137.05965	3.5
138.02164	0.5
138.03105	2.5
153.00711	0.6
153.65175	0.4
155.03418	1.1
163.03876	7.3
166.02567	1.0
167.03404	5.0
168.05714	0.8
181.05037	0.6
183.08084	0.9
184.03658	6.4
184.09001	0.4
193.04932	0.8
197.06076	0.7
199.07404	0.5
200.08282	1.9
208.96227	0.4
210.06776	0.6
211.07474	2.3
212.08452	0.4
213.05548	1.0
215.10704	0.5
224.04724	0.8
227.06995	2.8
228.07811	1.7
229.40938	0.4
239.07098	0.7
240.07864	0.7
241.04959	1.6
243.10168	11.8
252.04121	0.7
252.96175	0.5
255.06531	3.9
256.07288	4.9
266.05789	0.6
267.06546	3.2
269.04507	2.7
271.09653	0.4
275.97916	0.8
283.06058	5.3
284.06760	11.0
285.07425	0.6
293.98788	0.8
299.09140	100.0
300.09531	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74166	1.0
51.11490	0.9
55.05515	2.1
56.96558	2.6
57.07056	0.9
57.15799	1.0
57.91639	1.0
57.98532	1.1
60.16015	1.1
65.17532	0.9
67.05474	0.9
69.87853	5.7
70.95853	3.2
83.04958	3.8
83.08617	1.0
87.12303	1.1
88.96938	0.9
98.20872	2.1
98.97578	6.7
99.04507	1.1
101.00843	1.8
103.02429	4.2
105.00401	1.1
109.07695	0.9
111.04413	1.8
111.54759	0.9
112.66980	1.0
113.05997	1.1
116.00235	0.9
116.98608	7.3
118.03450	0.9
119.01904	19.0
119.61676	0.9
120.02008	2.9
121.01646	1.3
121.03450	4.9
127.07528	1.1
134.99681	9.3
136.04555	1.0
137.02950	11.9
138.03053	1.2
143.05553	4.3
145.03470	5.2
147.05017	3.2
150.06087	1.7
153.00800	2.4
155.00612	1.0
155.07016	16.4
157.04559	1.3
157.07054	3.7
159.05008	3.4
161.06583	11.7
163.04488	8.8
165.06090	3.6
169.03465	1.3
169.07071	3.0
171.05034	3.6
173.06599	3.5
174.00812	1.4
174.97668	1.6
175.05699	2.2
175.08168	14.4
176.02313	1.1
176.99365	1.7
177.00943	32.2
178.01042	8.8
179.00673	11.2
180.00934	1.2
182.99875	1.7
183.08597	1.1
185.06590	9.5
186.94133	1.0
187.04550	1.2
187.08148	15.9
189.06061	18.0
192.98692	2.8
195.02011	1.7
195.04961	2.3
201.00903	1.8
201.09688	2.7
203.00671	1.1
203.02505	2.6
203.07584	5.0
204.02486	1.1
205.00322	1.0
205.05637	2.1
207.07007	1.4
208.95966	3.8
209.96046	3.9
210.95789	1.8
211.04503	4.3
211.08165	1.7
213.06140	7.0
213.09650	4.9
218.03517	4.7
219.01997	78.7
220.02084	12.4
221.01790	13.6
222.01932	1.6
229.05614	4.8
231.07127	5.1
231.10808	2.0
232.96440	1.5
233.01715	2.0
233.96042	2.0
234.95607	1.6
234.99794	3.0
236.00014	1.7
237.06065	2.0
242.03619	1.6
243.01930	1.3
250.97510	2.9
251.97084	5.1
252.96956	2.9
255.07079	4.2
255.10695	5.1
256.97458	1.5
257.04868	1.4
257.08731	5.9
258.03131	7.5
258.99667	5.0
259.03391	1.0
260.00153	1.4
260.04938	1.6
261.02975	12.8
262.03204	12.3
263.02872	3.5
274.06497	1.7
274.97540	5.6
275.05450	1.4
275.09763	1.3
275.97165	13.3
276.04266	12.7
276.96964	3.6
277.00851	10.2
278.01028	1.5
279.00604	1.2
281.04837	1.8
292.98672	2.8
293.98126	7.6
294.98032	3.3
298.97998	5.6
299.05838	12.0
299.09726	100.0
299.97882	1.2
300.04276	6.7
300.09943	4.0
316.98749	12.5
317.02032	1.3
317.07162	2.2
317.10745	11.8
317.98926	1.9
318.05167	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0968
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
54.03438	0.2
61.01140	4.4
68.37601	0.2
69.03426	0.4
70.10468	0.6
70.10869	0.3
75.02703	2.7
82.23730	0.2
94.04048	0.5
97.02879	1.5
98.21429	0.2
103.02161	0.3
119.03539	0.9
136.06177	100.0
137.04552	0.7
137.06555	0.6
145.03178	1.4
163.04213	0.9
298.09656	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	298.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	14.5
56.96561	9.0
57.03432	4.5
60.04526	3.2
61.01140	5.9
61.58759	2.4
67.05513	2.4
69.03426	6.8
69.07070	3.4
69.59543	6.8
69.59966	11.2
70.02972	2.7
70.06581	6.7
72.08160	3.5
73.06551	4.9
75.02683	3.0
80.04993	3.5
81.03414	6.6
81.04549	3.5
82.06586	6.5
83.04974	4.2
83.06084	2.7
84.04503	6.8
84.08144	5.4
85.02898	12.1
85.06601	2.8
85.62286	2.4
86.09711	3.7
88.33078	2.3
91.05453	2.7
96.04515	3.3
97.02889	5.7
98.97566	3.0
101.05368	4.8
101.06014	75.7
116.98646	2.5
119.07048	27.8
124.03938	46.4
127.03951	3.0
134.99658	4.9
135.04408	2.8
135.08223	2.5
136.06183	100.0
136.09698	7.3
142.08641	2.2
163.04021	4.8
171.07686	4.8
193.10880	9.0
199.07190	6.7
224.10748	3.3
239.11365	12.2
293.57156	2.4
298.09320	11.8
316.66675	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	298.2742
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
51.83237	2.0
54.12022	2.0
55.05513	17.8
56.05032	6.9
56.96558	4.1
57.07061	5.7
60.04512	4.9
62.84636	2.0
63.75552	1.9
67.05501	20.8
68.05017	3.9
69.07062	15.4
69.29018	19.1
69.29446	5.5
71.08625	3.1
73.32761	2.0
79.05492	13.5
80.05008	3.7
81.07056	15.7
82.06568	8.4
82.86096	2.2
83.08608	8.9
84.34309	2.5
86.06059	4.1
90.18297	2.4
91.05466	10.8
93.07037	9.3
95.08583	10.1
96.08134	3.4
97.10136	3.9
98.97578	25.5
100.48300	2.4
103.18264	2.0
103.42371	2.0
105.07016	3.1
107.08578	4.3
109.10125	5.8
109.60728	2.1
116.98616	21.4
119.08589	3.9
121.10129	3.8
123.11673	2.4
134.99667	17.1
153.00745	3.6
154.12233	2.4
158.70461	2.1
187.95364	2.3
189.16173	2.3
212.97279	2.9
217.58522	2.8
228.94553	2.2
250.25290	8.0
256.96350	2.9
262.25385	6.0
274.31543	2.4
274.97491	21.5
280.26355	100.0
292.98541	28.1
297.99170	3.1
299.09155	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	299.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27138	3.6
55.41319	4.2
55.49085	3.4
67.04572	4.1
69.63830	3.3
70.16739	17.7
88.87004	3.6
110.69209	3.7
152.97125	3.8
154.02672	10.9
183.00137	6.0
183.01669	72.5
184.00041	48.9
199.70480	3.8
281.05338	77.7
299.06372	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	38.9
67.06453	6.0
68.46791	6.2
69.96949	18.0
69.97337	19.2
79.56442	8.5
83.97607	9.1
100.55138	6.8
109.99152	36.6
128.00200	99.0
128.98642	6.8
129.98093	15.6
133.78041	7.0
146.01253	95.5
147.99187	7.8
155.01320	34.0
164.02298	26.6
173.01135	8.9
173.02386	100.0
183.01660	26.5
184.00047	11.1
191.03352	19.7
195.56500	8.0
201.01859	12.0
207.83224	6.7
219.02867	48.0
237.03963	41.9
253.04961	14.4
275.49823	8.0
281.04803	42.4
290.04932	8.4
299.05963	44.7
317.06595	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	297.2422
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.03927	2.8
55.05508	100.0
57.07078	4.6
67.05499	17.0
69.07056	13.7
69.62496	19.2
71.04987	6.7
71.08624	10.8
73.00299	2.6
79.05495	11.4
80.57034	2.5
81.07056	35.6
83.04961	3.6
83.08613	65.5
85.06535	5.2
89.58778	2.7
91.05467	12.0
93.07045	10.0
95.08604	28.9
97.06536	10.6
97.10139	5.1
98.20808	4.3
98.97585	3.2
99.08096	11.9
105.07067	12.9
107.08606	7.6
109.10142	8.2
113.09640	2.7
116.98635	5.6
117.07020	2.8
119.08559	10.1
121.10145	8.0
133.10146	8.1
134.99661	8.2
135.11688	6.8
136.06133	2.8
147.11679	6.5
149.13191	2.8
161.13243	20.7
179.14307	16.3
197.15292	12.8
274.97601	10.2
279.23233	9.2
292.98251	6.0
296.32593	2.8
297.24557	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	297.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	10.1
55.01861	12.7
55.05497	15.4
57.03434	27.4
60.91359	4.0
61.02909	14.5
65.03942	3.5
67.05503	41.8
69.03427	50.7
69.07060	14.5
69.77865	24.8
71.01334	4.6
71.04982	15.9
73.02901	12.4
76.47192	3.6
79.05486	37.6
81.03413	32.3
81.07063	56.9
83.04970	13.2
84.58767	4.2
85.02902	75.8
85.06513	5.5
85.47683	3.5
91.03902	4.9
91.05479	42.6
93.06461	6.4
93.07043	100.0
95.04964	32.1
95.08603	37.5
97.02876	39.2
97.06527	14.4
99.04462	18.1
103.03914	9.7
105.06393	5.0
105.07036	70.9
107.04955	8.7
107.08588	86.3
109.02872	7.6
109.06495	15.5
109.10158	32.3
111.04417	12.1
111.08097	6.5
115.03924	3.9
117.07005	17.0
117.28915	3.4
119.08584	47.0
121.06540	10.1
121.10146	70.3
123.04399	9.0
123.08056	8.3
123.11682	11.3
127.03896	16.2
128.06238	5.2
129.06975	11.4
131.08562	25.3
133.06480	8.5
133.10107	44.6
135.08002	11.1
135.11687	81.9
136.06152	8.3
137.05890	4.0
137.09628	9.9
137.13246	4.0
141.06982	5.7
142.07764	5.2
143.08548	12.7
145.04935	10.2
145.06537	6.6
145.10088	23.1
147.08015	11.6
147.11693	32.4
149.09503	5.0
149.13249	9.0
151.11160	14.1
153.12715	11.8
155.08548	6.1
157.06479	3.5
157.10118	14.0
159.08058	6.4
159.11665	25.7
161.13268	11.6
163.11211	13.3
165.12741	11.1
169.10068	4.8
171.11731	7.9
173.09537	8.7
173.13275	8.1
175.11203	8.5
177.12700	19.2
189.12750	12.7
193.12308	4.2
197.13254	4.7
199.11269	3.8
201.12735	10.6
219.13834	13.3
225.12923	4.7
231.13850	13.2
233.15491	3.8
243.13792	18.3
249.14851	4.1
261.14761	29.9
279.15933	30.3
297.16943	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99477	0.6
53.03937	2.8
55.01865	5.4
55.05257	1.1
55.05507	14.3
56.96553	1.6
57.03416	1.0
57.07067	1.2
59.04996	1.4
59.33845	0.6
62.92946	0.7
67.05498	5.4
69.03426	47.1
69.07064	35.7
69.40672	3.3
69.41091	2.7
70.07381	0.9
70.70698	0.7
71.04982	3.4
79.05485	4.3
81.03416	15.7
81.03896	0.9
81.07051	8.7
82.04202	1.2
83.04974	1.8
83.08620	9.0
83.20634	0.6
85.02901	5.1
85.06524	2.8
91.05483	6.3
93.07035	13.9
94.47455	0.8
95.04969	5.8
95.08595	4.0
97.02872	1.0
97.06532	6.4
97.10153	1.1
98.97572	1.6
99.04448	1.6
99.08076	1.6
103.03965	1.0
103.05442	0.8
105.07018	3.7
107.04953	1.2
107.08574	4.7
109.06516	2.7
109.10125	3.1
111.04439	3.1
111.08074	100.0
111.11710	4.5
112.08402	1.7
113.05978	1.5
114.09189	1.0
116.98578	1.1
117.07018	0.7
119.04897	0.7
119.08551	2.3
121.06519	4.3
121.10143	2.5
123.08059	0.9
123.11712	7.5
125.05960	0.7
125.09619	1.2
127.03888	2.2
127.07556	1.2
127.11191	1.1
128.66983	0.6
129.07002	0.7
131.08583	1.8
133.06503	1.0
133.10126	3.4
134.99678	1.2
135.08028	2.1
135.11678	0.9
136.06149	1.8
137.05962	3.0
137.09657	0.7
139.07533	45.3
139.11168	5.4
140.07890	1.0
141.12720	2.5
143.08530	1.7
145.10152	1.5
147.08018	0.7
147.11726	0.8
149.09637	2.0
151.11169	4.9
155.08543	1.1
159.08029	1.9
159.11687	1.2
161.09596	3.2
169.10165	0.8
169.12238	12.7
175.11124	1.1
179.10680	5.9
185.13399	0.7
187.06133	0.9
194.07443	0.6
201.12715	1.3
219.13820	3.2
237.09010	1.1
237.14824	8.5
251.10155	1.1
265.08606	1.6
266.12558	3.3
274.97662	1.5
279.16049	2.1
292.98541	1.0
297.11328	2.3
297.16815	11.7
297.21857	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2584
Annotation	Tetrahydrobungeanool
Peak:m/z	Relative Intensity
55.05504	20.9
56.05048	3.7
56.96564	5.0
57.03435	3.5
57.07072	20.8
58.02949	8.2
60.04528	76.8
67.05501	49.2
68.05830	3.1
69.03430	3.8
69.07065	24.3
70.02957	2.7
70.06577	2.7
71.04980	13.3
71.08620	8.4
71.59147	3.6
72.04517	39.8
76.14853	3.0
79.05495	36.6
81.07054	48.9
83.04986	6.1
83.08625	16.8
85.10216	3.3
91.05473	14.5
93.07047	36.6
95.08605	42.4
96.08205	3.5
96.08881	3.1
97.06520	8.2
97.10178	8.6
97.19507	3.6
105.07031	12.7
107.08592	21.0
109.10140	10.5
111.08095	10.3
117.07053	3.8
119.08589	8.1
120.08109	3.3
121.10137	25.7
123.11706	10.3
126.96786	2.8
131.08549	11.5
131.36011	2.8
133.10150	6.9
135.11717	14.2
137.13190	3.9
145.10117	8.6
149.09641	3.7
149.13254	5.3
159.11742	4.9
172.94890	2.7
188.27455	3.1
219.21109	4.5
233.22694	4.9
237.22127	11.9
243.21262	8.1
250.25200	5.0
260.23743	5.5
261.22009	7.8
265.12201	4.9
278.22122	4.1
278.24753	25.8
279.23203	8.1
296.25851	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36871	1.0
53.03918	1.3
55.05504	12.3
56.05044	1.2
56.96549	1.4
60.04522	2.8
68.05029	1.2
69.03427	2.6
70.02948	2.6
70.06582	2.1
71.04988	3.0
71.58366	1.6
74.02446	5.8
81.03398	2.5
81.07078	1.5
82.06575	1.2
84.08121	3.9
85.02895	5.2
85.04022	15.1
87.04457	1.7
87.05587	11.8
88.07585	1.9
91.05473	3.8
95.04951	1.8
95.06087	9.1
98.02448	1.8
99.04438	4.6
99.05552	1.7
100.03983	1.4
100.07600	2.0
107.04948	10.9
116.98647	1.9
117.05489	100.0
118.05033	1.4
118.08618	4.4
119.04935	9.1
123.04423	7.8
129.78905	1.2
134.08121	1.7
136.07565	11.5
146.04488	3.6
146.06038	3.2
147.04401	3.3
150.21582	1.3
159.44864	1.2
163.07281	1.3
163.08592	1.1
164.00172	1.2
165.05464	8.8
182.08133	5.2
188.07069	1.3
191.08052	1.8
193.09712	3.2
193.13347	4.6
198.05508	5.1
206.64635	1.4
216.06544	10.5
232.40796	1.2
233.09222	2.7
237.08690	8.9
250.11803	2.8
252.20676	2.5
261.08673	1.7
262.07059	11.9
279.09808	5.1
279.12955	1.1
296.12503	1.8
296.15961	1.3
309.12820	1.2
314.91269	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03944	5.9
55.01857	15.9
55.05515	51.4
56.96556	6.7
57.03437	5.8
57.07071	12.5
60.04508	4.9
65.03925	4.5
67.05508	100.0
69.03429	5.9
69.06725	4.0
69.07068	40.7
71.04984	6.9
71.08624	14.5
71.42786	6.8
79.05493	57.8
81.03428	17.3
81.07051	67.5
83.04980	18.5
83.08620	23.7
85.02914	4.9
85.06541	6.7
91.05483	33.8
93.07042	48.3
95.04977	16.3
95.08606	50.9
97.06527	8.2
97.10171	19.2
99.08085	13.9
105.07021	25.0
107.04951	6.7
107.08592	42.7
109.06490	9.5
109.10149	28.6
111.08083	7.5
113.09564	3.7
117.07011	5.8
118.84768	3.1
119.08580	21.8
121.10144	27.4
123.08096	6.2
123.11721	8.3
125.09655	11.8
129.31714	3.4
131.08569	5.3
133.06569	3.8
133.10115	14.1
135.08003	4.2
135.11687	19.3
137.09627	5.7
139.11156	9.2
143.08620	3.6
145.10121	7.1
147.11703	14.6
149.13255	15.6
151.11162	19.4
157.10133	5.7
159.11644	5.0
161.13261	14.1
163.09856	3.5
163.11227	4.3
163.14804	3.6
165.12782	8.7
173.13283	4.3
175.11157	6.9
175.14870	4.5
179.14345	8.5
185.13350	4.1
189.16493	3.4
221.15465	5.7
241.19604	5.0
249.22186	4.7
259.20575	10.4
277.21625	74.0
295.19647	5.2
295.22714	52.9
296.25900	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	295.2265
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
52.73721	2.4
53.03941	17.4
55.01872	6.6
55.05506	25.7
57.07071	9.6
61.67731	2.6
65.03949	2.7
67.05169	5.1
67.05505	72.3
69.03421	4.3
69.06718	4.0
69.07069	53.0
70.86272	6.0
71.04967	2.7
71.08612	8.6
73.95829	2.7
79.05492	42.0
79.05947	2.9
81.03416	88.2
81.07053	54.0
83.04980	22.8
83.08618	8.2
85.10196	5.3
91.05473	25.5
93.07038	45.6
95.04966	47.5
95.08602	24.2
97.06526	3.3
97.10167	5.3
99.08103	4.2
105.07026	32.5
107.08598	30.7
109.06516	13.1
109.10154	19.4
111.08078	5.4
117.07033	6.3
119.08571	15.5
121.06528	4.6
121.10129	12.1
123.11713	10.1
125.09628	9.1
131.08582	5.2
133.06491	6.4
133.10149	20.0
135.08051	17.9
135.11696	11.2
137.09543	3.5
143.08620	4.3
145.10124	4.6
147.11697	15.0
149.13306	7.4
151.07477	3.0
151.11182	62.3
153.09077	6.3
161.13268	17.2
163.14838	4.8
165.03760	5.9
165.12772	13.2
171.11659	3.8
175.11214	4.9
175.14886	4.4
177.12723	2.7
179.05222	2.7
179.10658	3.1
179.14349	8.1
185.13335	3.5
189.12735	5.0
193.12392	3.4
207.13768	5.4
217.19540	2.7
225.72453	2.4
231.21111	11.2
241.19556	6.9
249.22136	8.2
249.69897	2.5
259.20615	11.4
277.21619	100.0
289.20938	2.5
315.98041	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	Colneleate
Peak:m/z	Relative Intensity
53.03940	3.7
53.64302	1.7
55.01858	2.3
55.05509	75.9
56.96556	3.6
57.03428	3.0
57.07067	6.4
59.04999	2.5
61.53620	1.6
67.05166	3.2
67.05503	44.3
68.99768	2.0
69.03426	12.9
69.07066	78.3
71.04980	5.3
71.08622	1.9
71.29574	2.7
71.29913	1.8
72.89822	1.7
75.77369	1.7
79.05497	15.1
81.03417	4.4
81.07056	57.3
83.04980	6.7
83.08619	11.6
85.02914	2.2
85.06529	4.1
91.05469	11.5
93.07051	30.7
94.12077	1.7
95.04952	8.8
95.08607	66.0
97.06522	16.0
97.10166	100.0
98.97592	3.8
99.04453	3.9
99.08105	2.2
103.37575	1.7
105.07043	15.7
107.04975	6.1
107.08597	23.3
109.06511	4.8
109.10152	72.6
111.08076	3.2
111.11707	9.9
113.06008	1.7
116.98613	4.1
117.07090	2.0
119.08582	16.2
121.06493	6.9
121.10168	17.8
123.08074	13.4
123.11712	14.3
125.09634	24.9
131.04893	2.2
131.08525	2.8
133.06471	3.2
133.10126	12.3
134.99640	4.2
135.08070	2.1
135.11674	11.7
137.09615	19.3
137.13275	2.5
139.11182	57.4
141.09117	5.1
143.08510	2.3
143.10660	24.5
145.06541	1.9
145.10133	2.8
146.06075	3.8
147.08034	1.9
147.11670	6.8
149.13268	2.9
151.07504	4.8
151.11191	8.3
151.14821	1.9
153.12735	8.0
155.10710	4.8
157.12184	2.1
159.11757	2.1
161.01247	2.7
161.09616	4.2
161.13240	12.9
163.03899	1.9
163.11198	1.7
163.14845	3.3
165.09111	18.5
167.10667	2.5
168.17610	1.9
173.13252	2.3
175.14786	5.0
177.00739	4.7
179.10741	3.2
179.14258	9.1
181.12238	7.1
183.08008	2.4
189.11217	4.0
189.91724	1.7
191.02150	2.2
199.14851	2.0
203.14206	1.9
203.17801	2.3
207.08034	2.5
219.08147	2.0
221.15517	1.9
231.21144	5.4
234.10185	2.8
235.07477	4.2
235.20480	1.9
241.19511	2.8
242.89882	1.6
249.09109	2.2
249.22177	14.2
250.09889	3.9
259.20605	10.8
265.12231	10.1
277.12256	8.3
277.21588	28.2
278.12509	1.8
294.36050	1.8
295.09717	6.4
295.15320	2.2
295.22699	57.6
296.16397	1.9
296.20038	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
55.01853	7.9
55.05254	4.6
55.05507	51.5
57.03432	7.5
57.07065	9.6
61.81932	3.0
65.03947	2.8
67.05502	100.0
69.03402	5.3
69.07073	26.5
71.08633	30.9
71.11819	6.6
79.05496	58.1
81.03407	8.1
81.07051	70.3
83.04970	12.1
83.08633	28.6
83.09084	4.4
85.06535	4.7
91.05482	31.6
93.07043	70.6
95.04973	11.3
95.08611	44.8
97.06533	7.2
97.10174	35.8
99.08086	23.9
105.07021	19.0
107.04914	5.7
107.08592	38.3
109.06509	3.8
109.10160	59.8
111.08078	6.6
114.44655	2.9
117.07012	6.9
119.08559	17.0
121.10141	40.4
123.08036	6.4
123.11728	7.0
125.09626	23.0
131.08621	6.1
133.10104	14.1
135.08112	4.5
135.11682	40.3
141.09074	4.5
145.10158	5.8
147.11687	7.7
149.13232	14.5
151.11188	11.6
153.12767	3.6
159.11763	3.7
161.13269	8.8
163.11169	5.7
173.13274	3.9
175.14783	2.9
179.14316	67.5
189.11255	20.2
233.22647	3.6
235.17056	3.5
259.20541	10.1
277.21600	58.0
295.22717	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	295.2266
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
52.44352	1.1
53.03955	5.5
55.01864	6.9
55.05260	1.9
55.05509	24.2
55.89368	1.3
57.03409	2.6
57.07077	10.2
59.64937	1.3
62.59346	1.3
63.75467	1.0
65.03925	2.4
67.05502	36.8
68.54620	1.1
69.03414	4.1
69.06712	1.6
69.07067	21.9
69.34222	10.7
71.04979	4.6
71.08627	7.5
73.02915	1.3
79.05050	2.0
79.05482	23.7
81.03414	22.4
81.07052	35.2
81.48390	1.1
83.04977	11.6
83.08617	10.6
85.02895	5.3
85.06527	2.6
85.10178	14.0
86.01572	1.1
91.05480	16.9
93.07036	17.8
95.04964	20.3
95.08604	17.7
97.02888	12.4
97.06524	4.4
97.10172	8.4
99.04436	3.5
99.08096	7.6
101.02349	1.2
103.05452	1.2
104.10736	1.9
105.07025	21.7
107.04952	4.5
107.08590	18.3
109.06495	5.8
109.10145	12.9
111.08054	2.8
113.09635	13.4
115.05463	1.1
117.07011	3.1
119.08582	8.2
121.06475	2.0
121.10149	6.8
123.08073	10.6
123.11696	2.5
125.09633	7.7
127.03880	3.0
129.06995	1.9
131.08540	3.6
133.06490	100.0
133.07539	5.2
133.10110	8.6
134.06860	2.5
135.11707	5.7
137.09593	2.3
139.11194	2.7
143.08548	1.6
145.10168	2.8
147.11708	5.8
149.09608	3.2
149.13240	5.0
151.07520	3.5
151.11194	11.6
159.11725	1.0
161.13243	4.9
163.11172	3.9
163.14792	1.2
165.12753	24.7
167.14336	1.4
168.13779	1.2
171.11707	2.0
173.13217	1.2
175.11192	2.1
175.14885	1.5
177.12679	1.3
179.14287	4.3
184.07310	1.6
185.13313	1.7
189.11229	3.7
193.12148	1.2
199.06924	1.3
207.13785	3.2
214.67944	1.0
221.11702	2.1
226.62192	1.1
231.21120	1.8
241.19504	1.6
249.22064	2.3
259.20532	4.4
277.21591	51.4
295.22662	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
55.01877	6.8
55.05501	26.8
57.03433	33.7
57.07074	22.7
62.98865	4.3
63.75108	4.4
67.05500	68.4
69.07078	25.5
69.29459	34.9
69.29883	13.6
79.05486	49.2
81.07051	100.0
83.04986	7.6
83.08615	17.8
85.06547	6.1
91.05464	28.8
93.07042	48.6
95.04982	10.9
95.08601	75.4
97.06498	10.8
97.10170	6.0
98.20730	8.8
105.07030	23.8
107.08591	42.2
109.06522	6.3
109.10148	40.0
111.08099	8.8
111.11728	5.8
117.07009	6.9
119.08600	26.0
121.10132	40.1
123.08089	6.0
123.11696	10.8
129.06976	5.1
131.08582	15.7
133.10118	21.2
135.11676	27.0
137.77074	4.2
145.10123	11.8
147.11699	13.0
147.55580	4.0
149.09628	4.6
149.13200	8.0
151.00612	4.5
151.11148	9.4
159.11743	12.5
163.14777	6.3
165.12766	8.8
175.11235	5.6
179.93643	4.3
187.14899	21.6
194.80032	5.6
203.18011	5.8
205.15880	16.5
221.19089	6.7
223.16962	10.1
259.20587	13.7
277.21652	63.7
295.22873	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03930	10.9
55.01857	11.5
55.05504	47.7
56.96554	10.3
57.03425	9.3
57.07070	27.8
58.07374	4.9
60.08145	5.3
65.03919	4.2
67.05497	88.9
69.03424	6.4
69.07059	88.9
70.07393	13.7
70.13506	17.5
70.13778	3.7
71.04987	7.9
71.07344	4.8
71.08623	41.6
79.05060	5.5
79.05486	61.3
81.03052	3.0
81.03414	29.5
81.07053	71.9
83.04960	18.8
83.08627	20.9
85.02881	4.4
85.06532	6.2
86.09713	34.1
91.05475	37.4
93.07040	70.9
95.04961	28.1
95.08601	45.5
97.02888	3.3
97.06525	17.9
97.10148	15.0
99.08078	34.6
104.10747	7.3
105.07050	22.9
107.04929	7.3
107.08586	39.0
109.06503	17.2
109.10142	34.0
113.01501	4.1
114.01897	3.2
115.07544	13.0
117.07003	8.5
117.30949	3.5
119.08584	20.8
121.06496	3.4
121.10123	25.1
123.08047	15.3
123.11684	8.0
124.99973	19.1
125.09631	8.6
126.99507	5.6
127.11232	4.9
128.96143	3.6
129.06946	4.4
131.08577	6.6
133.10104	17.3
134.99664	4.1
135.08064	5.4
135.11682	14.6
137.09605	8.5
139.11166	5.2
141.00984	11.8
142.01353	11.7
143.00748	13.2
144.01721	3.8
145.10124	8.6
147.11630	13.9
149.09575	4.0
149.13245	14.7
151.11172	35.1
157.10025	3.7
159.11623	4.8
161.13280	14.5
163.11150	7.6
165.12714	4.1
168.13766	9.0
171.11729	4.5
179.14273	27.4
184.07323	58.5
185.13211	6.7
189.11240	4.7
197.07236	8.4
198.07607	19.7
199.06955	13.7
221.15398	7.5
231.21153	4.8
241.19514	6.6
259.20602	8.3
277.21597	100.0
295.10214	10.9
295.22675	89.0
296.09778	6.6
317.18042	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	295.2267
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03924	6.0
55.01619	6.7
55.01869	81.4
55.05515	39.0
57.07071	12.3
67.05500	56.3
69.03432	6.6
69.07059	39.9
69.40754	38.8
71.04985	7.2
71.08627	14.4
79.05479	36.5
81.03401	17.6
81.07054	61.5
83.04970	19.0
83.08618	29.9
85.10165	15.3
91.05477	38.1
93.07030	37.6
95.04964	17.7
95.08617	43.1
97.06517	23.2
97.10124	5.5
99.08060	20.6
105.07044	31.6
107.04964	6.8
107.08581	25.1
109.06542	9.9
109.10150	17.4
111.07364	6.1
111.08082	77.9
113.09608	13.8
117.06962	5.4
119.08561	14.2
121.06460	4.8
121.10139	21.2
123.08054	9.2
123.11713	8.4
129.07010	6.3
129.47221	4.2
131.08554	5.3
133.06494	5.9
133.10141	35.3
135.11676	9.6
141.09061	4.9
145.10132	5.5
147.11691	20.0
149.09610	12.0
149.13257	13.5
151.11160	23.4
157.10100	7.5
159.11649	6.6
161.13374	6.8
163.11197	8.9
165.12761	34.6
175.11134	5.9
176.16721	4.6
179.14340	11.3
185.13371	5.6
192.03696	4.4
207.13858	4.1
231.21082	7.8
241.19493	7.2
249.22113	6.3
259.20633	14.4
277.21606	100.0
295.22726	77.9
296.34357	4.2
302.67776	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	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
55.01865	15.4
55.05515	49.1
56.96567	11.5
57.03427	8.1
57.07069	20.5
58.74597	7.0
62.83862	7.3
67.05502	100.0
69.07072	61.6
71.08623	17.3
71.60323	8.4
75.55942	6.9
79.05501	55.1
81.03418	17.4
81.07064	93.5
83.04976	24.2
83.08615	32.4
85.06522	10.4
90.52678	7.3
91.05480	47.2
93.07047	73.7
95.04957	30.3
95.08605	54.4
95.47713	7.2
97.06521	21.6
97.10164	23.3
98.97559	7.0
101.01516	7.1
105.07020	47.3
107.08626	44.3
109.06529	9.9
109.10155	32.4
111.08070	18.6
113.09657	8.9
119.08571	27.0
121.10179	34.6
123.08050	8.0
123.11715	8.8
125.09625	12.0
129.06949	7.5
131.08548	13.3
133.06505	10.0
133.10126	22.1
135.08072	16.7
135.11693	19.7
139.11183	20.5
139.46393	6.8
147.11693	18.3
149.13246	21.1
149.69603	8.2
151.07571	13.3
151.11212	11.3
161.13271	17.7
165.12720	10.5
175.07895	7.3
175.11270	10.0
175.14822	9.6
189.11095	7.8
234.32431	6.9
259.20578	12.7
277.19229	9.0
277.21680	96.1
295.17224	11.1
295.22803	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	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03939	5.6
54.57558	2.3
55.01623	2.8
55.01871	41.5
55.05510	50.3
56.96557	4.0
57.03423	6.7
57.07076	14.1
57.13544	1.8
58.19102	1.6
58.72897	1.9
65.03937	3.5
67.05505	84.9
69.03416	6.9
69.06718	3.2
69.07066	38.9
70.73142	5.4
71.04975	5.5
71.08634	31.0
74.12515	1.8
75.08772	1.6
79.05492	51.8
81.03416	20.6
81.07056	82.9
83.04977	21.0
83.08614	34.9
85.06532	6.4
85.10177	15.5
91.05476	39.3
92.32666	1.6
93.07043	55.2
95.04976	22.5
95.08603	46.0
95.09514	1.8
97.06535	23.5
97.10174	14.2
99.08095	23.3
100.03697	1.6
103.05460	4.1
105.07035	42.2
107.04967	10.1
107.08596	29.9
109.06528	11.9
109.10146	30.4
111.08074	43.7
113.09626	14.8
116.98633	3.1
117.07014	7.0
119.08592	25.0
121.06490	1.9
121.10146	25.4
123.08068	6.2
123.11713	11.0
125.09639	11.3
129.07002	4.3
131.04903	2.1
131.08594	9.6
131.09392	1.8
133.06474	8.1
133.10132	24.0
134.07262	3.6
134.99678	3.0
135.08051	16.2
135.11682	18.2
137.09587	6.1
137.13246	4.0
139.11154	7.0
140.65012	1.7
143.08557	5.0
145.10104	7.4
146.05992	1.9
146.99663	2.3
147.07985	2.2
147.11691	25.2
149.09619	6.4
149.13251	15.1
151.07518	2.6
151.11172	30.4
151.14825	1.8
153.12730	5.1
157.10141	6.4
159.11688	6.4
161.09547	2.9
161.13251	16.6
163.11151	14.2
163.14748	2.7
165.03743	5.4
165.12746	25.8
167.05258	1.9
167.10751	2.1
171.11687	6.9
173.13275	4.7
174.05429	2.5
175.11198	5.5
175.14810	5.7
177.12738	3.2
178.72258	1.7
179.14302	12.4
185.13264	6.9
189.11208	4.2
189.12766	2.2
193.12215	2.3
193.15982	2.1
195.13768	2.7
199.14772	3.2
207.13721	3.0
213.16348	1.9
221.15326	4.1
231.21034	5.6
241.19484	9.8
249.22147	9.2
259.20596	16.7
263.06992	2.3
265.12289	2.2
277.16376	5.2
277.21622	100.0
278.48602	1.7
295.09515	4.2
295.17435	3.4
295.22687	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1904
Annotation	7-O-demethyl-albocycline
Peak:m/z	Relative Intensity
53.03949	8.3
55.01871	8.9
55.05261	2.4
55.05513	32.5
56.96564	6.4
57.03434	4.3
57.07081	3.6
59.44956	1.7
60.82959	1.8
65.03925	2.1
67.05506	37.3
69.03428	3.5
69.07062	24.6
69.86664	7.0
69.87067	4.7
71.04994	5.3
73.06535	2.2
79.05496	42.5
81.03416	67.2
81.07055	41.0
83.04963	10.3
83.08616	26.0
85.06548	4.0
91.05475	45.8
92.05869	2.1
93.07043	50.1
95.04949	19.1
95.08604	30.5
97.06540	6.6
97.10176	5.6
103.05477	8.0
105.07031	43.6
107.04923	12.6
107.08590	25.1
109.06491	12.1
109.10134	9.7
111.08068	7.0
113.05998	2.7
113.09635	2.6
115.05456	4.7
117.07011	25.5
119.04944	4.9
119.08586	36.9
121.06495	39.5
121.10130	13.4
123.08088	4.7
125.05922	3.1
127.20338	2.0
128.06262	2.7
129.07031	18.8
131.04958	3.7
131.08557	34.2
133.06467	13.6
133.10123	21.3
134.99698	2.5
135.08043	19.3
135.11723	7.7
137.09616	2.2
142.07751	3.8
143.08554	14.3
145.06506	3.2
145.10112	23.3
147.08067	18.4
147.11658	9.3
149.09621	20.3
149.13246	7.0
151.11198	4.0
155.08522	4.1
157.10103	17.6
159.11685	13.1
161.09653	10.2
161.13261	2.9
163.11191	4.1
165.09148	2.6
165.12846	3.7
165.28905	2.1
167.08513	2.6
168.13756	1.9
169.10109	4.4
169.80922	2.0
171.08047	3.5
171.11685	10.6
173.09630	3.2
175.11223	6.1
177.12758	3.3
181.10120	3.8
185.09683	3.0
185.13197	4.2
187.11176	2.7
187.14769	4.4
195.11758	2.5
195.13852	5.6
197.13298	7.0
199.14801	4.2
203.14365	2.1
207.13710	2.5
213.12837	4.1
213.16425	10.4
215.14368	3.5
221.15451	6.5
223.14876	5.5
231.17471	6.6
233.15349	13.4
241.15855	10.3
247.16731	2.6
251.16437	4.2
254.11513	2.4
259.16922	52.3
265.17896	2.6
272.12521	5.8
277.17993	100.0
277.21411	8.5
278.18277	2.2
295.18967	16.3
295.22250	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.5
54.03445	0.5
56.96549	0.7
57.07070	0.9
59.04988	1.2
66.04664	0.3
67.05497	3.2
69.07060	0.6
69.50340	1.5
69.50763	1.5
71.06099	0.4
72.04499	0.4
79.05486	4.4
79.33630	0.4
81.07056	25.7
82.02935	3.0
85.06560	0.8
91.05467	1.2
93.07043	11.7
95.04956	1.3
95.08590	1.6
98.20741	0.7
98.97550	0.7
99.05576	38.9
105.07021	2.3
107.08594	3.1
109.06483	0.5
114.68913	0.4
116.98658	0.6
120.08045	0.4
121.10143	4.0
123.08070	20.1
123.11703	22.3
127.05000	0.4
133.10120	1.9
145.06081	38.8
146.05986	0.5
151.03709	0.4
151.11163	1.8
165.10150	0.8
173.05586	1.5
211.10750	1.1
254.78452	0.4
295.16519	100.0
296.16867	1.6
303.04990	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1652
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
54.56131	0.3
55.01860	0.4
55.05498	0.3
56.66767	0.3
56.96550	0.5
57.03434	0.4
59.18733	0.3
67.05505	0.3
69.03433	1.9
69.07056	0.7
69.67953	1.7
70.02936	0.5
70.06579	0.8
73.02914	0.4
74.02428	1.1
76.38386	0.3
79.05485	0.6
81.03403	0.8
81.06966	0.3
84.04499	0.7
84.08128	0.6
85.02896	1.2
86.09707	5.1
88.03990	2.8
91.05479	23.7
92.05798	0.3
93.07067	0.6
94.06566	3.2
95.04990	0.4
95.08591	0.5
97.02885	0.9
97.06542	0.6
98.20748	0.5
98.97581	0.5
99.00803	0.6
104.03461	0.9
107.04933	1.1
108.08122	0.4
109.06506	0.8
115.03973	0.4
116.98602	0.5
118.06535	1.2
119.04938	14.6
120.04467	0.9
120.05264	0.4
120.08138	0.5
121.06499	2.8
123.04465	0.3
125.06018	0.3
130.05042	0.4
130.08664	0.6
132.10173	2.1
133.04961	0.3
136.07574	100.0
137.07953	0.4
146.06010	6.6
147.04395	0.6
150.05498	0.4
161.01228	0.5
163.04004	0.3
174.03973	1.4
174.05531	3.1
177.10275	0.3
202.03470	0.7
221.06024	0.6
236.09993	0.3
236.12825	0.5
249.02902	0.4
249.05807	0.3
249.15981	1.4
250.14445	0.8
267.03958	0.6
278.13928	1.0
295.06021	0.9
295.16479	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	295.1903
Annotation	7-O-demethyl-albocycline
Peak:m/z	Relative Intensity
53.03939	7.1
54.53339	1.8
55.01870	6.4
55.05508	15.0
56.96550	8.3
57.03449	3.4
57.07062	3.7
58.48930	1.4
67.05499	29.0
67.53832	1.5
69.03429	2.7
69.07063	20.7
69.38214	14.8
71.04994	4.2
71.95239	1.9
75.55085	1.4
77.07156	1.5
79.05491	38.9
81.03416	66.2
81.07055	39.9
83.04976	6.6
83.08609	11.9
85.06535	2.8
91.05476	50.5
93.07040	48.0
95.04954	19.1
95.08601	21.4
97.06509	8.4
98.97591	3.7
103.05455	9.9
105.07032	40.0
107.04959	20.1
107.08590	25.5
109.06532	8.7
109.10149	7.5
111.08083	3.7
111.67625	1.8
115.05465	3.5
116.06234	2.0
116.98630	5.4
117.07006	27.7
119.04940	2.3
119.08576	31.5
121.05647	2.5
121.06511	43.3
121.10136	12.1
123.08092	3.8
123.11670	2.7
123.46108	1.6
125.09647	1.8
128.06215	3.6
129.06985	15.6
130.07771	2.3
131.04897	8.2
131.08560	31.0
133.06502	14.6
133.10139	14.3
134.99686	4.7
135.08038	18.8
135.11684	6.5
137.05957	4.2
137.09631	3.1
141.06976	2.2
142.07780	3.2
143.08565	15.8
145.06470	2.4
145.10118	22.9
146.06003	2.5
147.08055	16.6
147.11678	5.5
149.09619	15.7
149.13268	2.6
155.08618	3.9
157.10124	18.6
159.08070	6.3
159.11688	9.2
161.09593	12.6
161.13242	2.9
163.07623	2.3
163.11171	3.9
165.09184	3.2
167.08575	2.9
169.10117	4.1
171.08057	4.0
171.11685	6.7
172.04613	1.5
173.09604	3.9
173.13168	2.4
175.11165	4.5
175.14688	2.4
177.12717	3.8
179.10756	2.3
181.10107	5.0
183.11592	1.9
185.09708	1.9
185.13208	6.1
187.11212	2.1
187.14847	3.2
195.11606	2.2
195.13828	5.4
197.13275	5.2
199.14807	2.8
203.14195	2.8
211.15022	1.5
213.12740	3.0
213.16394	10.3
215.14317	4.1
221.15387	5.4
223.14816	6.8
231.13783	2.1
231.17459	5.6
233.15312	10.9
241.15923	12.9
242.11440	1.7
247.16901	2.7
249.18369	2.5
251.16614	2.6
259.16943	52.1
272.12491	8.7
277.17987	100.0
278.18271	2.3
295.09650	3.4
295.19046	18.2
295.22327	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	294.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
55.05498	0.4
56.85356	0.2
57.07056	0.6
66.04704	0.3
67.05505	1.3
69.07061	0.7
69.66553	1.5
69.66962	0.6
71.08617	0.4
79.05482	1.1
81.07057	2.7
84.34132	0.3
91.05476	1.0
93.07021	0.6
94.04179	2.3
95.08614	0.6
97.06503	0.3
97.10138	0.3
98.20750	0.5
105.07013	0.8
105.63061	0.3
107.04942	0.3
107.08593	0.6
109.06522	0.7
109.10168	0.3
119.08585	0.3
121.10156	0.4
122.03638	6.5
123.11720	1.9
134.10481	0.3
137.05968	100.0
138.06300	1.1
147.11710	0.4
153.19504	0.2
158.15393	1.8
159.15697	0.3
170.15361	1.4
174.06342	0.3
188.57584	0.3
192.07393	0.5
203.07205	0.3
204.07401	0.5
221.08112	1.2
222.08411	2.4
258.19226	0.3
266.96423	0.3
276.13123	0.6
276.20386	1.1
294.14258	0.9
294.21310	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07986	0.6
53.03931	1.2
54.65779	0.6
56.96557	1.0
57.03420	1.1
60.04506	2.1
64.46863	0.5
67.05484	1.1
68.99800	0.8
69.03432	3.2
69.07047	0.9
69.92975	0.6
70.02952	6.0
70.06588	5.0
71.01344	0.8
71.26791	1.0
71.27154	1.3
72.08141	0.9
73.02897	2.3
74.02448	3.7
81.03423	1.7
84.04512	0.8
84.08139	2.4
85.02879	1.8
86.02380	0.6
86.09701	1.4
87.00835	0.9
87.04485	0.8
88.03987	42.2
91.05483	3.4
92.05006	1.1
93.07026	1.1
94.06564	42.9
95.04955	2.2
97.02896	3.1
98.02415	0.8
99.00796	5.2
99.05495	0.6
104.03458	14.8
104.04953	4.0
105.07028	1.4
107.04933	0.8
107.08590	0.7
109.02844	0.6
109.06467	0.8
115.03927	2.4
116.03439	2.2
118.06519	4.0
119.04913	1.1
119.07362	0.6
119.08554	0.7
120.04471	10.0
120.08100	1.9
123.04430	0.7
125.12971	0.6
125.42065	0.6
128.04974	0.7
130.05008	2.1
131.08502	0.6
132.04436	6.8
133.04956	1.7
136.07570	6.6
145.04970	0.9
146.06000	100.0
147.06346	0.6
150.05536	3.8
151.03871	2.0
156.02884	5.0
158.04459	1.2
163.08667	1.3
164.07066	1.0
174.03976	14.7
174.05515	36.2
189.05322	0.6
192.06514	6.6
202.03447	12.4
210.07629	0.8
233.09241	1.1
249.12962	0.7
267.03775	0.6
277.08139	1.9
295.05832	1.5
295.08926	1.6
295.16321	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	295.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67518	3.4
53.03959	4.3
60.04519	5.7
63.41628	3.9
65.05577	3.4
70.83722	11.4
71.04973	5.6
72.04513	75.1
73.05302	19.1
74.02431	75.7
82.02921	10.4
84.04496	6.6
86.50691	3.5
90.05558	35.8
99.05569	32.3
100.03967	25.4
115.03917	25.8
116.07095	27.6
117.06586	7.5
118.05021	42.3
132.06544	7.8
133.04959	8.4
144.69675	3.8
145.06102	19.1
146.04474	100.0
150.07617	48.1
161.38750	4.3
163.07126	41.9
169.69113	3.6
173.05640	7.8
191.06612	5.3
314.27985	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	295.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28333	7.8
55.01867	13.5
55.05502	21.1
56.05031	14.0
57.03430	11.2
60.04514	29.5
68.05017	14.6
69.03437	22.9
70.06597	55.3
70.19863	24.0
72.04503	54.5
73.02908	8.3
74.02443	77.1
80.05030	13.0
81.03406	28.5
82.02935	10.5
84.04508	62.8
84.08142	17.3
85.02914	14.8
86.06059	27.2
95.06013	6.8
95.22210	7.0
96.04501	18.5
97.02898	9.9
97.06530	11.3
98.06053	72.8
98.21439	8.8
99.05566	52.4
99.63972	7.6
100.03975	21.5
102.05556	9.0
108.71717	6.5
114.05521	14.7
115.03930	59.6
116.07096	53.8
118.05032	35.8
130.04967	13.8
132.06564	50.3
133.04924	14.9
136.07590	10.0
142.05040	9.8
145.06097	17.6
146.04483	100.0
150.07622	34.8
150.11264	8.2
154.08665	14.3
163.07132	43.3
183.21992	7.4
189.28391	8.5
277.11566	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	295.1651
Annotation	Tyrosylleucine
Peak:m/z	Relative Intensity
51.63837	0.5
53.03935	1.1
55.01872	0.8
55.05489	0.6
56.05032	0.7
56.96555	1.8
57.03426	0.8
60.04503	0.5
63.20933	0.5
65.03929	0.8
67.05492	1.0
69.03417	1.5
69.07047	1.6
69.77769	3.4
70.02928	0.6
70.06592	2.6
71.04978	0.6
72.04521	0.7
72.08141	1.8
73.02908	0.6
74.02438	1.2
79.05495	1.5
81.03405	1.2
81.04543	0.5
81.07070	0.6
82.06563	0.6
84.04504	7.4
84.08128	3.7
84.96055	0.7
85.02897	2.2
86.09208	0.7
86.09706	10.3
88.03991	4.2
91.05477	24.2
93.07043	1.3
94.06554	2.5
95.04945	1.0
95.08606	0.7
97.02924	0.7
99.00762	0.6
102.05576	0.7
103.05451	1.7
104.03450	0.7
107.04944	5.7
108.05608	1.7
109.02864	0.7
109.06522	1.1
110.07093	0.5
118.06538	1.5
119.04938	16.1
120.04480	3.7
120.08101	20.2
121.06483	2.8
121.08405	0.6
121.87621	0.5
129.10252	1.7
130.04977	0.8
130.08640	1.2
131.04913	1.2
132.10179	2.6
132.95825	0.7
135.04428	0.9
136.07571	100.0
139.03888	0.6
143.00134	0.9
146.06015	5.4
146.99641	0.5
147.04410	1.1
150.07748	11.3
150.96848	0.7
151.03915	0.7
157.06491	0.7
161.01245	2.7
163.03938	3.1
165.07018	1.3
166.08627	7.9
174.04086	0.8
174.05534	2.1
176.05695	3.6
181.04968	1.6
186.09151	1.5
201.05544	0.7
202.03615	0.6
207.26180	0.5
221.05984	7.2
229.04970	0.6
232.09651	0.7
235.05754	0.6
247.06094	1.7
249.02829	1.9
249.05513	3.4
249.16008	3.1
250.14494	1.1
259.06055	0.8
266.68271	0.6
267.03854	2.0
267.06451	0.7
276.02594	0.5
277.04965	1.7
277.15900	0.6
295.06009	7.1
295.09341	4.4
295.13007	1.2
295.16483	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	293.2473
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03930	2.3
55.05510	10.6
57.07068	2.5
65.03925	2.9
67.05504	89.8
69.06788	0.9
69.07069	11.0
78.00153	1.1
79.05491	13.8
81.07054	100.0
83.04948	1.5
83.08612	6.1
85.06516	2.4
88.86528	1.0
91.05492	7.3
93.07038	15.3
95.04940	1.9
95.08604	74.3
97.06519	2.4
97.10146	1.9
100.23546	1.2
105.07005	5.5
107.08603	9.5
109.06487	1.7
109.09461	1.8
109.10152	27.5
111.11718	1.7
115.07562	1.2
117.07034	1.6
119.08578	4.5
121.10142	8.6
123.08084	1.5
123.11716	16.9
126.77326	1.1
131.08577	7.5
133.10141	5.3
135.11716	6.1
137.09566	1.6
137.13266	9.8
139.11121	1.4
142.12183	1.0
145.10098	3.5
147.11664	3.7
149.09593	2.7
149.13229	4.6
151.11169	1.8
151.14801	3.5
156.54160	1.1
159.11726	5.3
161.13214	3.1
162.57652	1.1
163.11169	3.2
163.14787	2.9
165.12749	1.3
165.16312	1.7
173.13293	6.7
174.13412	1.1
177.12772	2.3
177.16377	2.2
187.14777	2.7
191.14288	2.0
201.16328	1.3
205.15895	1.0
209.15395	1.1
237.18491	1.1
243.21033	7.5
261.22055	5.2
275.20062	1.5
293.24698	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	294.2064
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.01864	0.6
55.05497	0.3
57.07077	1.4
60.47723	0.2
66.04713	0.4
67.05486	1.0
69.07056	0.7
70.08572	0.3
71.08638	1.4
71.21957	0.5
71.22296	0.6
79.05483	0.8
80.05856	0.3
81.07056	1.4
91.05479	1.0
94.04179	2.7
95.04945	0.4
95.08611	0.3
98.10506	0.3
105.07064	0.3
107.04954	0.4
107.08589	0.4
109.06492	0.3
122.03644	7.1
133.10103	0.3
137.05974	100.0
138.06302	1.5
141.12723	2.5
158.15416	1.5
276.20343	0.8
277.21661	0.6
294.21124	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.7
55.01876	1.7
55.05515	8.7
56.05031	1.9
57.03435	1.5
62.26292	0.8
65.03948	1.8
67.05505	28.3
67.41439	0.7
69.03420	1.3
69.07069	10.0
70.06586	0.8
70.63922	2.2
71.04995	2.9
79.05496	43.9
80.05040	0.7
80.05814	0.8
81.03426	3.3
81.06574	1.6
81.07059	29.9
82.06614	1.2
83.04974	3.7
83.08621	6.4
85.06551	2.2
86.09704	0.9
91.05482	68.7
93.07047	26.2
94.06564	1.0
95.04977	8.7
95.08599	15.3
97.06514	3.6
97.10154	1.6
98.20750	0.8
99.08090	1.7
103.05476	2.8
105.07032	55.9
106.07362	1.5
107.04942	6.1
107.08598	17.0
109.06517	11.9
109.10171	11.5
110.06013	0.8
111.08073	0.9
115.05444	4.6
116.06223	2.5
117.07023	46.9
118.07313	1.1
119.04948	4.8
119.08575	16.9
121.06505	4.7
121.10139	8.5
123.08065	2.2
123.11718	1.9
125.09647	0.9
128.06241	6.6
129.07011	25.9
130.07782	1.8
131.08569	100.0
132.08914	1.6
133.06509	3.7
133.10139	9.5
135.04471	1.0
135.08069	12.6
135.11664	4.5
137.09650	1.2
141.07027	4.3
142.07741	2.2
143.08557	21.7
145.06488	3.1
145.10124	32.8
145.11276	1.7
147.08047	15.3
147.11676	3.9
149.06013	2.2
149.09618	5.3
151.11174	2.4
153.07036	1.1
155.08549	5.9
157.06572	1.1
157.10129	13.7
159.08060	6.2
159.11713	3.7
161.09659	7.2
161.90863	0.9
163.11218	1.5
165.07028	1.2
167.08571	3.0
169.10130	3.7
171.08051	2.5
171.11697	6.9
173.09630	2.1
175.11180	2.5
177.09106	1.0
181.10110	8.1
183.11766	1.0
185.09554	1.2
185.13271	2.4
194.15445	1.6
195.11679	4.7
197.13239	3.5
199.11183	1.1
199.14915	1.9
211.14839	1.4
212.16473	6.4
213.16374	8.2
223.14799	11.8
231.17473	2.6
233.06033	0.9
241.15891	16.5
258.18527	3.0
259.16953	47.7
260.17291	2.2
263.10443	0.8
276.19620	9.7
277.17987	7.3
294.17471	1.5
294.20621	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.01860	10.3
55.05509	62.9
59.04995	4.7
67.05497	50.2
69.03414	6.2
69.07082	10.8
70.05501	25.1
71.04982	6.1
73.19108	4.8
79.05060	7.1
79.05492	100.0
81.07040	33.9
83.04970	8.3
83.08604	17.3
91.05463	26.7
93.07032	36.9
95.08586	7.4
97.06502	6.3
97.10155	35.8
105.07027	24.9
106.52777	5.3
107.04939	44.5
107.08586	71.3
109.10136	17.9
117.07014	13.7
119.08579	17.1
121.06512	6.7
121.10131	16.1
125.09645	36.1
131.08580	13.3
133.10143	29.1
135.08026	11.3
145.10083	9.3
147.11684	11.5
149.09616	88.6
159.11678	7.1
167.10672	4.9
173.13335	7.2
177.12822	6.5
187.13297	6.6
189.11162	32.0
229.19458	13.3
257.18930	27.6
275.20041	95.3
276.20404	7.4
293.21027	8.2
301.32043	4.7
311.70081	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	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03950	0.6
55.01857	1.4
55.05513	2.2
56.96553	0.3
57.03436	0.4
57.07071	4.1
65.03912	0.5
67.05505	3.7
67.05837	0.6
69.03421	0.6
69.07059	2.3
71.04966	0.4
71.08636	2.1
71.59465	0.5
79.05493	3.5
81.03405	1.2
81.07057	3.9
83.04970	1.1
83.08616	1.2
85.02904	0.4
85.06548	0.7
87.95872	0.3
91.05477	2.4
93.07055	2.5
95.04972	5.0
95.08610	2.5
97.06513	0.4
97.10158	0.9
99.08092	0.9
105.07026	2.2
107.04954	3.7
107.08586	2.1
108.05744	1.6
109.02909	0.4
109.06510	1.9
109.10128	0.9
111.04433	1.8
111.08098	0.5
117.06942	0.5
119.08579	1.0
121.06510	6.3
121.10125	1.2
122.07186	0.4
123.08078	0.6
125.05997	0.7
125.09631	0.6
131.08548	0.8
133.10086	0.6
135.04431	0.6
135.08058	1.4
135.11678	0.4
137.09576	0.5
143.08598	0.4
145.10120	0.9
147.11665	0.5
149.09605	1.2
151.11179	2.3
153.05470	1.7
159.11748	0.4
163.03891	0.4
163.11165	1.1
164.11998	0.4
165.12732	4.0
167.10594	0.4
177.12756	1.1
181.04909	2.5
182.25679	0.3
191.10721	0.9
191.14322	0.4
195.10176	0.8
209.11732	4.1
218.25645	0.3
219.10062	0.4
223.13310	0.7
230.85854	0.3
232.28210	0.4
236.14053	0.4
237.11223	8.6
237.14954	0.9
238.11588	0.4
247.20337	0.4
265.18082	0.7
275.20090	2.1
293.21109	100.0
294.21484	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03935	1.6
55.01873	3.9
55.05507	11.8
57.03417	2.1
57.07066	2.0
57.67680	0.7
59.05000	0.8
65.03930	1.5
67.05500	25.7
69.03423	1.6
69.07065	21.8
70.22272	2.2
71.04968	2.6
79.05491	17.2
80.00829	0.8
80.12489	0.7
81.03417	1.4
81.06574	1.6
81.07050	32.9
83.04968	7.5
83.08611	5.0
85.06521	2.4
85.47125	0.6
88.45365	0.7
91.05475	20.5
93.07036	21.8
95.04958	9.4
95.08601	18.3
97.06515	3.1
97.10163	2.0
99.03052	0.9
103.05392	0.9
105.07027	22.6
107.04953	6.1
107.08591	11.6
109.06518	9.9
109.10139	8.2
111.04403	0.9
111.08078	1.4
117.07023	6.2
119.08579	12.6
121.06503	9.7
121.10144	6.7
123.08047	4.9
123.11668	2.3
125.09614	1.1
129.06996	1.3
131.08560	13.6
133.06445	2.3
133.10127	17.6
135.08040	4.0
135.11699	4.7
137.09602	3.0
143.08597	1.7
145.06448	2.0
145.10124	9.6
147.08031	2.6
147.11687	11.6
149.09612	5.1
149.13254	2.5
151.11180	7.4
155.08568	2.1
157.10123	2.7
157.12628	0.7
159.08054	1.7
159.11696	6.6
161.09605	3.0
161.13239	3.0
163.11208	3.6
163.14821	0.9
165.12683	1.0
169.10078	1.3
171.11639	1.9
173.09624	2.9
173.13213	6.2
175.11209	2.2
175.14697	0.9
175.85048	0.8
177.12735	2.1
183.11674	2.0
187.11069	0.9
189.12677	0.8
191.14287	2.4
197.13235	1.0
199.14777	0.9
201.12720	2.9
207.13788	2.7
213.16386	0.8
215.17918	1.1
217.15750	1.2
219.13776	5.6
228.99219	0.8
229.19449	2.8
231.17528	1.2
233.15309	1.4
233.19020	1.2
237.14783	1.4
239.17926	3.3
247.20622	4.0
257.18973	13.2
275.20047	100.0
276.20416	3.0
293.21075	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03949	1.5
53.82272	1.2
55.01867	1.9
55.05514	11.1
57.03440	15.0
57.07070	3.2
59.04995	1.2
65.03929	1.3
67.05505	20.5
69.03454	1.0
69.07063	11.6
71.04983	3.0
71.29633	1.3
71.29977	2.3
73.06568	0.9
79.05492	19.5
81.03414	1.3
81.07058	21.8
83.04978	4.2
83.08614	3.8
85.06541	3.0
88.52934	0.9
91.05473	21.2
93.07040	21.4
95.04986	6.4
95.08599	18.0
97.06523	2.7
97.10165	1.9
98.98454	1.4
99.04449	1.7
105.07037	15.5
107.04952	3.5
107.08597	13.2
109.06514	8.5
109.10188	6.7
111.04456	1.6
111.08051	2.5
117.06990	7.6
119.08597	14.2
121.06512	3.8
121.10140	9.4
123.08086	4.1
123.11713	1.7
125.09634	1.7
129.07036	2.3
131.08568	10.9
133.10123	10.0
135.08067	2.9
135.11662	6.0
137.09605	3.1
143.08537	3.1
145.10138	6.9
147.11693	3.8
149.09657	3.6
151.11247	1.8
153.05522	1.3
159.11742	6.1
161.13239	2.0
163.11212	1.3
172.95290	1.5
173.13281	3.4
175.14893	1.6
177.12784	1.3
184.38699	1.1
185.13309	4.3
190.96280	1.6
191.10677	1.5
201.16385	4.4
203.14348	4.3
209.11754	2.8
219.17433	100.0
220.17773	1.9
221.15459	2.6
237.11134	7.1
239.17889	1.4
257.19107	3.9
265.21490	1.4
275.20062	18.5
293.21124	17.6
297.34335	1.1
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	9,10-EOT
Peak:m/z	Relative Intensity
53.03931	3.3
55.01871	10.4
55.05510	57.3
56.96551	3.8
57.03428	4.6
57.07065	4.6
63.56403	1.9
65.03922	3.9
66.68949	2.1
67.05170	3.7
67.05505	51.4
69.03432	9.7
69.07064	23.7
70.84560	2.1
70.84876	3.4
71.04982	6.2
73.75700	2.0
74.44516	1.9
75.39647	1.7
76.32189	1.7
79.05489	59.7
81.03405	8.2
81.07054	45.1
83.04964	10.0
83.08145	2.1
83.08617	33.3
83.76760	1.9
85.06496	2.7
87.44917	1.8
91.04905	2.4
91.05471	44.8
93.07043	38.3
95.04974	26.5
95.08051	2.6
95.08607	36.2
97.06538	12.3
97.10167	26.8
103.05481	2.4
105.07025	41.8
107.04951	10.3
107.08589	100.0
109.06525	11.8
109.10151	20.0
111.08103	4.4
117.07022	10.1
119.08579	26.4
121.06503	3.8
121.10129	21.8
122.81316	2.3
123.08073	4.0
125.09637	21.7
129.06995	2.4
130.07819	1.9
131.08560	18.7
133.10129	27.2
135.08040	7.9
135.11694	6.1
137.05968	3.2
137.09592	16.0
139.11151	8.4
145.10115	19.2
145.12985	1.9
147.08086	3.5
147.11690	17.0
147.15868	1.9
149.09608	27.2
149.13234	2.6
151.11189	3.8
153.09215	2.6
157.10100	5.3
159.11676	11.5
161.13237	5.0
163.11176	9.1
165.09088	2.7
165.12801	2.3
171.11725	5.2
173.05994	2.1
173.13222	6.7
175.02821	2.3
175.11107	4.3
177.12735	2.7
181.12259	2.3
183.11708	3.4
185.13266	2.3
189.11201	18.7
191.06836	1.9
193.03799	2.2
193.12212	2.8
201.12805	2.3
203.07030	6.2
203.12811	6.4
221.08049	14.8
223.13251	7.8
229.19461	3.7
237.11084	2.6
239.17960	7.3
247.20676	3.4
257.18933	10.8
275.12955	2.7
275.20053	94.6
276.20343	3.6
293.10519	2.4
293.13751	3.7
293.21005	30.3
311.11661	1.9
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
53.03942	6.1
55.01860	6.9
55.05513	24.7
56.86374	1.5
56.96552	1.8
57.03424	3.9
57.07063	3.4
58.25189	1.5
65.03941	1.8
67.05503	47.5
69.03425	3.9
69.07069	24.4
70.07525	4.9
70.07931	3.6
71.04977	5.8
78.46803	1.6
79.05492	48.1
80.46602	1.5
81.03407	5.0
81.07055	100.0
83.04963	5.8
83.08620	16.0
85.06529	3.9
91.05480	37.3
93.07044	35.4
95.04967	25.2
95.08604	30.4
97.06531	5.7
97.10168	4.8
99.08089	2.1
105.07030	37.1
107.04945	14.0
107.08583	21.7
109.02872	2.6
109.06521	27.8
109.10172	16.8
111.08070	6.3
115.99397	1.8
117.07012	8.4
119.08575	31.2
121.06507	9.0
121.10133	16.2
123.08099	11.9
123.11717	7.7
125.09628	2.8
129.06987	3.4
131.08565	12.9
133.06506	2.5
133.10124	23.0
135.08040	4.7
135.11690	6.6
137.05984	16.6
137.09605	9.5
141.06984	2.4
145.10153	12.4
147.07973	2.5
147.11693	17.2
149.09621	12.5
149.13280	4.5
151.11153	5.9
155.08568	2.1
157.10146	4.8
159.11684	9.7
161.09625	2.4
161.13272	4.6
163.11180	9.1
165.12750	3.4
169.10062	1.8
171.11658	3.0
173.09666	1.7
173.13219	7.4
175.11171	3.9
177.12801	3.9
179.14433	1.8
183.11771	2.1
187.11169	1.7
193.12227	3.8
201.12643	1.9
205.15919	3.1
209.11784	1.8
219.17432	1.9
221.15556	1.7
229.19463	3.4
239.18028	3.9
247.20595	5.6
257.18927	7.7
275.16843	3.2
275.20032	66.4
276.20557	2.6
293.21091	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	293.2109
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03938	4.4
55.01871	18.2
55.05505	30.0
56.33459	2.1
56.96571	2.9
57.03428	2.7
57.07067	3.5
65.03927	3.7
67.05500	40.3
69.03427	3.7
69.07069	71.3
69.27374	10.6
69.27802	13.2
71.04992	5.8
71.26028	2.2
79.05061	3.5
79.05491	46.3
81.03411	11.8
81.07059	40.4
83.04973	8.2
83.08623	13.6
85.06541	3.8
91.05479	34.2
93.07037	48.2
95.04967	77.4
95.08598	28.5
97.06533	20.9
97.10176	12.9
97.10701	2.3
98.97572	2.2
103.23641	2.4
105.07030	39.2
107.04964	18.5
107.08589	62.0
109.06502	12.9
109.10139	16.6
111.08050	4.1
117.07026	14.9
119.08581	25.1
121.06498	6.8
121.10144	20.9
123.08080	6.2
125.09633	8.2
130.92197	2.5
131.08575	13.6
133.10138	23.0
135.08047	21.9
135.11682	6.2
139.11150	6.3
143.08543	2.5
145.10091	15.3
147.11737	14.3
149.09631	18.0
151.11198	8.5
157.10153	5.0
159.11687	9.6
159.83289	2.6
161.09567	3.1
161.13257	4.3
163.11227	4.9
165.09163	3.5
171.11636	3.3
173.13258	8.9
177.12741	7.1
181.12276	3.4
183.11617	2.3
189.11197	5.9
191.14241	2.9
201.12775	3.1
203.12752	2.7
207.13841	5.5
219.13832	4.2
219.17448	3.4
225.14899	5.2
237.14886	28.6
239.17955	5.5
247.20609	7.4
257.19067	11.8
275.20059	100.0
276.20639	2.9
293.11884	2.4
293.21112	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.13850	2.9
55.01867	28.5
55.05258	3.7
55.05511	32.4
56.96566	3.4
57.07071	20.4
65.03950	2.9
67.05497	40.3
68.87640	2.9
69.07067	20.0
70.14143	14.5
71.04979	3.5
74.85672	3.3
79.05485	52.2
81.03408	8.0
81.07053	46.7
83.04974	11.1
83.08633	17.2
87.37785	3.2
91.05482	38.5
93.07047	30.9
95.04954	13.6
95.08611	21.6
97.06525	24.0
97.10181	15.3
105.07037	40.8
107.04939	17.8
107.08583	83.8
109.06498	12.4
109.10160	13.0
111.04428	10.2
111.08090	4.5
117.06987	16.2
119.08587	23.3
121.06475	3.6
121.10152	10.7
123.08073	10.8
125.09645	15.5
131.08539	12.1
133.10114	21.4
135.08018	5.2
135.11678	9.5
137.05959	42.1
137.09566	4.8
143.08525	3.6
145.06487	3.8
145.10121	9.7
147.11650	10.4
149.09608	23.3
149.13251	4.0
151.11147	10.6
153.05463	5.8
157.10040	3.1
159.11679	9.4
161.09644	6.5
161.13197	5.1
163.11201	10.8
165.09135	8.9
171.11717	4.2
173.05943	7.6
173.13257	5.2
175.07582	6.6
181.04948	9.0
181.12233	4.1
187.11217	4.5
189.11206	11.8
191.10703	9.7
203.07034	14.5
209.11673	20.7
219.10167	3.2
221.08086	52.6
229.19518	4.3
237.11195	34.6
239.17932	6.9
247.20491	6.0
251.23611	3.0
257.18985	8.6
264.30991	3.2
275.12796	8.6
275.20038	100.0
293.14017	7.2
293.21133	25.8
311.08096	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	293.2108
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03933	8.0
55.01873	30.9
55.05510	21.6
56.96560	5.4
57.03427	4.8
57.07055	5.9
65.03973	2.2
67.05500	46.3
69.07059	29.5
70.36062	9.7
71.04967	3.6
79.05491	47.4
81.03399	12.0
81.07049	48.4
83.04960	9.0
83.08624	12.5
85.06535	4.5
85.10228	2.4
88.07639	3.4
89.07951	2.7
91.05479	28.3
91.27297	2.3
93.07043	33.9
94.07348	2.6
95.04964	20.4
95.08596	37.5
97.06532	34.0
97.10152	9.8
105.07034	31.4
107.04954	28.8
107.08590	49.4
109.06548	12.1
109.10180	11.7
111.08060	3.7
116.98569	3.8
117.07018	13.7
119.01900	3.3
119.08568	22.8
121.06487	6.5
121.10114	15.9
123.08028	11.4
123.11703	4.0
124.37767	2.5
125.09615	9.9
129.06998	4.8
131.08571	14.0
133.06493	4.5
133.10118	18.3
134.99640	5.5
135.08029	7.3
135.11688	11.9
137.05946	10.1
137.09630	5.6
141.06993	2.9
143.08575	2.8
145.10118	14.3
147.11684	12.6
149.01279	3.3
149.09642	25.5
149.13275	6.6
151.11150	12.4
157.10121	4.5
159.11699	12.4
161.09633	3.7
161.13281	4.9
163.11197	9.8
163.14786	2.7
165.09103	10.7
173.13243	9.1
175.11180	3.1
177.12689	3.4
187.11214	5.8
189.11298	3.3
200.14754	2.4
205.10233	2.8
205.12375	2.3
218.07257	2.9
219.17557	3.3
229.19485	7.5
233.06490	2.7
233.09566	5.0
239.17868	3.4
245.25829	5.1
247.20573	10.5
251.07823	3.3
257.19101	11.9
260.02112	2.5
261.09009	7.4
265.12115	5.5
271.12103	3.1
275.20062	100.0
276.20416	4.4
293.11673	15.4
293.21130	32.0
293.27695	21.5
302.71277	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
53.36150	0.4
55.05497	1.2
56.05016	0.4
56.96548	0.6
57.03429	0.9
60.04502	0.4
67.05495	0.8
69.03435	0.6
69.56850	3.4
70.06587	1.0
71.06117	0.5
72.04505	1.6
74.02449	0.7
79.05064	0.5
79.05495	7.7
81.07023	1.2
82.02935	4.5
84.08114	1.2
91.05477	8.9
92.05788	0.5
92.08080	0.4
93.07043	16.4
95.04998	1.9
97.06534	0.5
98.21473	0.7
98.97570	0.9
99.05576	47.2
103.05477	0.8
105.04509	0.7
105.07032	14.6
107.04980	0.4
107.08583	1.4
109.06501	0.6
109.10160	0.5
110.06019	0.4
112.47951	0.4
115.05434	0.5
116.98609	0.9
117.07011	1.2
118.05026	0.7
119.08583	10.8
120.08045	0.9
121.06507	8.6
121.07412	0.7
121.07716	0.4
121.09303	0.8
121.10137	11.1
127.05005	0.4
131.08571	3.2
134.99614	0.5
137.09680	0.4
145.06079	34.4
147.09161	0.9
148.11333	0.4
149.09621	1.1
165.10202	0.9
173.05536	2.0
184.11124	0.4
201.00766	0.5
211.10736	2.3
233.08167	0.5
247.10718	0.7
247.14430	1.2
273.82355	0.5
275.13745	0.5
293.14948	100.0
294.15424	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1493
Annotation	Antibiotic RK 441
Peak:m/z	Relative Intensity
53.03938	0.9
55.05501	1.6
57.03431	0.9
67.05500	0.9
69.28906	2.3
69.29333	1.3
70.06582	0.7
71.06134	0.5
72.04512	1.6
74.02435	1.0
79.05495	8.1
81.03423	0.7
81.04530	0.4
81.07039	0.9
82.02943	4.1
83.04982	1.0
83.06097	0.5
84.08179	0.4
91.05481	7.2
93.07043	19.1
94.06590	0.4
95.04958	1.6
96.04404	0.3
97.06507	0.5
98.21514	0.9
99.05576	46.3
103.05470	0.7
105.07030	16.5
107.04926	0.4
107.08591	1.6
109.06522	0.4
116.06251	0.7
117.07027	1.7
118.04993	0.5
119.08582	11.1
119.09450	0.6
120.08091	0.4
121.06512	8.9
121.10138	12.9
127.05038	0.6
129.07016	0.4
131.08569	3.8
142.12961	0.4
145.06081	37.0
147.09142	0.8
148.11179	0.6
149.09616	1.5
165.10234	1.1
173.05663	2.0
176.10796	0.4
211.10701	0.9
226.31076	0.4
247.10765	0.5
247.14470	1.3
248.12672	0.4
275.13736	0.5
275.16537	0.5
293.14951	100.0
294.15424	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03925	6.7
55.01882	11.1
55.05509	28.9
57.03413	3.0
62.52945	2.4
67.05166	3.5
67.05500	46.3
69.07063	21.9
70.17177	10.0
71.04977	4.3
79.05490	47.0
81.03397	6.3
81.06576	4.3
81.07054	71.2
83.04961	6.8
83.08607	16.9
85.06561	3.3
91.05470	31.0
91.08153	2.2
93.07038	36.8
95.04951	20.4
95.08602	27.4
97.06534	16.7
97.10152	9.2
100.85066	2.2
105.07022	40.5
107.04935	13.8
107.08591	38.7
109.06510	18.4
109.10146	14.3
111.08050	4.6
111.48827	2.4
117.07005	9.6
117.97428	2.4
119.08562	22.8
121.06466	5.9
121.10178	14.4
123.08054	8.2
123.11702	3.1
125.09603	8.3
129.07016	3.3
131.08578	18.2
133.06470	3.5
133.10138	22.8
135.08038	5.0
135.11691	6.0
137.09602	7.1
145.10130	15.1
147.11696	12.5
149.09621	19.6
149.13191	3.7
151.11177	9.5
157.10168	4.8
159.11691	10.9
163.11188	11.1
163.17464	2.3
173.13269	5.9
175.11075	3.5
177.12782	6.1
183.11719	3.5
189.11168	5.5
197.13315	2.9
229.19438	6.1
233.19157	2.5
239.17955	6.6
247.20576	10.0
257.19058	12.6
268.32779	2.6
275.20056	100.0
276.20413	5.1
293.21085	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.063
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98707	2.7
70.32344	2.4
71.11554	4.9
73.27941	2.5
88.10370	2.5
109.60826	2.6
145.03450	3.7
161.03026	3.8
161.99496	4.9
191.03943	4.5
253.08484	2.5
293.06308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1384
Annotation	Curvularin
Peak:m/z	Relative Intensity
51.16422	0.7
53.70184	0.7
55.01868	1.5
55.05494	2.8
56.96562	1.6
57.03419	1.3
59.04990	3.0
63.90343	0.6
67.05508	5.9
69.03442	5.0
69.07067	4.5
71.04975	1.7
71.18290	1.0
79.05498	4.8
81.03419	1.7
81.07059	8.0
83.04976	1.0
83.08601	1.4
85.06520	0.7
91.05473	7.4
93.07037	6.6
95.04955	2.2
95.08618	6.4
97.06547	1.3
97.10164	1.1
98.97610	0.9
101.06031	0.8
105.07029	6.4
107.04942	2.1
107.08602	5.0
109.02895	0.9
109.06502	1.5
109.10148	4.4
111.08062	1.5
115.05447	3.8
117.07009	8.5
119.08576	4.2
121.06486	2.1
121.10156	3.5
123.08058	1.3
123.11656	1.7
124.02602	0.6
125.09674	0.9
128.06190	2.5
129.06998	6.3
131.04948	1.1
131.08586	4.3
133.02899	0.9
133.06499	1.0
133.10071	2.3
134.99663	1.3
135.08025	1.1
135.11687	2.5
137.05984	0.9
143.08496	1.1
144.05630	1.0
145.06485	8.6
145.10121	1.6
147.08029	4.6
147.11647	1.3
149.05946	2.7
149.09656	1.3
159.08081	9.7
159.11714	0.7
161.05965	8.5
161.09587	5.0
163.07605	4.3
169.10106	1.4
173.05984	17.4
174.03041	0.8
174.06657	0.9
175.07542	10.3
175.11162	1.1
177.05508	2.0
177.09125	2.0
179.08528	1.0
182.07230	0.7
187.07550	23.0
188.08255	1.0
189.09097	2.9
191.07033	11.5
196.08789	0.9
197.09650	1.6
199.07515	1.6
200.04657	1.5
201.12749	1.4
203.07027	27.7
203.10692	2.9
203.14220	1.3
205.04991	1.4
205.08609	17.1
205.10536	0.8
209.08109	1.4
211.11156	1.9
214.09782	1.1
215.07027	36.6
216.07344	1.5
217.08594	3.1
219.13776	0.7
221.08089	100.0
222.08598	1.3
225.08969	1.7
225.14966	0.7
227.07048	2.1
229.12231	9.3
231.10167	2.4
231.13800	5.6
233.08086	60.7
234.08476	1.2
235.09613	2.7
239.10680	4.7
242.09357	2.5
247.13219	3.5
257.11725	25.6
257.18964	0.9
266.94196	0.7
273.89304	0.8
275.12775	92.8
275.20068	2.4
276.13055	1.8
293.08432	1.6
293.13916	20.2
293.21201	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	292.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	37.4
56.96822	2.0
65.50576	0.6
67.05463	0.8
69.52116	3.7
69.52527	1.5
71.95251	3.9
72.95993	2.1
74.97580	0.8
79.05454	0.7
81.03400	0.8
81.07012	1.1
84.04435	0.8
84.95978	0.7
91.05389	0.7
93.07021	0.9
95.08553	0.8
95.48381	0.6
105.64502	0.6
108.08890	0.7
110.97572	0.7
111.08085	1.0
115.00644	1.1
115.84270	0.6
116.98601	0.6
123.01131	0.7
131.00092	0.7
133.01689	1.4
134.99606	1.4
137.02690	2.0
141.02240	1.2
146.99640	0.9
147.03175	0.9
149.01074	0.7
151.07492	0.9
152.07826	0.7
155.03717	2.6
159.03244	1.3
167.02350	0.7
167.03796	0.9
169.05334	0.8
171.03171	0.7
173.04826	1.6
187.06355	1.0
195.06953	1.6
199.06404	2.0
201.07947	0.7
203.05809	1.7
207.13744	0.7
208.14075	0.9
213.06076	1.0
213.07973	20.6
217.07472	3.8
219.26466	0.6
221.08484	0.7
223.09891	0.9
225.07913	6.4
225.11456	0.8
231.09018	36.6
233.09125	0.6
236.09543	1.9
239.09468	4.1
241.11011	0.9
243.09021	5.4
251.09448	10.1
254.10658	2.3
257.10553	3.8
269.10574	100.0
270.10907	1.1
274.18185	0.7
287.11624	90.6
288.12183	0.9
292.12216	15.7
292.19476	1.0
293.12357	0.6
295.85980	0.6
310.13181	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	292.1289
Annotation	H-TRP-SER-OH
Peak:m/z	Relative Intensity
51.24321	1.3
56.05013	1.7
56.96546	3.9
60.04525	31.9
69.03421	1.8
70.02942	2.6
70.06580	6.8
71.55938	1.5
71.56274	2.1
72.08146	4.7
74.02414	1.9
74.34015	1.2
79.05478	1.5
81.03415	1.8
82.06573	2.4
83.04986	3.6
84.04515	4.0
84.08123	3.6
85.04025	5.2
86.09712	7.0
91.05465	2.7
93.07040	2.7
97.02874	1.5
104.64367	1.6
107.04931	1.8
107.08584	1.4
110.07132	2.0
114.09168	7.5
114.12792	1.7
115.05025	8.3
116.43034	1.2
118.05021	2.3
118.06553	12.7
120.08109	2.0
123.04436	3.3
123.15975	1.4
124.04742	2.2
129.10202	2.3
130.05020	3.0
130.06516	13.5
132.04401	1.4
132.08073	15.7
139.03882	3.7
140.04245	4.6
142.06531	2.5
144.08067	15.1
146.06007	54.7
147.04393	5.4
148.04829	1.7
158.08412	2.7
159.09158	12.2
160.07573	2.3
163.03972	2.5
170.06006	5.8
183.09193	2.9
187.08705	2.5
188.07054	100.0
204.10231	1.5
205.09720	52.1
241.03825	2.1
245.09160	4.4
246.12396	12.3
247.07343	1.7
257.05588	3.0
268.99573	1.6
274.08276	1.8
274.11923	3.8
292.12866	15.5
292.15704	1.6
292.19098	3.9
293.14886	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	292.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03469	4.2
55.01874	2.2
55.05508	0.7
56.05035	3.5
56.96561	1.7
58.06590	0.7
66.74900	0.6
67.05505	0.8
69.03425	2.5
70.06599	2.0
70.15755	2.4
71.01360	0.6
71.06121	1.7
72.04513	12.1
72.04862	0.4
72.08157	3.2
73.02916	2.2
74.02437	46.2
74.06052	0.5
79.05476	1.0
81.03414	3.9
82.02454	0.8
82.02935	13.6
82.03404	1.0
82.06562	1.2
83.01328	2.4
83.04993	0.9
83.06104	1.7
84.04498	69.5
84.08133	2.0
85.02904	3.0
86.09699	0.7
88.03992	0.8
91.05462	0.8
95.01350	0.8
95.04974	1.1
96.04511	0.6
97.02905	0.9
98.97601	0.6
99.05571	62.6
100.03973	20.5
101.02372	1.6
101.07131	0.8
102.05528	2.1
107.04954	1.3
109.02885	2.8
109.07625	0.6
110.06043	0.9
110.07163	1.3
111.04461	0.8
111.72353	0.6
114.05505	0.7
116.98592	0.6
117.06604	9.9
118.05011	28.2
119.03442	0.6
119.04932	1.2
123.04445	1.7
128.00330	0.7
128.03448	2.1
129.06569	0.6
130.04990	17.7
130.08588	1.2
131.03452	0.6
135.04407	1.2
138.05486	4.9
145.06073	19.1
145.07576	1.4
146.04474	100.0
146.16449	0.8
147.04347	4.1
147.07664	2.6
148.06062	0.7
148.84859	0.6
151.03918	4.1
154.45137	0.6
155.08101	0.9
156.06543	2.3
161.01180	0.8
163.03954	1.9
163.07130	83.6
165.06607	3.3
166.04974	2.2
182.20334	0.5
183.07677	1.4
184.06059	2.3
194.04492	1.2
196.22470	0.5
204.10172	2.2
211.07127	6.1
227.05487	5.4
229.08154	4.2
230.06566	1.8
237.02502	0.6
239.05435	2.2
245.06569	6.7
257.07809	4.0
258.06342	0.6
269.09686	0.6
274.10172	2.1
275.08673	2.8
275.17337	1.3
292.08578	0.7
292.11356	8.9
292.20062	1.5
299.24161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03931	6.6
53.85241	3.1
54.48552	3.5
55.01870	20.1
55.05499	22.4
56.96558	8.2
57.03422	12.6
65.03928	9.9
65.68032	3.4
67.05165	6.2
67.05502	77.3
69.03425	8.1
69.07059	10.4
69.50026	14.9
69.50463	16.3
71.04978	7.3
73.17639	3.9
79.05488	60.9
81.03430	5.9
81.07049	77.4
83.04979	8.8
83.08605	6.7
85.06521	6.8
91.05481	51.1
93.07034	44.7
95.04963	100.0
95.08603	29.3
97.06513	8.2
97.10152	5.0
104.60635	3.6
105.07034	38.1
107.04941	35.0
107.08577	33.8
109.06506	91.7
109.10148	9.2
111.04465	3.7
111.08095	6.9
115.05390	6.3
116.98634	4.9
117.07008	17.2
119.08563	26.8
120.79243	3.8
121.06512	11.4
121.10143	10.4
121.83652	3.8
123.08098	10.2
123.09169	5.2
128.88509	3.6
129.06967	9.1
131.08586	27.7
133.06438	9.6
133.10117	15.3
135.08041	83.5
135.11673	9.4
137.09741	5.5
137.10674	18.8
139.07513	4.2
143.08548	13.4
145.10109	21.9
147.04395	4.2
147.08037	17.0
147.11610	4.4
149.09598	11.1
151.07468	6.5
157.10132	11.0
159.08098	5.1
159.11658	8.4
161.09584	14.9
163.11076	4.4
171.11716	6.0
177.12645	5.3
180.10210	5.7
189.12723	4.1
199.11163	4.4
199.14793	6.7
207.13742	4.9
217.15916	17.5
227.17870	3.6
245.18962	7.0
249.23236	46.7
255.17543	7.0
273.18506	41.1
284.71606	3.6
291.10117	12.3
291.16367	2.7
291.19504	76.7
291.27170	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	291.2316
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.02352	1.1
53.03931	2.9
54.62046	0.8
55.05267	1.2
55.05506	18.3
57.07052	3.4
59.04992	2.2
61.19008	1.0
65.03933	2.2
67.05501	39.3
69.06713	1.1
69.07063	14.3
69.34908	8.9
73.06535	1.5
79.05489	76.9
81.07054	50.8
83.04970	1.0
83.08610	7.3
83.73345	0.8
85.06519	3.9
90.22233	0.9
91.05473	26.8
91.59384	0.8
93.07038	100.0
94.07356	1.2
95.04958	10.0
95.08602	33.9
97.06506	2.0
97.10176	4.5
105.04496	1.6
105.06376	1.5
105.07020	19.6
106.20210	0.9
107.08588	57.8
108.08902	1.1
109.06503	3.7
109.10148	12.0
111.08037	1.1
115.07560	1.9
117.07018	3.4
118.07870	0.8
119.07793	1.1
119.08577	14.7
119.50727	0.8
121.10136	45.6
123.08035	1.8
123.11674	3.8
125.09589	1.5
129.06982	2.4
129.09195	0.9
131.08568	6.0
133.10123	12.9
135.08018	2.8
135.11685	56.8
137.09615	2.6
139.11188	1.3
143.08514	3.1
145.10136	4.9
147.04327	1.6
147.08075	1.1
147.11694	8.3
149.09613	4.4
149.13248	35.1
151.07518	1.1
151.11154	2.2
157.10112	2.0
159.11707	5.2
161.09674	1.2
161.13255	7.2
163.11174	3.3
163.14827	9.1
171.11655	3.7
173.13258	2.8
175.11122	2.5
175.14804	4.5
177.12747	3.4
177.16380	1.0
185.13208	3.9
189.12653	1.3
195.13841	1.9
199.14825	2.4
203.10551	1.2
203.14339	1.9
207.13794	1.3
209.15375	2.1
213.16327	2.1
217.15845	2.3
217.19571	1.5
221.15334	1.5
227.75096	1.0
231.17430	2.0
233.15305	1.3
235.16823	1.5
241.19530	4.8
249.18494	7.6
259.20535	10.8
277.17886	1.3
291.10367	1.3
291.19690	5.0
291.23138	59.5
292.23425	2.3
306.61902	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2315
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.73302	1.5
53.03936	5.0
53.46912	1.6
55.05513	16.7
55.89449	1.5
56.62923	1.5
57.07069	1.9
67.05169	2.7
67.05504	37.2
69.07067	15.3
70.45644	1.6
71.51517	2.2
72.44785	1.6
73.06546	2.0
79.05488	68.0
81.07054	46.5
83.04932	2.2
83.08615	10.1
83.71554	1.6
85.06525	4.6
91.05475	25.4
93.07039	100.0
95.04951	6.3
95.08601	32.5
97.06519	2.2
97.10141	3.9
105.07021	18.9
107.08588	63.1
109.10146	14.4
117.07001	3.4
119.08588	14.9
121.10136	46.7
123.11697	6.2
131.08530	5.6
133.10107	13.7
135.08086	1.9
135.11679	55.4
135.12700	3.0
137.09624	2.1
137.13292	2.3
143.08531	3.3
145.10138	6.4
147.11681	11.5
149.09602	4.3
149.13249	34.7
157.45340	1.6
159.11703	3.7
161.13260	8.1
163.11206	4.6
163.14865	10.0
171.11569	2.9
173.13258	3.2
175.11208	1.9
175.14815	6.1
185.13254	4.1
189.12703	2.4
207.13739	2.2
209.15295	2.7
213.16382	2.0
217.19518	2.4
231.17395	2.2
241.19450	5.3
249.18542	2.5
259.20529	8.9
281.06525	1.8
291.19882	3.9
291.23160	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	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03925	3.1
55.01861	4.2
55.05513	17.5
56.96573	10.7
57.03430	3.8
57.07070	3.3
67.02659	1.9
67.05511	17.8
68.25510	1.9
69.03420	6.4
69.07064	21.3
71.05002	5.4
71.59275	2.1
79.05500	24.3
81.03404	8.6
81.07057	37.4
83.04976	7.4
83.08592	9.7
84.04475	3.7
85.02905	4.3
85.04803	2.2
85.06523	5.0
91.05482	20.4
93.07040	40.3
94.75529	2.3
95.04969	6.5
95.08608	26.6
97.06528	8.0
97.10171	5.5
98.97585	17.9
99.08108	2.0
103.05477	2.6
105.07030	25.8
107.04954	7.3
107.08597	32.1
109.06515	33.5
109.10165	18.0
111.08086	3.4
111.11716	3.2
116.98604	16.3
117.07019	5.5
119.08576	15.2
121.06490	7.3
121.10141	54.8
123.08072	7.8
123.11684	7.6
125.09612	10.1
128.06252	3.0
129.06993	4.3
131.08597	14.5
133.06500	5.2
133.10104	13.1
134.86804	2.2
134.99654	12.4
135.08067	16.2
135.11676	7.2
137.09621	6.8
137.13248	3.5
139.11168	6.5
142.07761	3.1
143.08592	4.9
145.10107	12.3
147.04419	2.4
147.08032	4.8
147.11667	8.0
149.01230	2.3
149.09645	21.4
149.13248	5.5
151.07585	10.2
155.08539	2.6
155.10660	2.1
156.09357	3.6
157.10109	9.3
158.99606	2.5
159.08102	2.1
159.11662	4.8
161.01222	8.2
161.05977	2.2
161.09622	3.7
161.13249	3.3
163.11154	2.2
167.10680	100.0
171.11644	4.6
173.09596	2.6
173.13213	11.3
175.11171	7.9
175.14761	2.8
177.00732	6.9
183.11642	2.7
185.13353	2.8
189.00630	7.4
189.12779	3.4
190.33197	2.0
191.02264	4.0
191.10686	8.4
191.14377	3.9
201.00777	6.1
201.16014	2.5
207.01648	2.5
207.13834	2.4
211.10027	2.5
213.12772	2.4
215.14333	6.9
217.15913	3.3
219.01794	7.4
227.17880	2.9
233.15369	20.8
248.08304	5.8
249.02800	4.1
249.18500	4.1
255.17503	4.4
273.15546	2.6
273.18494	19.4
276.08035	3.2
291.10178	16.2
291.12930	3.3
291.16092	4.2
291.19519	53.9
291.22894	4.4
291.26666	6.0
298.08395	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
50.22527	0.2
53.03939	0.6
55.01877	2.3
55.05264	0.5
55.05511	8.4
57.03426	0.5
57.07077	0.3
59.04976	0.4
64.54626	0.2
67.05505	4.9
69.03421	1.0
69.07066	3.1
70.04869	1.1
71.04971	0.8
79.05057	0.5
79.05491	7.5
81.03402	0.8
81.07052	6.9
81.88983	0.3
83.04971	1.2
83.08620	4.0
85.06536	0.6
91.05484	7.2
93.07038	5.5
94.04218	0.4
95.04967	3.6
95.08591	2.4
97.06551	0.4
97.10167	3.6
103.05491	0.3
105.03382	0.5
105.07026	6.2
107.04956	3.0
107.08590	3.7
108.05698	0.5
109.06514	1.1
109.10136	1.1
111.08085	0.8
115.05444	0.8
116.06232	0.5
117.07036	2.5
119.04939	1.6
119.08589	5.3
120.05728	0.7
121.06498	2.0
121.10156	1.5
123.08078	1.3
125.09618	2.1
128.06201	0.5
129.07033	2.0
130.07828	0.8
131.04912	0.4
131.08568	3.8
133.06500	3.9
133.10133	1.7
134.07260	0.8
135.08058	1.0
135.11707	0.7
137.09630	0.3
142.07771	0.5
143.08525	1.4
145.10117	2.6
147.04387	0.6
147.08058	4.2
149.09581	1.1
151.07570	0.7
157.10109	1.1
159.08090	0.4
159.11671	0.6
161.09627	1.3
162.10399	1.5
163.11160	0.9
165.09123	0.5
171.11716	0.8
172.95259	0.4
175.11188	0.8
185.13298	0.3
189.11226	0.9
190.96271	0.5
199.11198	0.4
207.13913	0.4
223.13301	1.1
234.27069	0.3
245.19046	0.3
249.14977	2.1
249.17323	0.3
249.18578	0.5
255.17397	0.4
261.14832	0.6
263.16248	0.4
273.18491	3.7
291.19531	100.0
292.19922	1.4
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	Tuberatolide A
Peak:m/z	Relative Intensity
51.02372	2.5
53.03940	11.7
54.11301	2.4
55.01868	20.5
55.05259	4.6
55.05508	59.2
56.96561	6.2
57.03453	6.5
59.04983	3.3
65.03924	5.5
67.05502	62.6
69.03432	8.1
69.07065	28.5
71.04984	7.7
71.21279	5.5
79.05490	93.8
81.03400	6.5
81.07058	97.5
83.04974	10.9
83.08620	25.6
84.04502	3.9
85.02916	4.4
85.06555	5.8
91.05477	100.0
91.28737	2.5
93.07039	94.3
94.91409	3.0
95.04968	28.8
95.08604	52.9
97.06534	10.9
97.10172	23.7
98.97617	3.1
99.08124	2.9
103.05470	4.6
105.07024	82.1
107.04971	18.5
107.08592	46.1
109.06536	17.2
109.10172	13.7
111.08080	24.8
115.05450	11.8
116.06247	6.2
117.07008	57.1
117.72016	3.0
119.04913	5.2
119.08580	68.4
121.06499	24.3
121.10126	34.6
123.08049	24.4
123.11714	3.0
125.09626	16.3
128.06248	14.5
129.07007	28.6
130.07768	8.7
131.04974	3.5
131.07571	4.9
131.08559	79.9
133.06487	12.5
133.10123	24.6
134.99641	4.8
135.08029	17.1
135.11682	10.1
137.09628	7.9
139.11162	9.7
141.06969	6.0
142.07837	3.0
143.08553	57.0
145.06459	5.4
145.10114	87.2
147.08038	27.6
147.11722	11.0
149.09615	12.3
151.07536	50.6
151.08653	4.4
151.11333	2.9
155.08513	5.7
156.09375	5.6
157.10112	19.2
159.08055	8.9
159.11673	21.1
161.09641	19.9
161.13214	4.0
163.11203	8.2
169.10100	7.4
171.11688	14.4
173.09631	3.5
173.13133	5.6
175.11182	9.9
181.10124	8.2
183.11632	3.0
185.13275	7.5
189.11281	5.7
189.12779	14.8
191.70041	3.1
195.11665	9.6
197.11696	6.1
199.11241	3.5
199.14818	3.6
202.07805	5.2
203.08640	6.1
207.13837	26.9
211.14749	4.2
213.12709	5.4
219.08060	4.3
227.17963	7.5
231.08031	10.9
233.15428	8.9
237.16391	12.0
245.19006	6.0
248.08284	5.6
249.14862	6.7
255.17462	17.2
258.06732	4.6
259.07492	11.3
260.08359	7.0
273.18491	57.3
273.21216	4.7
276.07730	6.5
291.10156	36.4
291.12955	5.2
291.19531	77.1
291.26712	2.9
292.19815	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	291.1951
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03932	1.0
53.77594	0.7
55.01879	0.8
55.05494	3.8
57.07060	2.5
59.04981	2.4
59.99181	0.8
67.05499	5.1
69.03432	1.9
69.07064	1.9
70.85139	2.1
71.04967	3.0
79.05474	3.3
80.57420	0.8
81.07059	5.7
83.04984	1.2
83.08601	2.3
85.06526	2.2
89.40143	0.8
91.05460	5.3
91.98085	0.8
93.07034	7.5
95.04956	4.2
95.08600	12.4
97.06500	3.0
105.07024	9.3
107.04951	5.6
107.08061	0.7
107.08609	6.6
108.05723	1.0
109.06496	5.2
109.10123	3.2
111.07363	1.5
111.08077	23.8
113.05995	1.0
115.05425	1.1
117.06997	2.0
119.08575	7.6
121.06491	1.5
121.10130	6.5
122.07262	3.0
123.08057	34.9
123.11698	1.1
125.09684	1.3
129.07019	1.5
131.08588	5.1
133.06436	3.1
133.10141	5.0
135.08037	4.7
135.11659	3.6
137.09633	4.4
143.08536	2.2
145.10086	10.2
147.08003	2.5
147.11696	5.5
149.09647	5.3
151.07530	100.0
153.09056	1.1
156.09273	1.3
157.10101	3.6
159.08009	1.8
159.11681	2.5
161.09604	3.7
161.13120	1.1
163.11203	4.1
165.09056	1.2
171.11633	2.9
173.13245	3.9
174.10382	2.2
175.11183	3.4
177.09096	1.7
177.12769	1.0
179.10632	6.2
181.12083	1.6
185.13248	1.1
187.11169	2.5
187.14790	1.2
189.12733	27.7
190.13316	0.8
191.10664	1.3
191.14270	3.7
192.11432	5.8
197.11708	15.7
197.13373	1.8
203.08528	0.9
203.14320	1.3
207.13783	68.0
213.16386	2.3
215.14252	2.9
217.12210	2.8
231.07912	1.1
231.17339	1.4
233.15331	10.3
235.13359	1.1
235.60129	0.8
255.17450	2.8
259.07562	1.2
273.15018	1.3
273.18442	6.1
291.10159	4.9
291.19476	36.8
294.17090	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.01849	1.9
55.05297	0.8
55.05511	8.2
57.07084	0.9
67.05496	4.7
69.07059	3.7
71.04987	0.7
71.08616	0.7
71.57900	0.7
71.60446	0.8
77.66273	0.6
79.05495	7.2
81.03384	1.3
81.07053	8.3
82.90853	0.8
83.04957	0.9
83.08629	3.6
91.05484	6.6
93.07035	6.6
95.04948	2.9
95.08610	4.3
97.10185	3.6
105.07019	7.1
107.04971	3.7
107.08589	3.5
109.06527	1.1
109.10151	1.1
117.07008	2.4
119.04921	1.4
119.08556	4.7
121.06477	1.6
121.10114	1.7
123.08014	1.0
123.11708	0.8
125.09636	1.3
129.06990	1.6
131.08559	3.0
133.06494	3.2
133.10112	1.6
134.07191	1.1
135.08041	1.6
135.11679	1.0
137.09634	0.9
137.93242	0.8
145.10129	2.4
147.08041	3.0
147.11673	0.7
147.88770	0.7
149.09644	1.4
151.07559	1.1
152.63423	0.6
157.10168	0.8
161.09575	0.7
162.10428	1.0
165.09099	1.2
175.11095	0.9
193.10077	0.6
207.13879	1.1
223.13249	1.1
249.14828	1.7
249.18520	2.4
263.16525	1.1
273.18433	3.5
274.40811	0.7
291.19528	100.0
292.19858	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.6
53.00317	0.6
53.03937	2.1
55.01869	4.0
55.05506	6.5
56.96561	2.2
57.03433	6.4
57.07060	1.1
59.04994	2.0
61.02919	4.8
65.03912	0.7
67.05497	5.7
69.03423	1.7
69.07061	33.9
70.36312	1.7
70.36709	1.5
71.04985	1.6
77.03915	1.1
78.07284	0.7
79.05482	16.3
80.83570	0.6
80.87083	0.7
81.03407	2.1
81.07047	7.5
83.04957	1.1
83.08598	0.9
83.11961	0.6
84.04500	1.9
85.02901	1.1
85.04859	0.7
85.06521	2.8
87.08097	3.1
89.03913	6.8
91.05470	4.8
93.07034	3.8
95.04958	5.9
95.08594	4.1
97.02921	0.8
97.06524	90.8
97.10151	1.1
98.97578	2.4
103.05479	1.7
105.03387	1.6
105.07030	3.7
106.51523	0.6
107.04916	3.6
107.08580	4.0
109.06512	3.3
109.10151	2.9
111.08095	3.2
112.08837	0.8
115.05466	1.6
116.98608	2.4
117.03371	8.3
117.06979	1.9
119.04935	0.8
119.08570	2.8
121.06481	1.5
121.10130	2.7
123.08023	1.0
123.11649	1.2
127.03876	1.1
129.07001	1.9
129.09100	2.8
131.04926	2.1
131.08562	2.9
133.02835	6.2
133.06471	1.2
133.10132	1.9
134.99619	2.0
135.04411	13.2
135.08040	1.6
135.11705	1.5
137.09656	0.7
141.06961	1.1
143.08479	0.9
144.05696	0.7
145.02847	8.3
145.06430	1.0
145.10112	2.0
147.04379	3.9
147.08031	0.9
147.11662	2.5
149.09604	1.7
151.03926	0.9
155.08542	1.0
157.06467	2.0
157.10147	1.2
159.03221	0.9
159.04414	10.0
159.08046	1.1
159.11655	1.5
161.01308	1.9
161.02335	35.4
161.05966	1.8
161.09637	1.2
163.03891	52.6
169.06572	0.7
171.04422	0.7
173.02332	69.9
177.05421	0.9
178.07916	0.7
185.05959	3.6
186.03163	1.7
187.03860	1.8
187.07481	2.2
189.05475	2.4
191.03384	6.7
195.08080	0.9
197.05978	1.0
202.07716	1.1
203.08624	1.2
213.05525	0.8
215.07008	100.0
216.07367	1.2
217.04997	3.3
223.07439	1.2
233.06024	1.0
233.08066	5.8
241.08536	7.6
248.08472	1.1
255.17342	1.0
259.09680	14.5
263.10400	1.1
273.11288	1.1
273.18390	1.9
276.07776	1.0
291.09698	2.0
291.12729	5.0
291.19473	3.9
291.23184	2.2
293.01489	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03928	1.3
55.01839	1.2
55.05508	8.5
56.96551	1.6
57.07059	3.2
59.04987	2.2
67.05524	5.4
67.05813	1.0
69.03413	1.9
69.07041	1.9
70.20751	3.5
71.04983	3.0
71.35376	1.0
79.05473	8.4
81.06627	1.0
81.07054	8.2
83.04974	2.9
83.08611	8.9
85.02901	1.2
85.06524	2.7
91.05476	5.7
93.07047	12.2
95.04964	6.2
95.08595	17.3
97.06506	4.2
105.07027	11.5
107.04958	13.9
107.08577	9.8
107.15281	1.1
109.06515	6.8
109.10133	3.9
111.08073	39.8
113.09643	1.1
117.06998	1.9
119.08584	8.2
121.06485	3.3
121.10142	7.1
122.07277	1.8
123.08057	35.2
124.39474	1.0
125.09633	2.9
129.06990	1.2
131.08553	6.4
133.06459	3.6
133.10118	8.0
135.08063	5.7
135.11685	3.3
137.09579	2.1
141.05437	1.4
142.07764	2.0
143.08533	2.1
145.10107	5.1
147.08040	2.5
147.11662	5.4
149.09596	5.5
149.13193	1.3
151.07536	100.0
155.08580	1.1
155.10641	2.4
156.09297	2.5
157.10135	4.1
158.10905	1.2
159.08047	1.6
161.09645	3.7
163.11130	2.9
165.09155	1.0
167.10703	1.1
171.11667	3.3
173.09595	2.3
173.13239	4.3
174.10440	2.3
175.11163	6.3
177.09073	2.3
179.10640	4.3
181.12230	2.0
182.10902	1.3
189.12735	28.5
191.10684	1.3
191.14301	14.3
192.09679	0.8
192.11444	4.4
197.11703	12.8
197.13309	2.3
202.07707	2.0
203.08549	1.0
207.13795	66.7
213.16379	2.9
215.14323	3.7
217.12204	3.2
226.41457	1.0
231.08131	1.6
231.17331	1.9
233.15359	35.6
235.13365	1.5
248.08322	2.2
249.18422	2.9
255.17464	3.3
259.07703	2.5
260.08356	2.7
269.10559	4.1
273.18433	5.5
276.07886	1.2
287.11652	4.3
291.10257	7.7
291.19513	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65141	0.5
53.03933	1.2
55.01873	3.5
55.05511	5.2
56.96557	2.2
57.03432	6.4
57.33807	0.5
59.04987	2.3
61.02922	4.9
67.05503	7.3
69.03417	2.8
69.07062	36.2
70.06557	0.6
71.04984	2.5
71.59323	1.0
73.02958	0.5
77.03936	1.0
79.05492	17.4
79.61257	0.5
81.03400	1.8
81.07051	8.6
83.04961	1.0
83.08611	1.6
84.04498	7.1
85.02892	2.2
85.04288	0.5
85.04810	2.9
85.06551	3.0
86.73468	0.6
87.00803	1.0
87.08096	2.0
89.03905	8.8
91.05471	4.9
93.07048	4.7
95.04967	3.9
95.08600	3.6
97.02887	0.6
97.06524	89.6
97.10117	0.7
98.06048	0.6
98.06837	0.8
98.97563	2.1
99.04472	0.9
103.03939	0.8
103.05462	1.6
105.03414	1.1
105.04508	0.6
105.07021	4.1
107.04958	2.8
107.08576	3.8
109.02878	0.9
109.06519	2.5
109.10162	2.5
111.08045	3.0
115.05440	1.0
116.98609	2.5
117.03374	8.6
117.07005	2.0
119.04803	0.6
119.08591	3.6
120.36480	0.5
121.10157	2.8
123.04379	1.1
123.08072	0.9
123.11710	1.4
126.05510	1.0
127.03906	1.3
127.05839	1.3
128.06233	0.7
129.01804	0.8
129.07014	1.4
129.09100	3.3
130.05002	0.6
131.04915	1.4
131.08556	3.0
133.02849	7.3
133.06520	0.6
133.10081	2.8
134.99721	0.8
135.04417	14.1
135.08060	1.4
135.11697	1.5
137.09615	1.2
141.06926	1.1
142.07813	0.8
144.05548	0.7
145.02826	8.2
145.06378	0.9
145.10112	2.1
147.04425	2.7
147.07980	0.9
147.11656	1.4
149.13268	1.2
151.03831	0.7
151.11160	0.5
151.19960	0.5
157.03899	0.7
157.06496	1.1
157.10110	1.6
159.03209	0.8
159.04422	9.6
159.07996	1.0
159.11671	1.7
161.02330	37.5
161.09651	1.1
161.13251	1.2
163.03893	58.8
163.14789	0.7
164.04240	1.2
165.79202	0.7
167.08549	0.7
169.06670	0.9
169.10156	0.6
169.87778	0.7
171.11716	0.9
173.02336	78.0
173.13251	0.8
174.02748	0.9
175.04054	0.7
175.11128	0.8
177.05547	1.1
185.05934	3.8
186.03113	2.2
187.03889	1.6
187.07544	2.5
189.05441	1.4
191.03433	4.5
195.08034	1.1
197.05931	0.7
199.07613	0.6
205.04877	0.7
213.09047	0.8
215.07013	100.0
216.07338	2.3
217.05020	2.7
233.08015	4.7
241.08540	7.6
247.07674	0.6
259.07330	1.2
259.09695	10.5
260.08087	0.7
263.10089	0.6
267.01660	3.4
273.11252	1.8
273.14993	0.6
273.18469	1.7
276.07748	0.8
291.09406	2.4
291.12271	5.7
291.19513	3.6
291.23163	1.7
291.62701	0.6
309.13876	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0864
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
50.04391	0.6
52.82138	0.6
53.23933	0.5
53.25298	0.5
55.01858	2.3
56.96560	0.9
63.61932	0.7
65.03352	0.6
65.03944	0.7
67.05488	2.0
68.99778	1.8
69.03447	0.8
70.06583	0.9
70.10712	3.4
77.03909	1.3
81.07033	0.6
82.25220	0.6
83.04978	1.9
84.08144	2.2
91.05447	1.8
93.03397	1.5
94.06519	0.6
95.04962	2.7
97.02882	0.7
98.97577	1.4
105.03387	0.8
105.07008	0.8
111.04452	3.1
115.05441	1.2
116.98623	1.1
119.04953	6.8
121.02883	0.7
123.04430	69.0
124.04768	1.0
127.03911	1.9
131.04938	0.8
133.06454	1.7
137.02309	1.5
139.03900	100.0
140.04202	0.8
143.00186	0.8
143.04887	2.7
143.72427	0.6
147.04407	24.6
151.03899	3.1
153.05615	0.8
158.06041	0.6
161.06010	7.6
162.12733	0.9
163.03922	3.1
165.05475	14.5
169.04979	1.4
177.05460	0.8
179.07033	2.7
189.05501	3.0
194.08156	0.9
207.06525	6.7
249.07515	1.5
260.87155	0.9
273.07709	1.4
291.08563	5.2
291.20844	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.101
Annotation	Aurin
Peak:m/z	Relative Intensity
55.01860	0.6
55.05504	0.5
56.96559	0.8
57.03430	0.5
67.05481	1.0
69.07029	0.7
69.47495	2.8
79.05492	1.0
80.07933	0.3
81.07032	1.1
91.01743	0.3
91.05489	2.2
93.07016	0.9
94.24894	0.4
95.04964	0.7
95.08593	1.0
95.26350	0.4
96.01375	0.3
97.12440	0.3
98.21494	0.6
98.50287	0.4
98.97527	0.4
105.07024	1.2
106.98878	0.3
107.04946	1.0
107.08558	0.7
109.93463	0.3
115.05457	0.4
116.98611	0.5
117.06995	0.9
119.08525	0.7
119.51987	0.3
121.06459	0.3
123.08050	0.5
129.07011	0.4
130.04126	0.3
130.18120	0.4
131.04938	0.6
131.08543	0.9
133.10127	0.6
134.99629	0.4
135.08052	0.4
143.08536	0.5
145.10094	0.6
146.07285	0.3
149.09618	0.7
161.09660	0.5
163.62495	0.3
165.06996	1.3
177.06888	0.4
178.07715	0.4
179.08533	0.5
179.68661	0.4
189.06961	1.7
190.07767	1.2
191.08549	7.0
192.09328	2.8
194.07057	0.3
201.06987	0.4
202.07762	22.1
203.08548	23.5
204.09262	1.9
205.06496	3.4
205.10152	0.5
206.07202	0.7
207.03229	0.4
207.08093	0.5
207.13748	0.3
208.03551	0.4
213.06979	1.4
214.07718	0.5
215.08502	2.0
217.10013	0.3
218.07323	0.8
219.05907	0.6
219.08043	12.1
220.08804	8.9
221.06076	0.4
221.09521	0.7
222.06761	0.7
226.04543	0.4
229.06520	1.1
230.07286	4.3
231.08034	37.0
232.08772	8.0
233.05916	0.8
233.09550	1.3
234.06665	0.7
235.07498	0.6
235.11176	1.3
241.06560	0.6
242.07269	0.8
243.08089	1.0
244.08783	0.4
245.06053	0.4
245.09647	1.3
247.07541	8.8
248.08315	22.1
249.08859	0.8
257.06015	0.4
258.06778	4.3
259.07526	34.2
260.08295	38.8
261.05524	0.7
261.08859	2.1
262.09818	1.9
263.07813	0.6
263.10648	11.2
268.05695	0.5
273.09082	1.0
273.18536	0.9
274.09882	0.7
275.06998	4.7
276.07794	16.9
277.08194	0.7
290.09329	0.5
290.77048	0.3
291.10129	100.0
291.19037	2.5
292.10535	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	10.2
61.65448	4.7
70.06592	16.5
81.49283	5.1
85.86318	5.3
116.83643	4.9
121.22204	4.9
142.73590	4.5
161.01248	6.6
187.30377	5.6
231.01692	5.4
291.10733	100.0
292.27390	4.7
306.56540	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	291.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53846	9.3
55.01866	12.8
55.05509	14.7
55.92193	8.5
56.05036	13.7
56.96564	100.0
57.03433	9.5
60.04519	16.4
62.75631	10.0
67.05493	13.3
69.03416	19.3
69.07049	12.8
70.06582	35.9
71.04985	7.8
71.59139	13.3
72.04502	10.7
72.08151	10.8
74.02430	20.4
74.06075	16.9
81.03418	25.6
82.02960	10.3
83.04978	13.2
84.04494	58.4
84.08144	25.9
84.96013	13.0
85.02892	25.7
85.06526	9.7
86.09705	72.8
87.10043	29.5
88.03985	9.9
88.05973	8.0
91.05477	13.4
93.90952	8.6
97.02919	15.2
98.06082	14.0
98.97591	44.5
99.05569	32.6
99.91613	8.6
100.03991	15.1
101.07172	9.6
116.98623	46.3
119.04914	11.1
120.08112	10.7
127.03918	17.4
128.98592	29.9
130.04982	16.9
134.99635	48.1
135.04459	13.4
139.03870	10.5
143.00122	11.2
143.11769	18.2
144.12091	21.3
146.04466	41.4
146.99651	39.1
147.04416	37.0
152.29871	9.1
161.01205	33.4
163.03899	43.7
163.07133	19.0
165.00652	11.1
165.04381	17.5
174.13132	10.7
174.92987	9.1
177.00677	25.0
188.14772	28.6
189.00703	16.6
189.04358	9.7
195.01794	11.0
219.01768	24.3
237.02789	47.2
255.03995	11.0
275.22629	10.8
285.04852	9.7
291.08188	27.7
291.13086	31.5
309.08380	33.0
314.48883	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	291.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	10.9
55.05496	7.0
55.10724	5.0
56.05035	10.2
56.96568	43.5
57.69970	5.4
58.06590	9.3
68.05022	9.2
69.03425	100.0
69.07053	10.7
70.06579	27.0
71.04990	7.0
71.59151	8.8
72.04518	82.7
72.08143	12.5
73.02907	8.4
74.02449	31.4
74.64985	5.0
75.04484	6.7
79.05508	7.0
81.03427	36.9
82.02937	12.1
82.06576	28.5
83.01312	7.0
83.04964	9.8
83.08663	6.9
84.04498	22.6
84.08134	36.2
84.96030	7.8
85.02895	17.5
86.06020	9.5
86.09719	15.0
87.10022	7.9
90.94836	7.1
94.06582	5.6
96.04494	11.1
97.02896	15.9
98.06101	7.0
98.97578	65.3
99.04475	12.8
99.05570	25.7
100.03981	28.4
100.07594	11.2
102.05519	8.2
110.06047	16.9
110.97593	11.5
113.21891	5.4
114.05514	19.3
116.07114	6.4
116.98613	61.8
118.05027	23.4
119.01970	7.2
120.08067	8.7
126.48818	6.3
128.98605	16.7
129.05457	8.9
129.10248	11.6
130.04956	10.1
130.08594	6.2
134.99654	43.5
135.04393	5.5
136.06145	7.2
143.00130	10.8
143.08116	6.9
145.06081	12.4
146.04466	50.0
146.08089	11.2
146.99612	18.8
147.03383	6.7
149.01294	6.0
158.99663	18.6
161.01219	20.1
161.02718	6.2
161.09190	5.4
163.03938	12.6
163.07146	30.8
170.99663	6.8
173.05809	6.0
174.07399	5.8
177.00694	50.3
189.00716	18.6
189.04358	6.5
190.98537	6.0
194.08226	6.9
200.54924	8.2
205.10646	6.9
206.95897	6.8
207.01857	6.6
209.55391	12.7
216.05399	5.9
219.01755	11.2
230.95816	6.6
236.48868	5.3
237.00768	6.9
237.02806	30.1
249.02686	6.9
256.08072	7.7
267.03854	10.0
291.03922	8.2
291.08228	35.7
309.05069	5.8
309.08554	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	291.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.5
53.03934	0.6
53.38002	0.5
55.01874	2.8
56.96558	2.0
59.60852	0.5
62.62162	0.5
65.03923	1.4
65.55839	0.5
67.05515	2.6
68.99786	1.6
69.03427	0.9
70.06593	1.0
71.58701	0.5
71.59084	0.6
77.03918	0.6
81.03415	1.3
83.04979	1.9
84.04485	1.5
84.08142	1.9
86.09689	0.9
91.05465	2.0
93.03413	1.1
93.07079	0.7
94.06590	0.8
95.04973	4.1
97.02896	0.9
98.06072	0.7
98.97559	0.7
105.03415	0.7
105.07022	0.6
107.04965	0.8
107.34699	0.5
110.07171	0.7
111.00769	0.5
111.04430	3.6
115.05457	1.4
116.98610	1.1
119.04942	6.8
120.08092	0.7
123.04425	70.6
124.04821	0.6
127.03934	1.3
131.04897	0.8
133.06439	0.7
134.99617	0.7
135.04372	1.3
137.06013	1.1
139.03899	100.0
140.04231	1.5
143.00146	0.9
143.04913	2.6
146.04565	0.5
147.04407	24.0
151.03909	1.9
153.00720	0.7
153.05458	1.0
161.01218	1.9
161.05981	8.0
163.03906	5.5
165.05473	15.0
169.04967	1.1
177.05490	1.8
179.07016	3.2
181.04880	0.6
189.00690	0.6
189.05458	2.2
194.08167	0.5
204.10156	1.3
207.06522	7.5
208.24860	0.5
231.02997	0.6
231.06392	0.7
249.02866	0.7
249.07549	1.4
259.70236	0.5
267.03793	0.6
273.07587	2.2
273.12390	1.3
291.03903	0.6
291.08566	4.9
291.13434	2.7
291.16895	0.7
291.20502	0.6
309.04926	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.5
55.05516	6.1
56.96289	2.7
56.96564	44.8
57.07068	2.0
67.05508	7.6
67.83595	1.4
69.03419	2.6
69.07063	11.2
71.04966	2.8
71.59795	1.5
71.60197	1.4
71.95250	2.3
74.97627	1.2
79.05479	7.2
81.03400	3.0
81.07058	16.3
83.08611	3.5
84.04504	6.1
84.96030	3.9
85.02895	3.6
85.04831	2.6
91.05473	6.4
93.07039	13.0
95.04974	3.8
95.08604	12.4
97.06531	6.5
97.10150	3.7
97.96812	1.2
98.97580	95.0
100.78117	1.3
102.43073	1.3
105.07020	8.7
107.04945	1.6
107.08591	14.1
109.06522	2.9
109.10178	9.0
110.97559	2.7
111.08099	3.0
112.99171	1.1
116.98617	100.0
119.08592	6.4
121.01681	1.3
121.06483	2.9
121.10125	7.4
123.08027	2.1
123.11688	4.4
124.99145	2.3
125.09575	1.8
127.76543	1.1
128.98607	4.3
131.00179	4.0
131.08542	3.3
132.09317	1.1
133.10132	4.8
134.99652	75.5
135.08023	2.0
135.11679	7.0
137.09563	1.1
137.13237	1.4
140.00195	4.7
140.98607	3.6
143.00150	11.3
143.08546	1.8
145.10162	3.3
146.99657	6.6
147.08055	1.6
147.11664	3.5
149.01244	6.5
149.13258	4.4
153.00676	9.3
156.98131	2.7
157.10146	2.1
158.01228	4.7
158.07353	1.3
158.99640	10.7
159.11690	1.5
161.01221	57.8
161.09526	1.6
161.13297	2.8
163.03880	2.8
170.99628	10.0
173.01062	2.5
173.02370	5.0
173.09726	1.4
174.99164	7.1
175.11192	1.7
175.14882	1.5
177.00710	24.9
179.02292	15.9
182.99654	6.8
184.02823	3.9
185.01308	1.3
188.98997	2.0
189.00694	39.0
191.02217	2.7
193.00145	2.8
195.01701	8.7
200.02403	2.0
201.00705	40.4
202.07777	2.6
203.08557	2.7
207.01750	10.9
207.13844	1.3
212.02357	3.8
215.06976	6.5
219.01744	42.2
219.08022	3.5
220.08810	2.2
224.02321	2.8
230.07307	1.5
231.01649	2.9
231.08072	3.1
237.02756	8.5
242.03380	3.0
247.07356	2.9
248.08290	5.1
249.02792	29.3
259.07462	2.2
259.09882	2.2
260.08310	2.2
263.10574	1.8
267.03851	15.6
270.09335	1.4
272.04385	3.9
273.18594	1.9
273.21869	1.6
276.07803	4.5
288.70239	1.3
291.10095	16.4
291.12878	2.9
291.16104	2.6
291.19623	6.2
291.23196	5.9
291.26913	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.8
55.02117	0.6
55.05493	1.1
56.03908	0.7
56.96564	41.7
60.01683	0.7
60.21980	0.7
69.76762	1.7
69.77176	3.1
70.06601	0.9
71.95238	1.4
76.63530	0.6
81.03400	1.2
82.02916	1.3
83.04986	0.9
84.04487	2.5
84.08126	1.1
84.96021	2.6
85.02892	0.9
85.04833	1.3
86.09682	1.3
91.05476	3.4
98.02422	1.1
98.97581	100.0
101.01873	0.7
107.08583	0.9
108.25401	0.7
110.97570	2.2
112.99129	1.9
116.98616	86.9
119.04968	0.7
122.97590	1.0
123.04450	5.1
124.99142	2.4
128.98567	4.3
130.73695	0.7
131.00151	4.4
134.99651	56.2
139.03885	5.2
140.00174	3.0
140.98582	3.1
143.00154	12.2
146.99644	4.1
147.04422	2.9
149.01222	6.3
153.00725	5.8
156.98048	1.3
158.01300	2.1
158.99660	10.9
161.01215	51.0
163.04010	0.9
167.02240	1.3
168.10300	0.7
170.99646	10.2
173.01268	2.4
174.99103	5.2
177.00702	19.2
179.02275	14.4
182.99658	6.1
184.02870	1.8
185.01221	1.7
189.00702	34.1
191.02327	1.9
193.00333	0.9
195.01749	6.7
200.02229	1.0
201.00703	37.0
203.02373	1.0
207.01741	8.8
209.13036	0.9
212.02342	1.5
213.00742	0.8
213.12520	0.9
219.01762	39.3
224.02254	1.1
231.01714	3.7
237.02856	5.4
242.03381	2.7
249.02823	33.4
255.13493	2.4
267.03876	13.8
272.04434	1.5
291.10019	1.5
291.13293	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60416	0.4
53.03946	0.7
55.01859	0.5
55.05503	1.0
56.05017	2.2
57.03432	3.2
60.04516	2.0
61.02920	3.9
63.56909	0.4
68.99796	4.2
69.03415	1.7
69.54977	0.4
70.06587	0.8
70.95116	1.2
73.02922	2.4
75.04459	0.6
80.05035	0.9
81.03402	3.7
81.07060	0.5
84.04498	100.0
85.02897	15.0
85.04858	0.4
87.00815	6.1
96.04480	1.9
97.02878	4.6
98.06052	3.9
99.04403	0.9
100.03995	0.9
102.05602	0.5
103.03932	15.3
105.01875	2.0
108.04475	2.6
109.02851	3.1
110.06051	0.9
112.03963	0.5
113.64339	0.5
120.01994	0.6
126.05505	23.1
127.03912	2.5
129.01830	5.1
140.07137	0.5
144.06572	1.2
147.02859	4.7
150.05513	0.9
156.06601	1.5
168.06551	7.8
169.04889	0.6
171.02824	1.0
176.14371	0.7
186.07655	3.1
188.00986	0.6
189.03912	5.7
204.08685	3.3
208.27870	0.5
212.05582	0.8
228.08704	1.2
234.70576	0.5
240.94568	0.5
272.07632	3.6
277.62076	0.5
290.05695	1.1
290.08655	13.1
290.21112	3.1
290.26349	0.6
291.09332	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01860	0.7
55.05497	1.2
56.05035	3.2
56.96553	1.2
57.03428	2.9
60.04515	2.3
61.02926	4.3
68.05012	0.8
68.99784	3.8
69.03422	2.0
70.06584	1.7
71.04988	0.7
71.43520	0.8
72.04518	0.8
73.02924	3.2
74.06058	0.5
75.04462	0.8
80.05018	1.0
81.03421	3.5
82.06606	0.7
83.08556	0.4
84.04501	100.0
84.08140	1.1
85.02904	16.2
85.04832	0.6
86.09699	0.4
87.00826	7.2
91.05480	0.7
95.06126	0.5
96.04483	2.2
97.02894	3.9
98.06052	6.0
98.97580	2.9
99.04446	1.2
100.04002	0.8
100.74611	0.4
103.03941	15.9
105.01855	3.3
108.04443	2.6
109.02879	3.6
110.06046	1.5
112.04041	0.5
114.05522	0.5
116.98630	1.9
122.06070	0.6
124.03952	0.6
126.05510	29.2
127.03911	3.3
129.01842	6.0
130.06532	0.5
134.99695	0.7
140.07095	0.5
141.06531	0.5
143.00214	0.6
144.06564	1.5
145.04970	0.6
147.02887	4.3
150.05551	0.8
156.06580	1.9
161.01236	0.9
168.06557	10.7
168.13835	1.3
169.05016	0.8
171.02974	1.0
179.02351	0.5
186.07669	2.5
189.03935	4.6
201.00813	0.6
204.08672	3.0
212.05629	0.7
219.01762	0.6
228.08737	1.2
230.06734	0.7
249.02858	0.7
272.07666	2.8
274.14471	0.5
290.08682	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	290.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.8
56.05028	2.5
56.96574	2.0
58.06607	4.2
60.04522	5.1
65.20183	1.1
69.07061	11.3
69.93614	6.6
70.06580	2.7
72.04506	8.4
72.08150	5.5
74.02439	10.9
74.06067	1.3
79.14848	1.2
81.07054	1.5
82.02939	5.1
82.06596	3.3
84.04507	12.5
84.08140	31.5
85.02917	2.2
85.06569	1.5
85.17386	1.4
86.06075	6.4
86.09703	42.0
88.07633	10.6
88.11263	1.3
96.04499	8.2
98.06097	1.7
98.09713	4.1
98.54625	1.6
99.05582	3.5
100.03976	4.8
102.09153	2.7
103.03930	1.7
110.06080	1.5
110.09660	4.1
112.11250	2.0
118.05032	6.1
122.09660	3.7
123.04458	4.0
126.05478	3.2
126.09154	9.1
127.12305	4.6
128.10712	100.0
139.03911	8.2
145.06078	3.5
145.13361	43.3
146.04478	11.3
147.04407	2.2
149.10805	6.9
150.09151	16.6
163.07179	3.7
167.11786	9.9
168.10217	2.5
209.12857	12.0
213.12375	2.4
214.10832	2.1
226.15585	2.7
227.13939	11.3
231.01598	1.3
254.58376	1.3
272.16071	13.3
273.14462	7.4
290.10837	1.6
290.17032	15.4
296.44366	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2113
Annotation	Hydroxy-gamma-sanshool
Peak:m/z	Relative Intensity
51.06153	0.8
55.05499	2.2
56.96550	1.3
57.07061	1.1
67.05492	1.7
68.99787	0.9
69.07068	1.1
70.06581	2.6
71.60010	1.1
79.05475	2.0
81.03414	3.8
81.07034	3.1
83.08646	0.9
84.04498	9.1
85.02890	2.1
87.00832	1.0
87.61319	0.7
88.07613	2.1
91.05444	2.9
91.75989	0.8
93.07031	2.2
95.04973	2.3
95.08583	2.0
96.04406	0.9
98.97575	1.2
102.09158	1.2
103.03956	1.3
105.07019	2.3
106.06554	8.0
107.04942	1.5
107.08536	0.9
109.02861	1.5
109.06554	1.2
109.10210	1.1
116.98560	2.3
117.05717	2.0
117.06989	1.3
118.06533	14.4
119.08602	1.9
120.08096	1.4
121.06501	1.1
121.10146	0.9
126.05513	2.2
130.01625	0.8
130.06538	1.4
131.07304	9.3
131.08305	1.2
132.08078	6.7
133.08844	1.1
134.09615	1.9
134.99632	2.6
135.08066	1.0
143.08490	1.0
144.08092	1.4
145.08841	1.2
145.10078	0.9
146.09637	17.5
147.07959	0.9
147.11639	0.9
153.00641	1.4
157.10086	1.0
157.21927	0.9
159.10440	1.0
160.11214	13.0
162.12820	1.0
163.11200	1.0
168.47998	0.9
172.11195	2.5
174.12787	3.8
176.37653	0.8
202.07838	1.0
202.15849	0.9
203.08612	1.1
225.04317	2.4
228.23166	5.9
231.08017	1.4
244.20641	12.9
247.07384	1.3
249.04201	1.2
255.17282	0.9
259.07520	1.7
260.08389	1.5
263.10571	0.8
272.20078	100.0
273.20471	3.1
290.08875	2.6
290.21130	97.2
290.26334	12.7
291.10022	4.9
291.16144	1.2
291.19168	2.2
291.21823	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27520	4.1
56.05033	5.1
56.96560	49.8
58.06586	4.8
60.04517	58.3
69.03412	5.2
70.06584	9.7
71.58311	6.9
72.08148	9.9
74.06063	14.0
83.06103	5.9
84.04510	10.6
84.96036	4.8
86.06092	11.7
86.09701	81.4
87.05583	20.5
94.44460	4.5
96.04468	5.5
98.06075	10.5
102.96928	5.9
113.07101	5.8
114.05495	4.9
116.98537	14.9
120.08046	5.7
123.04424	10.2
124.99100	11.7
131.07178	5.1
131.08159	93.5
132.10184	44.1
132.97914	6.9
135.04436	6.6
139.03864	5.9
139.36488	5.7
143.00162	43.1
145.02841	5.5
159.07637	58.9
161.01202	100.0
163.03940	27.7
170.99692	9.2
178.98474	8.7
179.02252	15.6
185.01202	12.4
187.02802	5.2
189.00720	20.9
202.98438	24.4
203.02260	14.2
203.13893	7.7
207.01813	9.0
213.00771	5.7
219.13338	9.5
220.99498	5.5
221.27040	4.7
231.01738	7.2
249.02788	55.5
260.04404	11.6
267.00134	15.6
267.03857	99.6
272.04346	16.2
285.01328	13.9
285.04901	53.5
290.05389	29.1
290.13055	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	290.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01861	0.6
55.05511	1.0
56.05040	2.7
57.03448	2.4
59.53375	0.5
60.04524	2.1
61.02924	3.9
68.99778	4.0
69.03426	2.2
70.06597	1.6
71.04993	0.6
72.04510	0.8
73.02906	1.9
75.04483	0.6
80.05007	0.6
81.03415	2.9
84.04501	100.0
85.02900	15.3
85.04840	0.8
87.00823	7.0
96.04478	2.1
97.02890	3.1
98.06045	4.3
99.04419	1.0
100.03963	0.7
100.77077	0.4
103.03941	15.9
105.01843	2.7
108.04478	2.3
109.02892	4.6
110.06048	0.9
115.03909	0.6
124.03949	0.5
126.05513	25.9
127.03912	2.9
129.01836	6.2
144.06580	1.4
147.02893	4.0
150.05458	0.7
156.06560	1.1
168.06572	8.0
171.02940	1.4
186.07584	3.4
189.03940	6.6
204.08635	3.3
212.05573	0.5
213.04037	0.5
228.08719	1.3
254.06708	0.6
272.07629	3.8
290.08707	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	290.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
54.44857	0.6
55.05500	1.3
56.05036	3.1
56.96569	0.7
57.03426	2.6
60.04524	1.3
61.02930	4.6
68.89678	0.6
68.99786	3.4
69.03428	1.8
69.68226	3.0
70.06582	1.6
73.02917	2.4
74.77217	0.5
75.04469	0.7
79.05498	0.7
79.33672	0.6
81.03412	5.4
81.07029	1.1
84.04504	100.0
85.02905	17.3
85.04848	0.6
87.00825	6.0
87.01284	0.8
92.05807	0.7
93.98096	0.6
95.08633	0.8
96.04484	2.3
97.02885	3.2
98.06073	4.6
98.97567	0.6
99.04477	1.2
103.03938	16.5
105.01876	3.7
105.07044	0.6
107.08612	1.0
108.04493	2.7
109.02879	3.5
109.10061	0.6
110.06052	1.2
116.78400	0.5
120.01966	1.0
126.05515	24.6
127.03916	3.2
129.01834	6.3
137.06007	0.6
144.06523	0.9
145.04953	0.8
147.02859	4.0
150.05498	0.7
156.06592	1.2
168.06557	9.0
169.04956	1.0
171.02942	2.0
176.04828	0.7
186.07616	2.8
188.01152	0.7
189.03958	5.3
204.08684	3.1
212.05609	1.2
228.08783	1.4
267.09061	0.7
272.07660	3.9
290.05655	0.6
290.08673	13.8
290.17749	0.9
290.26471	0.7
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	Pipataline
Peak:m/z	Relative Intensity
51.34930	3.4
51.74788	2.7
55.05511	15.7
59.05029	3.0
67.05493	21.1
69.07061	12.9
71.60383	6.3
79.05498	17.3
81.07047	30.5
83.08615	9.5
91.05479	47.7
93.07069	15.3
95.08597	19.2
96.37266	3.4
96.56923	2.6
97.06560	3.8
97.10157	4.3
102.29316	2.9
103.05442	3.0
105.07028	57.5
107.08582	11.0
109.10159	4.8
113.27583	2.9
117.07024	10.1
119.08582	47.3
121.10146	8.7
127.03977	3.7
131.08536	22.6
133.10132	40.6
134.99641	3.1
135.11725	4.9
145.10126	20.5
147.11690	27.9
157.10153	11.0
159.11626	16.0
161.13283	12.8
169.10060	3.5
171.11720	5.9
173.13293	10.0
183.11761	5.2
197.13165	3.2
212.09300	2.8
213.16440	3.5
215.17947	4.2
239.17984	6.4
243.09889	4.5
248.94702	3.1
257.19058	15.3
289.18381	3.9
289.21613	100.0
290.08069	7.5
290.21884	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	289.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.3
55.01867	7.4
55.05505	16.2
56.96556	10.0
61.02914	6.7
63.12976	4.4
63.96510	4.2
66.69838	3.9
67.05493	21.5
69.03426	9.3
69.07085	22.2
70.06596	6.9
71.04979	17.3
79.05494	32.8
81.03402	9.3
81.07055	68.0
83.01419	4.4
83.04960	21.9
83.08603	8.6
83.47340	4.1
84.04491	29.2
84.08141	7.5
85.02901	11.8
85.06541	9.4
86.09698	5.6
87.04454	4.3
91.05482	26.6
93.07037	86.4
95.04989	22.7
95.08598	66.3
96.08882	6.6
97.02899	5.2
97.06535	37.7
98.97585	24.5
99.04466	24.6
103.03949	4.2
105.07027	44.7
107.04936	16.1
107.08588	45.6
109.02903	6.3
109.06512	29.2
109.10152	9.5
111.08076	26.2
113.05984	5.9
116.98609	13.3
117.07037	4.0
119.01891	6.5
119.04930	4.9
119.08585	27.1
121.06510	100.0
121.10128	15.4
122.10470	4.6
123.04447	10.6
123.08076	6.8
123.11713	20.5
125.06013	18.5
125.39424	4.4
126.05482	5.9
127.03899	9.2
127.07540	7.9
129.06996	6.2
130.05035	5.5
131.08580	10.6
133.06465	8.8
133.10143	26.8
134.99641	8.9
135.04420	7.9
135.08072	13.1
135.11688	7.6
137.05960	6.9
139.07558	25.1
142.07845	4.5
143.07053	13.7
143.08565	9.8
145.06506	7.6
145.10118	10.8
147.08063	9.9
147.11685	59.4
149.13275	6.0
151.07544	6.3
151.11238	8.7
153.01813	9.6
157.08604	14.1
157.10115	17.5
158.99603	9.2
159.06497	13.7
161.05954	4.6
161.09477	4.7
161.13306	12.5
165.12802	24.3
168.06535	5.1
169.12277	17.0
171.11647	20.2
173.09647	9.1
175.11168	39.0
177.00702	14.4
181.10063	4.9
189.12712	24.9
193.12221	41.4
198.59137	4.6
199.11203	30.3
207.09698	7.3
207.13773	16.2
207.59821	16.1
211.13255	35.1
217.12247	95.7
219.01831	8.6
229.14407	14.9
235.13272	98.7
237.02878	4.7
243.06584	6.7
253.14307	45.6
288.62308	4.5
289.11630	8.7
289.14847	4.5
289.18195	7.1
290.08725	6.4
303.81064	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80483	1.9
53.82617	1.7
55.05509	9.5
57.07074	100.0
59.04982	1.7
61.90974	2.0
67.05502	10.1
69.07055	7.2
71.60231	3.0
72.04514	21.8
72.98559	1.8
79.05486	7.9
81.07055	13.7
83.08601	3.9
85.06530	3.1
86.69668	1.8
88.02187	2.2
91.05476	24.1
93.07039	11.6
95.08622	10.0
100.07614	53.8
105.07035	31.8
107.08575	8.4
109.10180	4.2
117.07007	6.2
119.08565	19.6
120.31178	1.9
121.10173	4.4
131.08546	10.0
133.03427	2.7
133.10132	19.1
135.11728	3.1
137.09637	1.9
143.08490	2.7
144.08020	2.8
145.08391	4.6
145.10086	13.7
147.08026	2.6
147.11694	17.9
154.45685	1.8
156.13837	66.2
157.10146	4.8
158.13864	2.0
159.11696	7.6
161.13272	2.3
171.11656	4.2
173.13229	3.6
183.11760	2.3
185.13181	2.0
197.13278	2.1
239.17941	4.5
257.17209	8.6
257.19144	7.4
284.75601	1.7
289.21997	35.8
289.29248	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76022	4.2
53.03952	5.8
55.05507	30.6
56.96552	8.9
57.03420	8.3
57.07066	9.3
67.05500	34.9
69.07069	35.5
71.04983	10.7
71.48493	9.2
74.60278	4.6
75.45742	3.7
76.51971	3.8
79.05474	36.4
79.07648	4.7
81.07053	100.0
83.04988	7.2
83.08604	20.1
84.04504	43.6
85.02882	5.8
85.06538	18.8
91.05462	27.8
93.07044	50.4
95.08598	98.6
97.06533	19.7
97.10152	8.7
99.08113	5.2
105.07016	45.8
107.08576	43.3
109.06515	9.7
109.10151	40.9
111.08090	9.3
113.09689	5.1
117.07006	5.6
119.01910	12.0
119.08571	45.9
121.10150	34.6
123.08075	6.6
123.11709	19.6
125.09658	6.6
126.05524	6.2
127.03924	6.2
131.08575	12.5
133.10123	28.5
135.08035	6.7
135.11636	24.1
137.06029	5.0
137.09677	5.8
137.13243	8.7
145.10103	12.5
147.08061	4.1
147.11694	16.8
149.13275	27.0
151.11240	5.0
151.14914	4.6
159.11691	9.1
161.02956	5.0
161.13264	50.5
163.14839	13.5
173.13268	17.0
175.14856	11.8
176.14377	5.0
177.16425	6.3
179.14281	27.2
183.11658	4.6
187.00923	4.9
187.14885	7.2
189.16121	4.5
197.15396	6.5
203.17952	7.1
205.02017	4.5
217.19490	4.5
271.19067	46.5
271.24115	28.2
289.10770	6.2
289.15173	6.9
289.18054	11.2
289.21945	6.3
289.25195	55.3
290.21268	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	289.216
Annotation	17beta-Hydroxy-2alpha-methylestr-4-en-3-one
Peak:m/z	Relative Intensity
51.02381	0.7
53.03939	1.1
55.01858	2.1
55.05507	29.3
57.03434	0.9
57.07077	4.4
59.04992	0.9
60.25256	0.6
65.03931	0.9
67.05168	1.1
67.05501	16.0
69.03410	3.7
69.07064	14.8
69.64928	3.0
69.65356	2.2
71.04981	3.3
71.08628	2.2
73.06553	1.3
79.05486	25.4
81.07051	20.5
83.04972	2.5
83.08609	4.3
85.06528	1.6
86.09666	1.0
89.40932	0.6
91.05470	24.9
93.06463	1.5
93.07037	30.3
95.04967	6.2
95.08596	19.4
97.06509	2.1
97.10159	6.3
99.08070	1.0
103.05457	2.0
105.03461	0.9
105.04593	0.9
105.07021	43.8
107.04935	2.4
107.08583	27.9
109.06512	10.0
109.10164	5.4
111.08074	2.1
115.05495	1.0
117.07002	8.7
119.08572	33.5
121.06499	29.1
121.10128	8.7
123.08038	6.4
123.11698	1.6
125.09641	1.0
128.48253	0.7
129.06963	3.5
130.03545	0.7
130.07753	0.9
131.08554	15.0
133.06499	1.1
133.10127	14.7
135.08041	18.8
135.11673	5.6
141.07002	1.0
143.08553	3.1
145.10103	13.4
146.10915	0.9
147.08012	3.7
147.11678	10.0
149.09628	4.0
149.13264	3.5
155.08562	2.1
157.10136	2.5
159.08055	2.3
159.11699	9.6
161.09630	1.6
161.13239	11.1
163.11174	13.4
163.14799	1.6
165.12767	5.2
168.09209	0.7
169.10136	2.0
171.11696	2.2
173.09579	0.9
173.13242	5.3
175.11203	0.9
175.14783	6.4
177.12738	24.1
177.16338	1.1
179.14444	0.7
183.11719	3.4
185.13271	1.7
187.11206	1.2
187.14804	5.2
189.12755	2.5
189.16370	2.8
191.14291	5.0
197.13260	4.1
201.12744	3.5
201.16444	0.8
203.14316	1.6
205.12297	0.7
205.15903	3.1
211.14790	2.1
215.14368	2.7
219.13916	1.6
229.15929	0.9
229.19499	0.8
233.15327	4.0
233.22641	3.1
243.20992	3.4
247.17007	1.9
253.19511	3.3
257.19058	1.2
261.22131	29.3
262.22522	1.2
271.20563	7.0
289.21594	100.0
290.21945	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.2
53.03918	2.1
55.01864	5.7
55.05498	8.6
57.03430	3.1
57.07082	3.0
66.22057	2.2
67.05510	13.5
69.03420	5.4
69.07056	17.8
70.06574	2.7
70.08215	9.0
70.08620	4.7
71.04995	11.7
79.05494	24.9
81.03400	3.5
81.07050	48.9
83.04977	21.9
83.08624	6.4
83.25698	3.0
84.04500	13.9
85.02909	7.0
85.06534	9.2
87.48753	2.7
91.05470	19.9
93.06474	3.1
93.07037	63.1
95.04957	17.6
95.08609	45.4
97.06519	31.8
99.04462	24.2
101.06018	2.1
103.03901	4.1
105.07026	41.2
107.04955	6.3
107.08582	27.3
109.06507	28.8
109.10131	8.3
111.08073	25.8
113.06015	5.3
119.08581	26.0
121.05648	4.5
121.06505	85.2
121.10133	6.0
123.04453	5.7
123.08056	8.0
123.11657	11.9
125.06004	14.2
125.21993	2.4
126.05512	3.1
127.03917	2.7
127.07549	9.9
129.06964	5.3
131.08556	5.7
133.06531	4.2
133.10118	21.5
135.04424	5.5
135.08078	14.1
135.11588	2.6
137.05966	5.1
139.07526	26.2
142.07788	3.8
143.07065	12.5
143.08519	8.2
145.10110	6.6
147.07999	2.9
147.11684	53.1
149.09607	3.2
149.13219	5.0
151.11151	8.9
153.01781	15.1
156.09341	3.1
157.08580	11.3
157.10104	16.4
159.06529	12.7
161.09734	3.0
161.13269	8.9
163.03946	6.0
163.14807	3.2
165.12738	21.4
169.12227	23.1
170.60667	2.2
171.02870	3.8
171.11673	16.1
175.11177	34.1
181.10135	4.8
184.08817	3.5
189.12744	29.2
193.12238	37.5
199.11179	30.8
207.13799	17.2
211.13245	40.2
217.12234	100.0
218.12622	2.9
229.14336	12.6
235.13281	90.5
253.14354	49.4
262.66302	2.7
271.14630	3.1
289.03455	4.1
289.06876	10.9
289.15378	8.2
289.18298	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	289.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
56.96556	5.0
57.03426	1.4
58.99873	1.1
60.05635	1.6
61.02926	2.6
69.03445	6.4
70.06573	5.1
71.01361	1.7
71.04987	2.2
71.58083	2.2
73.02898	4.0
77.00882	2.2
81.03419	5.5
84.08110	3.6
85.02905	7.5
97.02871	4.6
98.97585	2.7
99.04431	3.7
101.00886	11.3
103.02421	1.7
109.02863	3.9
113.01710	1.6
115.02419	12.2
116.07077	1.5
116.98619	3.6
119.01915	100.0
120.02006	3.2
121.01549	1.2
127.03912	20.2
127.08694	2.4
129.03978	2.2
129.10242	1.4
131.01920	7.8
133.03461	30.3
134.99632	1.6
135.05049	2.5
136.77673	1.2
137.02948	40.1
142.03477	1.5
143.01888	12.5
144.99829	2.7
145.03447	4.8
146.99579	3.4
147.01375	2.0
147.05051	7.6
149.02928	2.9
151.04494	5.1
155.01842	1.2
157.03482	2.8
157.04701	2.9
158.99504	1.2
159.01376	2.3
161.02943	58.7
161.06546	2.8
163.00879	2.3
163.04491	1.1
165.00601	1.3
168.99756	6.3
171.01398	5.9
173.02940	7.1
174.10791	1.2
174.99211	1.1
175.00848	2.1
175.04439	2.8
175.11847	1.8
177.02504	1.7
179.02480	1.0
179.04012	5.9
184.04485	2.1
185.02899	1.8
186.04713	1.6
187.00877	23.9
189.00755	2.2
189.02402	16.6
191.03999	10.7
196.99193	1.5
197.02966	1.3
199.00975	7.9
201.02481	2.0
203.03938	2.3
205.01970	7.5
207.03474	5.2
208.99530	1.6
215.00336	24.7
215.02223	2.3
217.01921	21.0
219.03456	4.9
220.40562	1.2
221.04965	1.7
225.02802	1.5
229.02065	4.3
229.05339	1.7
231.03540	3.0
233.01405	4.5
247.02986	22.0
257.05075	2.4
265.04092	8.1
289.04141	4.1
289.06076	1.7
289.08878	7.4
289.15939	3.1
289.20779	1.7
298.43893	1.2
307.05014	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	288.1915
Annotation	Leu-Val-Gly
Peak:m/z	Relative Intensity
50.90272	0.5
50.90542	0.6
55.05510	11.2
56.05026	0.9
56.96568	1.0
57.05804	1.1
59.40909	0.6
62.06093	0.7
65.05638	0.5
66.43026	0.6
67.05489	1.2
69.03426	0.9
69.07069	0.6
70.06588	2.6
71.32288	1.2
72.08151	100.0
72.93813	0.8
73.06821	0.7
74.02445	1.7
79.05474	0.9
81.07053	1.0
82.02940	1.2
84.04493	1.3
84.08132	3.9
86.09701	41.4
91.05469	0.9
97.02921	0.7
99.05581	1.3
106.06525	0.7
107.04953	0.8
108.08104	1.5
111.04485	0.7
116.98648	0.8
118.04971	0.9
118.08647	1.6
120.08137	1.9
124.07624	1.2
125.10765	4.3
126.09173	2.5
129.10231	19.6
132.10193	15.2
135.04401	0.6
136.07597	3.3
143.11794	19.0
145.06064	0.8
146.04520	2.0
148.07652	0.7
149.02455	0.7
153.01830	1.0
157.09715	14.5
157.10931	1.1
157.13358	2.0
158.97429	1.3
163.03951	0.8
164.07109	1.1
171.11304	4.0
176.98444	1.6
181.99028	1.1
189.12329	13.9
189.13945	1.0
200.98486	2.2
206.13052	0.9
215.06947	0.8
223.74959	0.7
223.99821	0.6
243.15033	1.9
243.17227	0.7
253.11870	0.6
264.99997	0.7
270.13806	0.6
270.17355	0.7
271.14465	1.8
283.01068	0.9
288.06021	2.1
288.15564	1.7
288.19852	0.8
289.15491	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03447	5.1
55.01868	4.1
55.05512	17.3
56.05026	5.9
56.96556	4.1
58.06595	9.9
60.05640	10.2
67.05499	8.5
68.05012	6.8
69.03423	14.0
69.07084	6.2
69.15965	4.0
69.99316	15.0
70.06590	57.9
72.04514	11.5
72.08153	17.7
73.02914	6.0
74.02440	48.4
79.05480	6.0
80.05027	6.5
81.03426	6.1
81.07048	23.3
82.02937	33.2
82.06568	13.4
83.04967	16.2
83.06106	8.4
83.08610	8.8
84.04507	13.6
84.08140	96.2
84.08919	3.8
86.09707	23.2
88.03984	6.0
93.05796	4.4
94.06535	6.1
96.04490	9.4
96.08132	5.4
97.06520	4.6
98.06026	12.6
98.09687	16.3
99.05577	30.9
100.03979	15.1
100.07624	3.5
108.08105	37.4
109.06533	8.6
110.07198	6.0
111.05550	4.2
112.08673	4.5
114.09164	5.2
116.07150	5.0
118.04988	16.0
120.08051	3.8
123.09159	6.8
124.07558	7.8
125.07154	3.4
125.10749	100.0
125.11623	6.7
126.05491	3.9
126.09154	93.0
129.10214	4.0
130.04961	5.0
135.09203	7.9
143.11795	78.6
145.06039	29.5
146.04475	42.2
148.07501	4.6
153.10353	3.9
156.08794	7.6
158.09274	3.5
161.10765	9.9
163.07155	17.3
171.07698	3.7
175.11914	17.1
178.13474	3.6
179.11778	4.8
188.05367	3.6
189.10226	12.9
206.12856	30.6
207.11305	20.9
211.10677	7.3
214.07051	4.9
224.13950	33.1
225.12386	5.3
252.13484	10.2
253.11810	30.9
256.08145	6.9
270.09473	4.1
270.14481	50.7
271.12897	23.6
271.17648	8.0
288.13123	3.7
288.15579	82.0
288.20291	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	287.2368
Annotation	9-cis-Retinol
Peak:m/z	Relative Intensity
53.03939	3.9
53.11841	1.7
55.01869	2.4
55.05302	1.6
55.05508	17.5
56.96550	5.3
57.07076	9.6
60.83871	1.3
65.03930	2.7
66.80083	1.4
67.05166	2.2
67.05502	34.5
67.33902	1.5
68.24075	1.5
68.99782	1.8
69.03416	2.6
69.07067	49.2
69.46447	5.5
69.46886	7.7
71.04990	2.5
71.08614	1.6
79.05491	19.5
81.07057	65.3
83.04980	2.0
83.08624	7.7
85.06538	2.0
91.05482	19.5
93.06467	2.2
93.07042	34.8
95.04950	3.2
95.08609	59.5
97.06522	2.6
97.10151	5.9
98.20753	2.6
98.97598	2.5
99.48718	1.5
105.07026	44.2
107.04961	8.5
107.08591	45.2
107.80602	1.5
109.06496	7.2
109.10158	52.6
111.08073	1.9
115.05463	2.6
116.98611	3.4
117.07019	9.0
119.08574	46.6
121.02776	2.1
121.06507	40.7
121.10151	21.4
123.08091	4.0
123.10924	2.2
123.11703	21.2
125.07900	1.6
125.09641	2.0
128.98608	1.5
129.07004	3.3
131.08572	11.9
133.06461	1.9
133.10130	21.8
134.99597	2.4
135.04362	1.8
135.08055	70.6
135.11679	17.4
137.05933	2.0
137.09612	3.2
137.13231	10.6
142.07706	2.3
143.08580	9.8
144.09299	2.0
145.10129	21.8
147.08009	3.2
147.11684	18.6
149.09596	6.4
149.13228	11.9
151.11160	2.2
153.01820	3.4
157.10120	18.8
159.11688	26.4
160.08730	3.4
161.09607	15.8
161.13274	15.2
163.04045	1.5
163.11198	3.3
163.14824	3.9
165.12718	1.7
171.11674	11.3
173.13272	10.8
175.11192	31.0
175.14790	10.8
177.12775	3.2
177.16393	3.7
185.13214	7.1
187.14804	5.4
189.12708	3.0
189.16380	6.7
190.95340	2.9
199.14771	8.5
201.16383	7.4
203.14301	6.1
203.17967	7.4
213.16402	21.0
215.17952	10.6
217.15874	13.5
219.17444	1.9
227.06984	2.4
227.17915	3.9
229.19514	6.1
231.17430	10.0
259.24158	3.6
269.22620	31.6
270.23032	1.8
287.05496	31.5
287.08551	2.4
287.23666	100.0
288.05798	3.7
288.24072	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27343	5.2
55.05502	7.7
55.75469	6.8
56.05009	7.0
56.96564	47.4
61.38225	5.5
65.05385	5.1
69.03415	6.4
70.06573	29.6
70.09768	28.2
71.06918	7.1
71.64160	6.0
72.08124	8.4
74.02427	8.6
78.36355	6.0
82.02910	7.5
82.06566	13.5
84.08138	19.1
89.03909	17.6
96.04504	8.0
97.99203	8.8
99.05606	6.8
109.99144	7.2
110.07147	26.7
111.07472	11.0
112.65059	6.5
113.98634	8.7
114.14805	6.7
117.03367	8.2
118.65162	6.2
125.10784	7.7
128.00226	21.4
131.99718	7.5
133.01663	5.9
135.04361	14.1
140.00157	10.8
142.01775	18.0
143.00130	12.6
143.11853	16.5
145.02855	8.5
145.06163	6.4
146.01274	37.0
147.59259	5.9
157.08107	7.1
158.01260	27.4
160.02840	34.6
161.01210	12.7
163.03888	77.8
164.12636	12.8
176.02287	7.3
178.03877	8.2
184.00082	15.2
214.07484	46.8
224.13861	10.7
232.08531	100.0
232.55815	6.3
249.02667	6.7
261.87503	6.4
267.03979	11.6
269.08932	16.9
270.14429	9.9
287.05472	24.5
287.09656	62.6
287.14456	6.2
287.17831	18.3
291.03839	8.5
305.10138	53.2
309.04971	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	287.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66275	7.7
58.63349	7.2
62.98245	9.4
65.27823	7.2
69.92859	29.4
69.93269	19.6
70.03398	6.7
70.06570	15.1
78.66516	7.8
83.51237	7.5
85.02927	9.4
89.12967	7.8
110.07181	27.1
131.58202	9.4
138.00273	7.8
147.63174	8.2
150.50754	7.7
161.02837	7.7
174.02422	16.1
184.00015	20.7
185.16747	8.6
198.47247	7.8
220.04514	8.7
251.64377	8.0
269.08914	32.7
287.10477	100.0
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	3'-Deoxysappanone B
Peak:m/z	Relative Intensity
50.19826	0.1
51.02379	0.1
53.03948	0.6
55.01872	0.2
55.05502	0.1
56.96569	0.1
57.07095	0.1
63.00798	0.1
65.03940	0.1
66.63787	0.1
67.01857	0.2
67.05500	0.3
68.99782	0.1
69.07085	0.2
70.93089	0.1
70.93449	0.2
71.04988	0.1
77.03930	0.2
79.05486	1.3
81.03415	0.2
81.07046	0.5
83.08659	0.1
85.02898	0.1
86.09692	0.2
91.05487	0.2
93.07052	0.4
95.04963	1.5
95.08612	0.4
96.37691	0.1
97.06517	0.1
98.97581	0.1
105.04523	0.2
105.07029	0.4
107.04956	100.0
108.04669	0.1
108.05276	0.6
109.10161	0.3
110.03673	0.1
116.98594	0.2
119.08602	0.5
121.02863	0.2
121.10130	0.2
123.11697	0.1
125.05997	1.3
131.08592	0.2
133.10109	0.2
134.99673	0.1
135.04442	0.5
135.05385	0.1
135.11707	0.1
136.07565	0.3
137.05992	0.2
141.09416	0.1
143.08542	0.1
145.06493	0.1
145.10089	0.3
149.13319	0.2
153.01846	0.3
153.05473	1.4
154.08012	0.1
155.17770	0.1
157.10098	0.1
159.11685	0.2
161.01236	0.1
163.03914	1.5
164.07109	0.2
167.03442	0.6
173.13293	0.1
177.05486	0.1
181.04962	14.5
182.05238	0.1
185.04459	0.4
187.14784	0.1
199.14694	0.1
215.18221	0.1
231.06671	0.1
245.12724	0.1
259.10349	0.1
269.08118	0.1
276.93848	0.1
287.05499	2.0
287.09094	4.2
287.13800	0.3
287.16724	0.1
287.20309	0.1
287.23596	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0911
Annotation	Homobutein
Peak:m/z	Relative Intensity
53.03935	0.7
55.05502	2.0
56.96559	2.3
62.11664	0.5
65.03931	0.9
67.05502	4.3
68.99789	1.5
69.03430	1.0
69.07076	5.1
69.29910	4.6
69.30326	2.2
71.04989	1.3
71.08675	0.7
79.05481	2.6
81.03408	9.0
81.07049	7.5
83.04973	0.7
83.08629	1.9
83.70017	0.6
89.03912	5.6
91.05466	4.9
93.07031	4.6
95.04913	1.3
95.08596	6.0
97.10168	0.7
99.08101	0.7
105.07024	9.8
107.04944	2.7
107.08588	5.0
109.02857	1.3
109.06474	0.8
109.10117	4.9
111.04445	1.7
117.03365	14.8
117.06965	1.7
119.04952	0.6
119.08575	12.7
121.02852	1.1
121.06487	2.6
121.10135	4.2
123.04408	1.8
123.11694	2.8
125.06000	1.0
127.03893	1.0
129.06938	1.5
130.68808	0.6
131.08553	2.1
133.10136	3.3
134.03581	1.1
134.99666	0.7
135.04456	3.6
135.08044	3.6
135.11697	2.0
137.02324	100.0
137.13226	0.8
142.07776	0.8
143.08542	1.7
145.02829	24.7
145.10112	5.8
146.03151	0.8
147.11658	2.7
149.05959	4.7
149.13243	1.6
151.07584	0.9
153.01868	1.1
153.05457	0.9
153.06978	0.9
155.03358	4.9
157.06462	1.7
157.10130	3.6
159.11699	5.3
161.13257	3.7
162.03105	0.7
163.02586	0.9
163.03899	12.5
163.11148	0.7
169.06465	0.7
171.08145	0.8
171.11656	1.9
173.13234	2.5
175.11148	1.8
175.14795	1.0
177.05450	38.9
177.16231	0.7
181.06483	4.0
183.02705	0.6
185.05923	1.1
185.13271	2.3
186.05421	1.1
187.14897	1.0
189.16296	0.9
190.95430	2.2
191.14232	0.7
199.07487	2.2
199.14787	1.8
201.16386	3.6
208.96443	1.2
209.05930	2.0
213.05347	1.0
213.16365	3.0
215.17944	1.0
226.06093	1.1
227.06984	2.4
227.17845	1.0
229.19353	0.8
231.17386	1.3
232.96396	1.8
237.05289	0.8
241.08640	1.0
250.97610	1.2
254.05638	0.9
255.06531	6.8
264.97220	0.7
269.07990	2.5
269.19934	0.7
269.22641	5.3
271.05814	1.1
272.06677	1.3
273.07462	1.2
287.05478	13.0
287.09061	74.1
287.20059	1.9
287.23578	15.1
288.12213	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0912
Annotation	3'-Deoxysappanone B
Peak:m/z	Relative Intensity
53.03946	0.6
55.05497	0.5
56.96551	0.2
60.46382	0.2
67.05507	0.4
69.03411	0.4
69.07060	0.3
69.57520	0.9
69.57953	0.8
70.06602	0.2
79.05493	1.2
81.07061	0.6
83.08613	0.3
84.08136	0.4
85.02882	0.3
86.09705	0.6
91.05491	0.3
93.07010	0.3
95.04967	1.3
95.08635	0.3
96.52538	0.2
107.04951	100.0
108.05280	0.8
116.98559	0.3
119.08552	0.2
119.13553	0.2
125.06023	1.4
134.99756	0.2
135.04410	0.6
136.07578	0.5
137.02390	0.2
140.20737	0.2
145.10107	0.3
153.01848	0.4
153.05513	1.1
162.97354	0.2
163.03893	1.6
164.07062	0.4
167.03383	0.9
181.04955	13.4
185.04506	0.4
196.06546	0.2
200.53178	0.2
213.05446	0.2
225.91530	0.2
258.18689	0.2
269.04514	0.3
287.02341	0.2
287.05518	4.1
287.09134	4.4
287.13916	0.5
297.04648	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0912
Annotation	3'-Deoxysappanone B
Peak:m/z	Relative Intensity
50.29661	0.1
51.02367	0.2
53.03936	0.7
54.47932	0.2
55.01871	0.3
55.05499	0.3
56.96563	0.4
57.03407	0.1
67.01855	0.2
67.05492	0.5
69.03430	0.2
69.58806	1.1
70.06590	0.3
77.03916	0.2
78.04733	0.2
79.05489	1.2
80.20192	0.1
81.03385	0.3
81.07052	0.4
83.04953	0.2
83.08611	0.3
84.51920	0.1
86.09689	0.2
91.05507	0.8
93.03417	0.2
95.04982	1.5
95.08630	0.2
98.97594	0.4
98.98509	0.1
103.81669	0.1
105.03433	0.2
105.04515	0.3
105.07037	0.2
107.04955	100.0
108.05262	0.7
112.07607	0.2
116.98586	0.3
121.02908	0.4
121.10216	0.2
125.05990	1.3
131.08545	0.2
134.99654	0.3
135.04436	0.5
136.07564	0.4
137.05983	0.3
138.12985	0.1
153.01814	0.6
153.05455	1.3
157.06458	0.2
158.99672	0.2
163.03905	1.2
164.07169	0.2
167.03383	0.7
181.04961	14.1
184.08542	0.1
185.04500	0.4
258.05222	0.2
269.04367	0.2
269.12836	0.3
270.11697	0.2
287.05560	6.6
287.09180	4.4
287.13937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Fisetin
Peak:m/z	Relative Intensity
52.48212	0.2
53.03931	0.5
55.01865	2.3
55.05259	0.2
55.05508	2.2
55.47005	0.2
56.96556	0.6
57.03430	0.5
65.03924	0.4
67.01848	0.5
67.05172	0.2
67.05502	2.8
68.99788	2.2
69.03424	1.1
69.07061	0.9
69.27128	1.2
69.27554	0.7
71.01345	0.2
71.04994	2.8
72.13053	0.2
79.05489	2.3
80.03732	0.2
81.03410	0.8
81.07050	2.8
83.04971	0.4
83.08606	1.3
83.09425	0.2
85.02902	0.5
85.06542	0.6
87.04449	0.8
89.03951	0.4
91.05470	1.1
93.07040	1.7
95.04955	0.8
95.08597	1.3
97.02884	0.2
97.06525	13.8
97.10177	1.3
98.97588	0.4
99.08102	0.2
105.03372	1.3
105.07021	1.3
107.04948	7.6
107.08595	1.4
109.02861	0.8
109.06509	0.3
109.10154	2.2
111.00816	1.0
111.04432	0.7
111.08064	0.2
115.05510	0.3
116.98631	0.3
117.07007	0.7
119.04962	0.3
119.08581	0.8
121.01977	0.4
121.02855	6.2
121.06471	0.4
121.10155	0.6
123.04425	0.2
123.11716	0.3
124.03941	0.3
124.07594	0.2
125.04292	0.2
125.09626	0.9
127.03901	0.3
128.06197	0.2
128.98608	0.2
129.06985	0.7
131.08546	0.8
133.02853	0.9
133.10170	0.9
134.99619	0.5
135.04382	1.0
135.08049	0.6
135.11708	0.6
136.07497	0.4
137.02327	2.2
137.05968	0.2
141.06963	0.4
143.08533	0.2
145.06494	0.7
145.10095	0.5
147.04398	1.5
147.11685	0.3
149.02344	0.8
149.13217	0.7
153.01817	12.7
154.02139	0.3
154.59058	0.2
157.06482	1.5
157.10158	0.3
159.11676	0.6
161.02316	0.7
161.06001	0.7
161.13307	0.3
164.07037	0.3
165.01834	2.9
169.06673	0.2
169.10106	0.2
171.02936	0.3
171.04420	0.8
173.13248	0.2
175.03926	0.4
177.00720	0.3
177.12686	0.5
181.04962	0.7
181.06458	0.3
183.02853	1.3
184.05206	0.3
185.05995	1.5
189.05545	0.3
189.11221	0.2
191.03433	0.3
195.13789	5.4
197.05939	0.6
201.16284	0.3
203.07060	0.6
212.04556	0.2
213.05441	3.3
213.14772	2.1
216.04089	0.4
217.05009	0.2
219.01697	0.3
226.06151	0.2
227.06981	0.8
229.04874	0.4
231.06516	2.1
237.02705	0.2
241.04924	2.9
242.05487	0.3
243.06467	0.3
244.03644	0.2
258.05215	1.7
259.06094	1.0
269.04562	1.1
269.17389	1.6
269.22418	0.4
287.05475	100.0
287.18359	3.6
287.23627	0.5
288.05789	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.1
53.03941	0.4
53.08123	0.1
55.01865	0.4
55.05500	0.5
56.43482	0.1
56.96568	0.5
63.99911	0.1
65.03938	0.5
67.01855	0.5
67.05495	0.7
68.99787	2.4
69.00166	0.2
69.03427	0.4
69.07053	0.3
70.06567	0.2
70.72445	0.2
70.72794	0.2
71.04996	0.3
72.95987	0.1
79.05491	1.2
81.03414	0.5
81.07053	1.0
83.04984	0.2
83.08643	0.1
85.02913	0.3
86.09698	0.2
91.05476	0.7
93.07032	0.6
94.91602	0.1
95.04947	0.8
95.08588	0.6
97.02865	0.7
97.06525	0.9
97.10114	0.2
98.97533	0.2
98.98473	0.1
102.96948	0.1
103.05443	0.3
105.03387	1.0
105.04505	0.1
105.07025	0.7
107.04948	13.9
107.08589	0.4
109.02872	1.0
109.10149	0.6
111.00804	1.6
111.04438	0.6
112.92638	0.1
115.05440	0.2
116.98613	0.4
117.07003	0.4
119.04948	0.3
119.08588	0.7
121.02860	7.5
121.03828	0.3
121.06463	0.2
121.10134	0.4
123.04388	0.1
123.11716	0.2
125.06019	0.2
125.09624	0.1
127.03905	0.5
128.06253	0.2
128.10690	0.4
128.98639	0.1
129.07001	0.7
131.08542	0.3
133.02837	1.1
133.10123	0.2
134.99635	0.3
135.04399	0.6
135.08025	0.2
135.11728	0.1
136.07579	0.3
137.02345	2.2
137.05960	0.2
138.09087	0.1
141.06989	0.4
145.02806	0.2
145.06525	0.7
145.10101	0.5
146.99696	0.2
147.04388	1.6
147.11700	0.3
149.09677	0.2
149.13260	0.2
152.06111	0.2
153.01820	11.2
154.02097	0.1
155.05986	0.1
157.06470	1.6
157.10133	0.2
159.07898	0.1
159.11679	0.2
160.05174	0.1
160.97235	0.1
161.01180	0.3
161.02362	0.2
161.05989	0.5
163.03905	0.4
164.07025	0.2
165.00529	0.2
165.01836	3.5
167.04895	0.1
169.06422	0.2
171.02979	0.2
171.04410	0.7
173.05989	0.1
175.03984	0.3
175.07574	0.1
177.00670	0.2
177.05400	0.1
177.12686	0.1
181.04959	1.7
183.02895	1.8
184.05176	0.2
185.05962	1.0
188.04649	0.1
189.05493	0.5
191.03438	0.1
195.13817	0.2
196.97704	0.1
197.05965	0.5
199.03934	0.2
199.14841	0.1
200.10727	0.2
201.05498	0.2
202.11086	0.2
203.03531	0.2
203.07069	0.4
212.04697	0.2
213.05449	3.3
213.08745	0.1
213.16490	0.1
215.07141	0.1
216.04259	0.1
217.05034	0.2
219.01733	0.1
226.06250	0.1
227.06798	0.7
229.05031	0.7
231.06485	1.5
241.04941	1.9
242.05577	0.1
243.06476	0.2
245.04437	0.2
245.12785	0.5
257.04367	0.2
258.05203	2.5
259.05957	1.0
259.14264	0.1
263.05505	0.1
269.04416	0.4
269.22421	0.2
287.05475	100.0
287.23538	0.6
288.05820	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Luteolin
Peak:m/z	Relative Intensity
52.09940	0.1
53.03942	0.2
55.01868	0.2
57.57956	0.1
65.03925	0.3
67.01842	0.5
67.05482	0.1
68.99426	0.2
68.99780	2.4
69.03410	0.3
70.16145	0.1
71.01355	0.2
79.05486	0.7
81.03402	0.4
81.07037	0.2
91.05483	0.3
95.04974	0.5
97.02880	0.2
97.06512	0.1
98.97556	0.3
103.05428	0.2
105.03381	0.9
105.07036	0.2
107.04945	1.2
107.08582	0.2
109.02848	0.9
111.00795	1.5
111.04425	0.7
115.05428	0.2
116.98634	0.2
117.07025	0.1
119.04921	0.3
121.02855	7.1
121.03841	0.3
127.03918	0.3
128.06252	0.2
129.07013	0.5
132.48679	0.1
133.02849	1.1
133.10135	0.1
134.99588	0.1
135.04401	0.4
136.07607	0.1
137.01337	0.2
137.02322	2.1
139.05362	0.1
141.06978	0.4
143.04945	0.1
145.06499	0.7
147.04388	1.4
150.03081	0.1
151.03915	0.2
151.45673	0.1
153.01811	11.6
157.06473	1.4
161.05946	0.5
165.01817	3.6
166.02492	0.1
167.04897	0.1
169.06522	0.2
170.04865	0.1
171.02924	0.2
171.04388	0.7
175.03841	0.2
175.07568	0.2
177.00665	0.2
183.02859	1.7
184.05220	0.1
185.05946	1.2
189.05466	0.3
197.05925	0.3
199.03888	0.2
201.05486	0.2
203.03352	0.1
203.07018	0.4
212.04549	0.1
213.05446	3.4
214.05698	0.1
216.04240	0.2
225.05244	0.1
229.04926	0.4
231.06511	1.3
237.02821	0.2
241.04907	1.5
243.06503	0.2
245.04239	0.1
258.05228	2.6
259.05927	0.9
263.05542	0.1
269.04520	0.3
287.05460	100.0
288.05780	2.8
300.11865	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	287.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
60.87066	0.2
65.03925	0.5
67.01863	0.4
67.05488	0.3
68.07408	0.2
68.99783	2.1
69.03426	0.3
69.31488	1.6
79.05478	0.8
81.03409	0.2
81.07053	0.4
91.05478	0.4
93.07037	0.5
95.04965	0.4
95.08590	0.4
97.02934	0.2
98.21445	0.4
103.05448	0.2
105.03416	0.9
105.04461	0.2
105.07012	0.5
107.04952	1.6
107.08582	0.4
108.88300	0.2
109.02860	0.7
109.10144	0.5
111.00792	1.6
111.04446	0.5
112.34377	0.2
115.05380	0.2
116.61896	0.2
117.07026	0.3
119.04947	0.3
119.08584	0.3
121.02864	7.2
125.08836	0.2
127.03845	0.2
128.06265	0.2
129.06989	0.4
133.02802	0.9
135.04431	0.4
135.11679	0.2
137.02336	2.6
141.06976	0.2
145.06477	0.8
147.04381	1.2
147.11653	0.2
148.26523	0.2
149.13187	0.2
153.01822	11.2
157.06483	1.7
159.11655	0.3
161.05971	0.7
163.03941	0.3
165.00552	0.2
165.01849	3.3
169.06517	0.3
171.04413	1.0
175.07550	0.2
183.02901	1.4
185.05943	1.1
189.05452	0.4
199.03902	0.4
203.07050	0.3
211.99646	0.2
212.04651	0.2
213.05431	2.7
217.05009	0.2
227.12056	0.2
229.04977	0.6
231.06567	1.2
240.68538	0.2
241.04929	1.7
257.04514	0.2
258.05200	2.6
259.06070	0.6
269.04379	0.5
287.05478	100.0
287.23602	0.5
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	287.055
Annotation	Cyanidin
Peak:m/z	Relative Intensity
53.03943	0.7
53.58498	0.3
54.01757	0.3
55.01859	0.4
55.05495	0.9
56.96572	1.7
57.03431	0.8
61.02935	0.4
65.03923	0.4
65.87190	0.3
67.01849	0.5
67.05498	1.7
68.99781	2.4
69.03417	1.8
69.07066	0.7
71.04990	0.5
71.13724	0.7
73.02905	1.1
79.05484	1.7
81.03404	1.4
81.07063	1.7
83.04984	0.5
84.04482	0.8
85.02901	1.2
85.06518	0.5
86.09678	0.6
89.52253	0.3
91.05460	1.0
93.07030	1.4
95.04958	0.8
95.08581	1.2
97.02872	0.9
97.06535	0.8
98.97568	1.2
103.05469	0.5
105.03368	0.8
105.07014	1.5
107.04951	9.1
107.05628	0.3
107.08582	0.9
108.05280	1.8
109.02880	0.9
109.10143	0.6
111.00793	1.4
111.04420	0.8
116.98608	1.2
117.07029	0.7
119.01917	0.9
119.08560	0.9
121.02865	6.0
121.06504	0.5
121.10126	0.5
124.07605	0.3
127.03898	0.4
128.07100	0.3
129.07028	1.0
131.01918	0.6
131.04945	0.5
131.08627	0.6
133.02840	0.6
133.10124	0.7
134.99712	0.5
135.04425	0.7
135.11713	0.3
136.07576	1.8
137.02304	1.9
137.05943	0.6
141.07033	0.4
143.04967	0.4
144.05344	0.3
145.06540	0.9
145.10155	0.5
146.99649	0.4
147.04410	1.0
147.11693	0.4
149.01230	0.5
153.01817	9.2
153.02988	0.7
157.06482	1.5
158.99684	0.4
159.08080	0.4
159.11626	0.5
161.01222	0.7
161.06015	0.5
163.03894	0.4
164.07037	1.1
165.01828	2.8
167.06985	0.4
171.02979	0.4
171.04353	0.8
173.02873	0.8
173.05862	0.4
173.13177	0.4
177.00720	0.9
181.04863	0.5
183.02901	1.4
185.02841	0.8
185.06023	1.3
190.02800	0.3
201.05472	0.5
203.03940	0.4
213.05489	3.0
213.09967	0.4
217.05002	0.3
219.01784	1.0
226.87671	0.4
229.04938	0.8
231.06505	1.0
237.02791	1.0
238.09384	0.4
241.04955	1.3
255.06361	0.4
258.05267	2.0
259.05960	0.8
269.04437	0.4
269.12598	0.4
270.12000	0.8
287.05496	100.0
287.23691	0.9
288.05872	2.7
291.89679	0.4
303.04950	5.0
304.05093	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2423
Annotation	Tanikolide
Peak:m/z	Relative Intensity
53.12389	1.7
53.13789	1.8
55.05502	9.6
57.03181	2.8
57.03438	30.7
57.07072	71.1
61.02902	1.6
62.53846	1.8
67.05499	15.8
69.07074	17.6
70.06587	2.0
71.04984	2.8
71.08227	2.4
71.08627	49.9
71.59756	2.3
79.65080	2.3
81.03413	4.7
81.07058	24.2
83.08611	8.2
85.10180	26.8
89.06013	5.5
91.05454	2.0
93.07020	2.7
95.08602	35.6
97.10173	7.6
107.08513	2.9
109.10151	16.0
111.11708	4.8
116.05291	3.2
119.08549	3.1
123.11696	6.4
123.22723	2.1
147.11742	2.7
152.16299	1.9
181.04950	5.8
190.96379	2.3
211.20587	6.1
228.97934	2.4
229.21671	8.1
244.46051	2.0
285.07608	5.7
285.11124	3.2
285.24246	100.0
285.29721	11.0
286.13000	8.0
286.24530	2.2
286.30994	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	286.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76770	0.6
53.03935	0.8
55.01856	1.1
55.05499	3.0
56.05016	1.0
56.29512	0.7
56.96569	0.6
57.03421	3.0
59.59224	0.6
61.02932	1.3
67.05502	1.0
68.05016	1.9
69.03415	2.1
69.22478	0.6
69.98295	0.6
70.06590	16.7
71.01331	2.0
71.04985	1.8
71.58976	1.0
72.04500	1.9
72.08148	2.0
73.02900	2.3
73.85007	0.6
74.02438	3.5
79.05486	1.3
80.05020	1.5
81.03391	2.2
81.05815	0.7
81.07038	1.2
82.02934	1.1
82.04043	2.4
82.06576	5.5
83.04980	8.1
83.06084	3.4
83.07330	0.7
84.04501	11.6
84.05605	1.5
84.08138	4.0
85.02886	2.4
85.06509	0.6
86.06062	0.9
86.09677	0.9
89.27458	0.6
93.04521	0.9
94.04018	1.0
94.06548	2.1
95.06085	2.1
96.04498	1.6
96.08128	3.5
97.02880	1.8
97.07648	18.3
98.03516	1.2
98.06050	8.3
99.04449	2.9
99.05563	5.8
100.03955	1.7
106.06564	4.3
109.05119	14.6
109.07628	1.4
110.03494	2.4
110.06005	0.8
110.07160	11.7
111.09196	1.9
112.05094	3.4
112.07598	3.2
113.05989	1.4
114.05499	1.2
115.03932	0.8
116.07063	2.7
118.04967	1.1
118.28116	0.6
119.03540	2.5
121.05096	2.6
121.07617	1.0
122.05993	1.3
123.09190	3.7
124.03960	3.9
124.07584	18.3
125.04599	2.0
125.07071	1.1
126.05383	1.3
126.07762	25.0
127.06113	4.5
128.04533	1.2
129.06564	1.8
129.10168	0.7
130.04999	4.4
133.04990	1.6
136.06184	11.9
137.04584	39.5
138.04916	0.8
138.07741	6.8
139.08659	2.5
140.07062	10.9
141.06496	0.9
141.10222	7.6
142.04947	0.7
142.08633	3.0
145.06068	10.8
146.04410	3.0
147.07634	0.9
148.06142	0.8
150.07748	1.5
150.15109	0.7
151.06163	0.7
152.05595	0.9
154.07227	100.0
155.05597	1.8
155.07581	1.2
156.07684	1.3
157.09724	10.9
158.08115	1.5
159.94383	0.8
162.07643	1.0
163.07181	1.9
163.12296	5.7
166.07303	1.5
168.08772	1.3
171.07593	0.8
176.09366	0.8
178.07263	1.1
185.09198	2.1
187.07211	0.8
190.13423	1.1
196.08275	2.8
204.08760	2.1
208.14413	1.6
209.09158	1.2
220.08305	0.7
223.10669	0.8
226.09268	1.2
226.11931	1.2
232.08202	0.8
236.13902	0.9
240.13254	0.9
240.17148	1.1
250.09407	1.6
254.14975	2.1
258.11996	1.9
268.10400	3.3
268.12952	1.5
269.11301	2.1
286.11386	22.6
286.14075	14.5
286.17691	6.6
287.11295	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.221
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
53.03926	2.9
55.05517	8.3
56.96542	2.1
57.03417	3.8
57.07064	3.3
58.68248	1.3
60.04497	1.4
63.38648	1.4
64.12142	1.5
67.05499	16.4
69.03416	3.9
69.06768	1.5
69.07059	16.4
70.94491	4.4
71.04984	4.0
79.05489	14.7
81.03400	6.6
81.07052	49.0
81.64934	1.4
83.04974	2.2
83.08595	6.9
83.09077	1.7
85.02863	2.7
85.06512	1.5
91.05469	22.0
93.07040	28.0
95.04956	7.4
95.08599	35.5
97.06517	5.3
105.07022	41.3
106.04961	1.6
107.04923	2.7
107.08585	40.0
109.06490	5.2
109.10149	24.3
111.08051	2.3
115.05421	2.4
117.07008	8.5
119.08574	59.6
121.06506	11.6
121.10137	24.4
123.08054	4.3
123.11671	10.6
128.06201	2.4
129.06976	5.1
130.07768	1.6
131.08563	14.5
133.06438	2.2
133.10129	20.3
135.08040	33.9
135.11682	15.0
137.09619	4.4
137.13240	11.3
141.07069	1.5
142.07776	4.2
143.08545	10.2
145.10120	21.7
147.08017	2.4
147.11685	19.2
149.09592	3.4
149.13263	7.4
151.11122	1.8
152.93489	1.4
155.08553	5.1
156.09370	2.4
157.10115	20.6
159.08044	3.0
159.11700	20.1
161.05931	2.1
161.09596	17.7
161.13242	14.5
163.11234	4.1
163.14833	3.2
165.07007	2.2
169.10081	10.8
171.11703	11.0
173.09586	4.7
173.13245	11.3
175.11177	21.5
175.14799	6.5
177.12718	5.0
177.16408	2.4
182.10811	2.4
183.11658	6.5
185.13229	6.4
187.11063	2.2
187.14825	5.9
189.12773	2.3
189.16388	3.5
193.12206	5.4
195.11867	1.5
195.60303	1.4
196.12424	1.9
197.13194	9.5
198.09109	6.0
199.14806	7.8
201.12718	2.8
201.16428	8.2
203.14326	1.8
203.17931	1.5
206.00874	1.4
209.13281	2.0
211.13126	2.7
211.14871	12.6
213.16431	14.9
215.11902	3.9
215.14307	3.5
215.17952	1.8
217.15749	2.5
225.09035	2.5
225.16287	7.4
227.17900	6.2
229.15846	9.3
239.17845	1.6
241.19412	2.6
243.11270	14.0
243.17458	3.9
243.20953	2.6
253.08406	3.7
257.22675	4.4
267.21057	33.2
285.07593	4.1
285.12326	10.7
285.17072	3.4
285.22083	100.0
286.22595	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2214
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
53.03942	2.5
55.01868	2.2
55.05260	1.2
55.05510	17.9
56.96554	1.5
57.03442	10.8
57.07059	4.8
65.03920	2.9
66.67880	0.9
67.05505	31.6
69.03423	4.7
69.07069	21.0
70.06981	5.4
71.04990	6.8
72.22955	0.9
79.05493	25.2
81.03419	34.8
81.07059	65.0
83.04996	7.1
83.08623	16.4
85.02903	14.9
85.06538	3.6
85.63040	1.0
91.05479	28.1
93.07044	40.6
95.04977	18.3
95.08607	47.6
97.06557	5.6
97.10152	3.8
99.08095	2.0
103.05444	1.4
105.07032	47.6
107.04947	4.6
107.08598	43.3
109.06519	9.9
109.10155	28.8
111.08082	7.9
113.06030	2.0
115.03933	1.1
115.05450	3.5
116.98588	1.4
117.07018	10.8
119.04920	1.2
119.06107	1.5
119.08585	54.2
121.06511	12.7
121.10146	28.4
123.08060	6.7
123.11100	0.9
123.11716	11.1
125.09539	1.0
128.06194	2.5
129.06992	7.0
131.08574	18.2
133.06493	2.1
133.09219	1.9
133.10129	21.7
134.99788	1.0
135.08054	33.8
135.11679	14.3
137.09607	3.4
137.13246	16.5
141.07007	2.9
142.07710	5.9
143.08565	11.9
144.09319	2.5
145.10126	26.1
147.08049	4.1
147.11693	31.3
149.09598	6.1
149.13237	8.3
151.11171	1.9
155.08594	6.1
156.09351	3.7
157.10146	22.6
158.10974	1.1
159.08066	4.6
159.11688	20.2
160.08823	1.2
161.05971	1.2
161.09627	18.1
161.13239	11.1
163.03889	2.0
163.11209	6.2
163.14856	1.6
165.07014	1.7
165.12752	4.2
167.03381	3.3
168.09322	1.5
169.10161	13.1
170.09567	1.3
170.10880	1.6
171.11703	12.3
173.09596	7.0
173.13287	11.4
175.09752	2.2
175.11188	29.4
175.14754	6.8
177.12746	3.4
177.16354	3.0
181.10149	2.2
183.11700	8.8
185.13220	7.6
186.56151	1.0
187.11147	4.8
187.12595	1.2
187.14821	6.9
189.12775	3.3
189.16394	3.0
191.05956	2.0
191.14282	1.4
193.12233	26.9
196.12439	1.9
197.13225	7.9
198.09149	4.0
198.13795	1.2
199.14850	10.6
201.12785	3.6
201.16464	7.2
203.14406	2.2
203.17909	3.1
211.13254	13.2
211.14897	12.2
213.16364	13.4
215.06006	1.5
215.11978	1.9
215.14314	5.0
215.17961	2.8
217.15742	1.3
221.06003	1.3
225.09027	2.4
225.16380	7.3
227.17934	9.6
229.08672	3.3
229.15991	8.4
233.07013	1.4
237.16518	1.5
239.07101	1.2
239.18011	1.4
240.13867	1.4
241.19518	4.0
243.11320	12.6
243.17387	2.9
243.21046	2.6
253.08574	3.2
257.22592	7.5
267.16025	2.2
267.21094	29.2
270.05200	1.3
270.08728	1.1
285.04443	1.9
285.07629	26.3
285.12354	9.8
285.17371	12.9
285.22125	100.0
286.07907	1.7
286.22543	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.8
53.23853	1.0
54.90951	1.0
55.01855	3.1
55.05286	1.2
55.05509	11.2
56.96562	2.0
57.03428	10.1
57.07062	1.6
59.04996	1.0
65.03927	1.9
67.05507	16.9
69.03417	5.4
69.07063	8.9
69.56662	3.8
69.57089	5.0
70.06576	2.5
71.04986	3.6
72.08139	1.1
79.05064	1.4
79.05490	18.6
81.03416	100.0
81.07054	25.1
83.04958	7.8
83.08613	24.1
85.02898	13.1
85.06526	2.5
85.09705	1.2
86.09697	2.9
90.50485	1.1
91.05472	22.8
91.67290	1.2
91.76540	1.0
93.07043	14.6
95.04964	29.6
95.08588	11.5
97.02905	3.0
97.06509	4.2
97.10137	3.4
98.09692	1.2
98.98501	1.5
103.05449	1.4
105.07022	29.7
107.04949	5.9
107.08601	8.1
109.06502	3.5
109.10152	7.4
111.04446	3.0
111.08071	11.3
113.06033	1.5
115.05477	1.7
116.98639	1.7
117.06987	3.9
119.04913	2.7
119.08575	32.7
121.06500	4.0
121.10131	10.4
123.08060	2.2
123.11662	3.0
124.03978	1.2
125.09617	1.8
128.06236	1.3
129.06970	9.2
130.07768	1.2
131.08543	12.0
133.06474	3.9
133.10103	8.0
135.08061	3.8
135.11664	4.3
137.09599	3.1
142.07747	8.7
143.08571	4.1
145.10117	16.0
147.08022	4.5
147.11697	12.2
149.09618	5.5
149.13234	1.3
155.08533	2.4
157.10130	24.1
159.08154	1.2
159.11696	5.9
161.09630	4.1
161.13336	1.5
165.06969	1.6
165.12785	3.8
169.10132	3.9
171.11751	2.7
173.09708	2.6
173.13264	1.3
175.11176	30.1
175.14809	1.2
183.11702	4.0
184.46928	1.2
185.13281	2.5
187.14746	1.8
193.06517	2.1
193.12242	43.4
193.15860	1.4
197.13243	2.7
199.14813	4.3
211.13203	11.8
211.14729	1.4
225.08994	3.5
228.03853	1.1
243.11302	4.9
253.08710	6.7
254.11563	1.8
263.96799	1.1
267.15921	7.3
267.21179	5.7
269.47473	1.1
285.07581	9.0
285.12167	5.5
285.17062	4.7
285.22034	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.8
53.03933	5.1
55.01855	6.8
55.05268	2.6
55.05508	34.1
57.03434	42.0
57.07054	5.1
59.04979	1.7
65.03947	2.9
67.05500	65.3
69.03426	9.3
69.06718	2.5
69.07061	32.8
69.56568	11.8
69.58619	1.4
69.60519	1.3
70.06582	3.6
71.04988	13.2
72.89758	1.7
79.05487	56.5
81.03415	87.9
81.07053	100.0
82.26569	1.4
82.99811	1.5
83.04537	2.2
83.04981	25.3
83.08617	39.3
84.04451	1.5
84.49743	1.7
85.02900	75.8
85.06544	7.9
86.09689	2.7
86.65358	1.4
87.04438	2.9
87.09998	1.7
91.05475	68.9
93.07040	55.1
95.04964	43.3
95.08602	62.6
97.02864	7.1
97.06530	11.1
97.10138	6.7
98.98476	1.7
99.08071	5.8
103.05464	3.2
105.07021	81.2
107.04967	10.0
107.08588	53.8
109.06509	20.1
109.10152	33.0
110.03033	1.4
111.04420	5.8
111.08073	21.7
113.05969	6.2
114.25357	1.4
115.05400	3.6
116.98510	2.1
117.07008	10.4
118.71981	1.4
119.04946	2.7
119.08574	79.6
121.06493	10.9
121.09308	2.8
121.10130	40.3
123.08080	9.5
123.11706	16.1
124.03913	5.2
125.09597	4.5
128.06158	4.4
129.07001	20.6
131.08548	32.0
133.06442	6.3
133.10118	38.5
135.08041	26.7
135.11678	16.0
137.09578	7.1
137.13235	8.1
141.06949	3.7
142.07770	11.9
143.08571	10.6
144.09244	2.4
145.06503	1.7
145.10103	37.1
147.08047	8.8
147.11681	44.6
149.09642	14.7
149.13196	6.4
151.07439	1.6
151.11171	3.8
155.08566	8.7
156.09349	5.1
157.10120	42.8
158.10797	1.6
159.08069	2.7
159.11674	21.9
161.05960	3.8
161.09584	13.9
161.13278	12.9
163.03922	1.6
163.07439	2.0
163.11150	5.2
163.14667	1.8
165.06972	5.1
165.12743	7.7
168.09280	1.8
169.10143	11.4
171.11656	13.2
173.09612	6.8
173.13237	7.4
173.57068	1.6
175.11179	53.8
175.14799	6.1
177.12724	4.9
177.16339	2.6
179.10786	2.0
182.07210	1.7
182.10857	2.0
183.11646	8.6
183.13905	2.4
185.13210	6.6
187.11089	3.5
187.14711	7.6
189.12737	4.5
189.16331	4.1
191.14224	2.0
193.06447	3.1
193.12234	79.7
196.12506	2.0
197.13234	11.3
198.09184	1.9
199.14807	14.1
201.12782	2.9
201.16412	8.0
203.14259	2.4
203.17938	4.5
209.13214	2.1
210.06743	3.9
211.07520	2.3
211.13229	50.0
211.14899	8.6
213.16295	8.6
215.11993	1.8
215.14259	3.6
215.17926	1.9
217.15857	1.6
221.05949	3.7
223.14638	1.9
225.09038	8.2
225.16330	6.0
227.14276	3.0
227.17941	9.5
229.16013	9.1
229.19543	2.2
239.17737	1.7
239.19951	3.2
241.19456	3.2
243.11221	7.9
243.17288	2.0
253.08575	12.6
257.22519	6.8
267.15903	5.6
267.21155	27.7
285.07510	7.9
285.11755	11.9
285.16959	56.4
285.22037	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01867	2.1
55.05510	17.4
56.96572	1.7
57.03437	21.7
57.07059	1.6
59.04979	1.0
64.64837	0.7
65.03934	1.4
67.05502	33.9
69.03426	1.5
69.07064	21.8
69.41877	5.2
71.04995	5.8
73.06542	0.9
73.31571	0.6
79.05486	22.3
81.03432	0.7
81.07054	100.0
83.04988	6.2
83.08617	9.8
85.02879	0.9
85.06540	7.3
85.07018	1.0
87.04482	0.8
89.01211	0.7
91.05477	23.9
93.07043	14.5
95.04971	3.9
95.08601	21.3
97.06528	9.2
97.10168	1.0
98.97553	0.7
99.04438	0.8
99.08080	5.7
101.06042	1.9
105.07025	38.9
107.04989	0.8
107.08587	13.9
109.06529	5.1
109.10154	4.6
111.08093	1.5
113.06008	1.9
117.06959	1.3
119.08572	29.9
121.10142	21.4
123.08060	5.5
123.11702	30.9
127.07570	3.1
129.07008	2.5
131.08524	3.3
133.10104	4.5
134.99605	0.8
137.13225	3.8
141.09068	1.6
142.07759	1.4
143.08517	1.4
145.10141	4.1
147.11681	76.0
148.12096	0.9
149.09596	1.0
157.10118	6.4
159.11749	1.7
161.13191	1.0
165.06952	1.0
165.12747	38.4
169.10065	0.9
171.01398	0.9
171.11673	0.8
173.13280	0.8
175.11176	5.2
175.14857	0.8
177.00728	0.9
183.13832	4.4
187.14842	0.8
193.12239	3.0
198.08875	0.6
199.14856	1.0
201.16490	1.1
211.14935	0.7
221.06070	0.8
225.09077	1.7
229.14223	5.7
243.11189	0.7
253.08621	2.6
257.04236	0.7
267.15915	3.8
267.21054	3.0
285.03949	3.6
285.07568	4.9
285.16946	41.0
285.21790	7.3
286.07913	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01867	1.9
55.05509	14.7
56.96562	0.6
57.03435	20.8
57.07065	1.1
59.04997	1.0
65.03947	1.9
67.05502	33.7
69.03422	1.4
69.07065	20.1
69.63158	2.6
71.04992	6.3
73.06551	0.6
75.93378	0.4
79.05487	19.9
81.03407	1.7
81.07053	100.0
83.04979	7.7
83.08614	9.3
85.02890	1.5
85.06536	6.4
87.04459	0.6
91.05476	27.3
93.07038	14.6
95.04965	4.0
95.08603	23.7
95.09232	0.8
97.02873	0.6
97.06524	8.3
97.10173	1.2
98.97577	1.5
99.04418	0.5
99.08078	4.3
101.06017	1.2
103.05473	0.5
105.07025	39.4
107.04935	0.8
107.08586	16.5
109.06521	6.0
109.10139	3.8
111.08082	1.4
113.05988	1.3
115.05500	0.5
115.07593	0.8
116.98617	1.5
117.06997	1.7
119.08576	34.3
121.06488	1.1
121.10137	22.5
123.08065	4.6
123.11701	29.8
125.96246	0.4
127.03948	0.9
127.07515	3.3
128.04276	0.6
128.06197	0.5
129.07019	2.7
131.08557	2.7
133.06474	0.4
133.10136	4.7
134.99696	0.8
135.08061	2.2
135.11713	1.6
137.09605	1.0
137.13251	3.4
139.11098	0.4
141.09103	1.3
142.07704	0.9
143.08528	1.3
144.09395	0.4
145.10121	3.8
147.11679	73.3
148.12042	0.6
149.01158	0.6
149.09650	1.1
149.13229	0.9
151.11165	0.5
153.00786	0.5
153.06967	0.4
155.08572	1.4
157.10120	5.0
159.11667	3.1
161.09575	0.9
161.13275	1.3
163.11139	0.4
165.06985	0.8
165.12749	35.8
169.10172	0.8
171.11682	1.9
173.09584	0.7
173.13251	1.0
175.11180	3.9
175.14804	3.0
177.00703	0.8
181.06596	0.5
183.11702	0.8
183.13782	3.8
185.13219	0.7
187.12274	0.6
187.14848	0.6
189.12634	0.5
189.16357	0.5
193.12213	2.1
197.09680	0.7
197.13277	1.0
198.09087	1.4
199.14832	1.3
201.12640	0.5
201.16339	0.8
211.14810	1.6
215.11806	1.0
225.09090	1.1
225.16460	0.9
227.17934	1.3
229.14288	5.0
229.16177	0.5
232.05495	0.4
243.11273	4.0
253.08566	1.8
254.13374	0.4
267.16000	3.4
267.21002	3.5
285.07620	1.3
285.12442	3.6
285.16974	37.1
285.21881	10.3
286.17285	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93714	0.7
51.56545	0.7
53.03934	1.2
55.01867	0.8
55.05262	0.9
55.05507	15.0
55.53826	0.7
57.03149	1.2
57.03432	19.4
57.07065	1.5
58.66441	0.9
60.52780	0.8
65.03929	1.0
65.70763	0.8
67.05501	33.0
69.03432	1.2
69.07066	18.8
69.54967	2.8
69.55405	3.4
70.82545	0.7
71.04987	6.0
73.06536	1.3
73.22056	0.7
74.70673	0.7
79.05488	22.2
81.03414	1.8
81.07052	100.0
83.04971	7.5
83.08617	9.0
85.02900	1.3
85.06532	6.8
87.04450	1.2
91.05478	25.3
93.07038	17.2
95.04951	3.9
95.08602	21.6
97.06525	7.7
97.10098	0.9
97.23612	0.9
99.08089	4.3
100.21943	0.9
101.06003	1.3
105.06293	1.7
105.07022	36.4
107.08590	13.4
109.06498	5.7
109.10136	3.6
111.08093	1.3
113.05969	1.0
117.06994	1.7
119.08572	30.2
121.06487	1.1
121.10139	19.4
121.11012	1.1
123.08065	5.9
123.11698	29.6
127.07565	2.8
129.07002	2.7
131.08562	2.6
133.06476	0.9
133.10139	4.9
135.08061	3.4
135.11646	2.1
137.09578	1.2
137.13235	3.5
139.17513	0.8
141.09062	0.9
142.07785	1.2
145.10100	3.8
147.11678	67.5
149.09589	1.1
151.11139	1.0
155.08563	0.8
157.10120	5.0
159.11705	2.5
161.13272	0.9
165.12752	33.4
169.10199	1.0
171.11684	1.0
173.13240	1.2
175.11182	5.5
175.14793	0.9
183.13779	2.7
185.13327	1.0
187.14700	1.2
193.12253	2.6
198.09081	0.8
199.14690	1.1
211.13228	1.1
221.06140	0.8
225.16377	1.0
229.14270	4.3
236.92461	0.8
243.11343	2.8
267.15887	3.8
267.21066	3.4
285.07690	1.5
285.12213	1.7
285.16965	31.9
285.21927	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
55.01851	2.9
55.05508	13.0
57.03235	1.0
57.03441	11.4
57.07065	1.6
65.03946	1.6
65.88107	1.2
67.05503	25.0
69.03434	3.5
69.07071	9.6
70.00708	7.9
71.04991	5.1
71.83123	1.4
79.05492	19.3
79.55878	1.2
81.03417	100.0
81.07054	36.8
83.04990	9.1
83.08614	21.9
85.02908	11.4
85.06541	3.8
91.05478	23.2
93.07043	16.2
95.04967	29.9
95.08611	13.9
97.02898	2.8
97.06537	3.8
105.07034	25.4
105.07671	2.1
107.04973	6.9
107.08597	10.9
109.06519	5.3
109.10162	8.6
111.04433	2.7
111.08089	11.0
111.75799	1.2
117.07018	3.7
119.04924	1.5
119.08581	26.2
121.06506	3.7
121.10126	14.9
123.08100	2.8
123.11700	6.9
125.09633	2.0
129.06981	9.0
131.08588	10.1
133.06593	3.1
133.10118	8.1
135.08107	3.7
135.11716	3.2
137.09637	2.3
137.13237	1.4
142.07803	6.3
143.08568	1.8
145.10117	7.9
147.08055	4.7
147.11687	23.2
149.09628	6.7
149.13275	2.4
155.08543	2.6
157.10132	15.5
159.11699	5.2
161.09644	3.0
161.13269	2.7
165.12755	11.1
169.10211	2.1
171.11722	2.7
173.13217	3.1
175.11177	17.0
175.14877	2.0
176.15834	1.4
183.11684	1.6
185.13333	1.9
187.14790	1.7
189.16434	1.5
193.12236	48.0
194.64865	1.4
199.14944	1.5
211.13242	11.7
211.14703	1.5
225.16374	2.2
229.15996	2.3
243.11314	6.5
267.15891	9.0
267.21149	7.0
285.07660	2.6
285.12021	2.5
285.16953	13.2
285.22040	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.6
54.41782	1.7
55.01870	7.5
55.05511	27.2
56.96558	8.3
57.03438	47.8
57.07077	3.4
61.87438	2.1
64.24195	1.8
65.03953	3.0
67.05503	42.9
69.03425	8.6
69.07059	13.8
69.40866	4.7
69.41280	13.1
71.04987	10.7
73.02925	2.5
79.05491	41.3
81.03416	100.0
81.07056	53.6
83.04984	19.9
83.08620	29.2
85.02902	73.8
85.06542	5.7
86.09706	2.5
91.05478	49.3
93.07042	34.6
95.04967	45.1
95.08604	27.3
97.02912	6.3
97.06529	5.5
97.10177	3.6
98.97589	2.0
99.04457	3.0
99.08102	1.9
103.52672	1.9
105.07027	44.4
107.04961	12.7
107.08586	19.6
109.06531	12.1
109.10164	8.4
111.04446	5.9
111.08083	20.8
113.06000	8.0
115.05441	3.2
116.98643	2.2
117.07004	5.8
119.04987	3.0
119.08577	41.7
121.06487	2.4
121.10148	20.1
123.08076	6.7
123.11715	6.2
125.09608	3.4
128.06252	2.3
128.98601	2.6
129.05438	1.8
129.06989	16.3
131.08577	16.3
133.06496	5.7
133.10127	21.6
135.08063	4.6
135.11742	4.6
137.09662	2.4
142.07774	9.0
143.08554	4.9
145.10115	7.5
147.08067	6.1
147.11670	30.2
149.09612	10.0
157.10129	28.3
159.11659	4.6
161.06004	3.4
161.09593	2.4
161.13298	2.6
165.07056	3.0
165.12756	7.6
169.10162	2.0
171.11697	3.4
171.34398	2.0
175.11179	36.3
179.08496	2.2
181.06390	2.6
183.11665	2.2
193.06631	2.7
193.12241	76.9
199.14845	4.1
210.06700	3.1
211.13274	52.4
213.16368	2.7
217.07509	4.4
225.09207	6.4
229.04984	3.7
238.06361	2.1
238.64195	1.8
241.07472	3.7
243.11383	4.0
253.08611	6.6
257.04559	2.3
259.08539	7.9
267.15936	7.4
267.20972	5.2
282.09930	2.0
285.03934	7.9
285.07391	4.1
285.12567	9.5
285.16922	56.0
285.21790	13.6
285.29794	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03172	6.1
55.05503	6.9
56.05022	7.0
56.96332	6.9
56.96563	72.8
57.15564	6.4
67.05488	8.9
68.05003	9.3
69.03402	7.8
69.07059	15.1
70.06583	46.4
70.06886	7.4
71.05000	9.0
71.59051	11.9
72.08153	13.4
74.02425	9.4
75.50047	7.1
79.05449	6.8
81.03406	23.3
81.07037	13.6
81.36713	7.2
82.02924	6.5
82.06557	13.6
83.04969	20.0
83.06090	10.2
84.04496	40.1
84.08121	30.0
85.02890	19.0
86.09684	11.4
94.04256	6.0
94.06546	9.8
95.04997	9.8
95.06075	21.7
96.06413	9.1
97.02889	10.6
98.06017	8.6
98.97565	11.1
106.06523	10.4
110.06004	9.5
110.07141	28.1
112.08723	7.0
116.95523	7.1
116.98614	11.6
118.04971	7.7
122.06020	22.1
123.04416	8.1
124.03938	15.8
124.07542	18.6
130.05051	9.1
136.06145	17.8
137.18353	6.5
137.81963	6.4
138.05489	10.8
139.08635	11.5
140.00224	7.2
140.07047	21.5
141.10211	12.9
146.01219	12.9
146.04378	14.5
147.04732	9.7
152.05583	8.4
154.07246	13.2
156.03345	8.1
158.01262	25.1
160.02788	26.1
161.01331	8.1
163.03873	24.6
163.07127	11.7
170.05238	9.8
171.01424	13.2
174.04349	28.3
176.02315	13.5
177.00723	12.2
182.04941	13.2
184.00032	28.6
192.03912	7.2
192.05347	39.8
200.05910	19.2
204.01706	9.4
212.05917	30.4
222.96727	8.7
226.16310	17.7
226.73216	7.6
230.07011	30.6
241.08818	9.2
251.10301	8.3
258.06448	28.2
267.07382	73.5
285.08011	100.0
285.23822	17.0
303.08597	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0756
Annotation	GENISTEIN, 8-METHYL
Peak:m/z	Relative Intensity
58.31124	0.2
65.03934	0.5
67.01853	0.8
67.05479	0.4
69.07075	0.3
70.66360	0.6
70.66883	0.2
81.07039	0.5
91.05473	3.9
93.07014	0.3
95.04949	0.6
95.08592	0.3
98.97611	0.2
101.69009	0.2
105.07043	0.3
107.04953	0.5
107.08562	0.5
109.10136	0.4
111.04419	0.8
118.04185	0.2
119.04941	1.8
119.08585	0.4
120.05749	0.2
121.02814	0.6
123.04380	0.5
124.01547	0.5
125.02422	0.2
131.04895	0.8
131.08575	0.3
134.03624	0.7
135.04410	1.7
139.03876	0.2
141.06947	1.1
143.08481	0.2
145.02850	2.3
145.10138	0.4
152.06218	0.3
153.06984	0.4
155.03346	0.4
157.06413	0.2
158.07227	0.7
159.04410	1.0
161.05867	0.3
163.03897	6.7
165.06982	0.4
167.03391	14.0
168.05707	1.6
169.06459	1.8
169.10083	0.3
170.07231	0.3
171.04250	0.2
173.09538	0.2
179.03416	0.3
181.06393	0.5
183.08020	1.2
185.05916	0.3
186.06734	1.6
187.03850	0.7
196.05132	1.1
197.05910	1.8
198.06679	0.4
201.09119	0.9
210.19374	0.2
211.07526	2.3
213.05414	0.7
214.06226	2.2
224.04666	1.5
225.05484	0.5
226.06154	0.2
229.08583	14.4
230.08946	0.4
239.07005	3.4
241.04951	0.5
242.05721	2.5
252.04161	0.7
257.08090	2.5
267.06473	2.5
267.20917	0.3
269.04416	0.2
270.05185	6.3
273.04156	0.2
285.07553	100.0
285.21997	0.8
286.07928	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	285.0756
Annotation	GENISTEIN, 8-METHYL
Peak:m/z	Relative Intensity
55.05485	0.7
56.96541	0.6
57.03426	0.9
57.19553	0.3
65.03921	0.6
67.01863	0.4
67.05506	1.3
69.03444	0.4
69.07060	0.9
69.27770	0.4
70.39375	1.4
78.49699	0.3
79.05473	0.9
81.03402	0.5
81.07055	2.0
83.04972	0.4
84.56643	0.3
86.74695	0.3
89.03886	0.4
90.87029	0.3
91.05479	4.4
93.07025	0.7
95.04964	0.8
95.08607	1.2
101.35373	0.3
105.03368	0.4
105.07037	1.1
107.04937	0.6
107.08557	0.8
109.06545	0.5
109.10143	0.6
111.04440	1.1
115.05451	0.7
116.98569	0.4
119.04948	2.3
119.08575	1.6
121.02888	0.7
121.10143	0.6
123.04406	0.6
123.11719	0.4
124.01543	0.7
125.02312	0.4
127.21439	0.3
127.82668	0.3
131.04924	1.0
131.08493	0.5
131.26086	0.3
131.27121	0.5
133.10284	0.3
134.03629	1.2
134.99649	0.4
135.04410	1.6
140.06219	0.3
141.06963	1.5
142.07748	0.3
143.08606	0.4
145.02853	2.7
145.10106	0.7
147.11702	0.6
155.08536	0.6
156.89824	0.3
157.10152	0.5
158.07292	0.9
159.04427	1.3
159.08063	0.5
161.05986	0.7
161.09634	0.4
163.03908	6.5
165.06950	0.6
165.12727	0.4
167.03386	15.6
168.05673	1.6
169.06522	1.7
169.10077	0.5
170.07256	0.6
173.09668	0.5
174.72704	0.3
179.03513	0.4
181.06473	0.6
183.08043	2.1
186.06665	1.6
187.03909	1.0
193.12253	0.4
196.05191	0.7
197.05949	1.0
198.06714	0.6
201.09016	0.7
210.06737	0.4
211.07579	2.2
213.05479	0.9
214.06226	2.7
221.05928	0.8
222.96747	0.3
224.04668	1.2
225.05429	0.4
225.09126	0.8
229.08592	15.1
238.06186	0.3
239.06987	4.1
239.14247	0.3
242.05791	2.1
252.04266	1.0
253.08542	1.6
257.08029	2.9
267.06485	2.5
269.04379	0.5
270.05188	5.6
284.29385	0.6
285.07559	100.0
285.21896	1.5
285.29800	0.5
286.07843	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2008
Annotation	Levallorphan
Peak:m/z	Relative Intensity
53.03931	1.3
53.25262	0.8
55.05494	2.7
57.03421	0.8
57.07070	4.2
61.18342	0.8
65.03933	1.0
67.05497	5.0
69.07068	3.0
71.08617	3.2
71.59882	1.7
76.15478	0.8
79.05476	4.0
81.03396	1.9
81.07059	4.8
83.08595	1.4
85.10128	0.9
88.07658	1.4
91.05454	5.2
93.07041	2.8
94.06558	4.3
95.04964	1.6
95.08608	1.6
104.78145	0.9
105.07007	3.0
106.06567	2.8
107.07330	1.9
108.08100	1.4
109.10098	1.0
115.05437	1.9
117.05762	2.1
117.07005	1.6
118.06596	1.6
119.04929	0.9
119.08500	1.0
122.06002	5.6
128.06285	1.2
129.06992	2.0
130.06520	15.2
131.07295	1.3
131.08551	1.6
132.08064	2.0
133.06540	0.9
134.05951	1.5
134.99635	1.0
141.06924	2.1
141.12802	1.3
142.06482	1.6
143.07265	3.2
144.08098	5.6
145.06357	0.9
154.06525	1.3
155.07251	2.5
155.08559	2.7
156.08083	21.0
157.08855	17.7
157.10130	1.1
158.09663	6.7
160.07564	1.6
161.08351	1.7
169.10143	1.0
170.09663	13.6
171.10406	2.2
172.07561	2.1
172.11189	2.1
176.14323	1.6
177.12798	2.5
182.09622	3.6
183.08051	1.7
184.07590	5.1
184.11211	2.3
185.08366	2.9
186.09149	3.7
194.09579	1.3
196.11317	1.0
198.09123	6.6
199.09885	2.8
200.10667	8.7
212.10678	5.4
213.11415	1.2
214.12184	1.0
226.12682	1.0
233.23560	0.9
242.18991	6.8
256.20627	4.1
278.46106	1.0
284.20078	100.0
284.29459	10.5
284.33075	4.6
285.20432	2.6
285.24423	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.6
55.01867	10.8
55.05506	1.6
57.03430	5.3
60.04538	1.7
61.02930	6.6
67.05504	1.9
68.99786	4.4
69.03430	35.5
69.07060	2.6
69.56736	6.3
69.57157	3.3
71.04980	4.4
73.02916	12.3
76.03998	8.1
80.05018	1.6
81.03418	32.1
81.07059	2.2
83.08613	1.4
85.02904	100.0
87.00294	2.2
87.00828	40.8
87.04498	2.1
91.03949	2.2
93.07066	2.5
95.08572	1.5
97.02885	62.5
97.06512	1.1
98.20740	2.3
99.04451	17.6
105.01866	61.3
107.08556	1.6
108.04478	7.0
109.02880	28.5
117.01831	3.4
121.10124	1.6
126.05523	4.7
127.03913	98.8
129.01852	5.7
134.93698	1.1
145.04953	76.8
147.02849	4.7
159.02888	28.9
177.03893	1.9
189.03970	1.7
213.03955	3.8
217.58601	1.2
225.14659	1.1
230.06583	3.9
231.04988	26.2
248.07707	2.9
249.06064	7.1
269.31570	1.2
284.09915	3.1
284.29434	3.7
285.07578	1.2
309.38599	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0987
Annotation	guanosine
Peak:m/z	Relative Intensity
55.01852	0.6
57.03423	0.4
57.20976	0.3
70.06560	0.6
70.22092	1.4
82.15962	0.3
90.91714	0.3
100.80685	0.3
105.35005	0.3
107.13824	0.3
109.05080	0.7
109.99157	0.4
110.03530	2.3
121.38281	0.3
128.04558	1.6
130.53632	0.3
134.04640	0.5
135.03026	4.2
139.08653	0.7
140.42238	0.3
150.28194	0.3
152.05670	100.0
153.04070	9.3
257.97678	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2053
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
53.03936	2.2
55.05507	14.7
57.03431	3.4
57.07066	5.8
67.05499	27.8
69.03407	6.4
69.07058	13.7
70.04469	10.2
71.04982	3.8
73.46647	1.9
79.05494	21.8
81.07055	42.0
83.04973	5.6
83.08611	9.3
85.06518	2.3
91.05476	27.4
93.07040	45.6
95.04948	14.7
95.08602	34.1
97.06541	5.4
105.07025	53.9
107.08579	35.7
109.06498	6.8
109.10150	17.7
117.07001	13.7
119.04937	2.0
119.07780	4.2
119.08574	49.6
121.06495	9.6
121.10136	77.3
123.08072	7.8
123.11672	9.1
128.06212	3.3
129.06973	7.4
130.07822	3.6
131.08560	37.2
133.10114	30.6
135.08061	9.3
135.11662	7.7
137.09619	2.5
142.07741	5.7
143.08537	21.7
144.09323	5.8
145.10109	38.8
146.07245	3.0
147.08043	4.5
147.11671	12.2
149.09607	4.0
155.08539	5.3
156.09332	6.6
157.10115	22.5
158.10910	9.2
159.08060	5.3
159.11699	15.8
161.09592	21.7
161.13257	5.1
163.11177	4.9
163.14813	2.4
165.07002	5.1
167.08482	3.3
168.09358	3.1
169.10075	7.9
170.10912	3.9
171.11638	15.2
172.12347	2.6
173.09590	5.0
173.11739	3.4
173.13251	66.6
175.11180	4.6
175.14803	7.4
179.08536	7.6
180.09404	4.3
181.10092	8.3
183.11713	14.3
185.13257	12.1
187.11171	2.7
187.14809	8.0
189.12750	2.8
191.14297	6.1
193.10178	4.7
194.10947	6.8
195.11726	11.4
197.13286	6.2
199.11179	6.7
199.14748	10.4
201.12816	3.1
201.16341	2.6
207.11598	2.5
208.12439	2.9
209.13277	17.6
210.13937	2.2
213.12730	5.2
213.16457	3.2
215.14313	3.9
223.14771	10.3
225.16388	8.7
227.14305	9.9
237.16460	4.4
239.18028	3.4
241.15790	3.2
255.21092	8.7
265.19485	28.0
265.22064	2.7
278.00778	2.9
283.20547	100.0
284.09167	2.2
284.21082	2.3
284.29459	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	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85634	1.0
52.42834	1.0
52.43148	1.1
53.03936	3.7
53.76229	1.1
55.01865	5.0
55.05508	15.5
56.96565	1.6
57.03430	14.8
57.07067	1.6
65.03909	1.4
67.05498	19.3
68.78662	1.1
69.03436	1.9
69.07069	10.5
70.85394	2.3
70.85747	2.7
71.04981	3.1
73.02899	1.1
74.58733	1.1
78.53432	1.3
79.05488	35.2
81.03408	5.8
81.07050	27.7
83.04973	6.0
83.08612	12.8
85.02900	1.9
85.06548	3.1
91.05477	14.2
93.07038	45.2
93.07624	2.3
93.20700	1.1
95.04960	10.6
95.08597	49.7
97.02909	5.6
97.06537	6.3
97.10181	1.9
99.04456	5.1
101.12290	1.3
103.05424	1.9
105.07021	14.4
106.06592	2.3
107.04957	12.6
107.08586	34.5
109.06499	4.4
109.10142	7.2
111.04437	2.3
111.08092	3.5
117.06998	11.4
119.08565	22.3
121.02865	4.0
121.06472	7.5
121.10126	17.0
123.08066	1.9
123.11686	2.8
124.41085	1.2
125.05978	3.5
128.06244	2.1
129.07019	2.1
130.07788	3.0
131.08557	6.1
133.10136	5.2
135.08066	7.1
135.11682	52.4
143.00168	1.2
143.08569	4.5
145.06419	1.4
145.10109	34.8
147.11656	2.5
151.11194	1.1
153.12773	2.1
155.08530	2.0
157.10098	3.5
159.11668	2.4
161.09685	2.5
163.11168	78.0
165.07076	2.4
167.08534	2.0
169.10115	1.7
171.11620	2.8
173.09621	3.8
173.13257	2.7
179.08528	1.4
181.10088	2.2
181.12209	16.3
183.11749	1.8
185.09639	1.6
185.13277	3.2
187.11177	1.9
187.14845	1.9
191.17822	1.2
195.11769	1.8
197.13280	4.5
199.11133	1.3
209.11572	2.5
209.13390	2.7
211.14807	1.4
223.14754	3.0
227.12755	100.0
228.13200	1.9
235.10684	3.3
236.08011	2.2
241.15701	1.3
251.10252	4.5
265.19540	3.4
266.12552	12.7
276.44415	1.4
283.09656	2.0
283.15402	22.9
283.20471	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	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
54.63924	1.2
54.65799	1.3
55.01859	5.7
55.05508	12.4
56.72875	1.2
57.03236	1.0
57.03437	12.6
57.07070	1.5
65.03930	1.6
67.05499	22.3
69.03416	1.8
69.07066	11.6
70.85728	3.3
71.04998	3.3
73.02909	1.7
79.05487	33.3
81.03414	2.6
81.07055	22.8
83.04969	6.8
83.08619	10.8
89.06025	8.8
91.05470	10.7
93.06462	3.1
93.07039	41.4
95.04960	9.7
95.08603	37.0
97.02891	4.4
97.06536	5.6
99.04433	3.6
103.23311	1.3
105.07028	8.3
107.04960	9.7
107.08591	31.4
107.26891	1.3
109.06554	3.1
109.10139	3.9
111.04450	3.4
111.08083	2.2
117.07025	12.8
119.08594	9.8
121.06497	7.1
121.10130	11.6
125.05967	4.6
127.07547	1.3
130.07811	2.1
131.08524	2.1
131.63499	1.2
133.08586	3.0
133.10129	3.6
135.08112	2.2
135.11682	47.9
139.07570	2.4
145.10112	28.4
153.12735	1.7
154.65184	1.3
163.11176	72.6
181.12213	14.8
191.10686	2.4
218.50702	1.3
227.12759	100.0
228.13130	2.3
255.15906	3.1
283.15366	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.1
54.05896	1.1
55.01866	8.0
55.05258	1.4
55.05508	18.0
56.96547	2.8
57.03434	13.7
57.07076	3.0
57.37819	1.1
65.03947	1.9
67.05500	28.3
69.03426	3.8
69.07069	13.5
69.68279	8.3
70.06569	1.1
71.04986	4.9
73.02919	2.7
79.05486	34.3
81.03417	5.3
81.07056	33.8
83.04973	8.0
83.08615	12.3
84.08142	1.3
85.02914	3.1
85.06528	2.5
88.76989	1.0
91.05477	17.3
93.07038	51.0
95.04962	13.5
95.08604	53.8
97.02895	6.9
97.06543	8.4
97.10159	1.9
99.04443	5.5
99.25146	1.0
103.05460	2.6
105.07025	20.3
107.04954	14.8
107.08588	37.8
109.02913	1.8
109.06522	5.3
109.10137	8.9
111.04438	4.1
111.08076	3.4
113.05988	2.5
113.09653	1.0
115.05425	1.7
117.07018	19.0
119.04916	1.2
119.08572	23.2
120.08096	1.9
121.02859	11.0
121.06484	9.0
121.10148	20.6
122.10493	1.1
123.08048	2.5
123.11740	2.3
125.06011	4.1
128.06163	1.3
129.06993	4.4
130.07787	3.5
131.04906	1.7
131.08548	7.8
133.10123	6.0
134.99722	1.5
135.08067	7.2
135.11685	56.3
139.06323	1.0
139.07520	1.9
141.07024	1.8
142.07776	2.2
143.08557	7.6
145.04874	1.2
145.06502	1.6
145.10115	39.7
146.10423	1.2
147.08109	1.8
147.11679	3.3
149.09596	2.0
151.03909	1.4
153.07083	1.2
153.12698	1.4
155.07112	2.6
155.08542	4.6
156.09328	1.4
157.10097	7.0
159.08092	1.3
159.11702	5.0
161.09671	1.9
161.13347	1.5
163.11174	80.9
167.08607	2.6
169.10133	4.9
171.11659	5.0
173.09612	6.3
173.13286	3.2
175.11212	1.4
179.08553	1.7
181.10118	3.2
181.12257	18.4
183.11729	2.5
185.09587	2.8
185.13254	3.5
187.11174	2.2
191.10692	1.8
192.08905	5.8
194.11043	1.7
195.07990	1.2
195.11719	3.2
197.13243	5.3
198.07997	1.2
199.14772	2.7
209.11563	2.3
209.13278	4.7
211.14900	3.4
212.09416	1.3
213.12830	1.7
220.08360	8.4
223.14827	2.7
225.16382	4.1
227.12759	100.0
228.13123	2.2
237.08527	1.6
239.17989	1.3
241.09737	3.4
252.11020	13.4
255.11113	2.0
255.21207	2.0
265.19632	7.8
283.06268	1.1
283.10593	7.2
283.15460	28.2
283.20477	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62283	0.9
52.93850	0.9
53.03940	1.8
54.14891	1.0
55.01865	3.7
55.05511	11.0
56.96571	1.8
57.03432	9.8
57.07057	2.3
62.41805	0.9
65.03923	1.3
67.05502	16.2
69.03413	3.6
69.07063	10.5
69.53488	5.9
71.04977	3.9
71.08623	1.1
79.05487	19.9
81.03423	4.4
81.07050	22.4
83.04964	5.2
83.08627	7.1
85.02900	2.5
85.06533	3.1
91.05470	13.5
93.07040	31.6
95.04951	7.6
95.08601	34.2
97.02905	2.9
97.06522	4.6
97.10165	1.8
98.97590	2.9
99.04460	3.1
102.96813	1.1
105.07011	13.4
107.04959	9.1
107.08591	21.7
109.06489	3.6
109.10146	6.0
111.04431	3.4
111.08039	1.2
113.05962	1.5
115.05434	1.3
116.98617	1.1
117.07032	8.4
119.08585	15.4
121.02877	4.8
121.06472	6.3
121.10140	9.9
123.11642	1.1
125.05996	2.3
129.07004	2.5
130.07785	1.6
131.08553	5.3
133.10094	5.2
133.75119	1.0
134.99648	1.1
135.08084	5.8
135.11687	33.3
137.13239	1.3
139.07544	1.0
141.06982	1.3
142.07805	1.7
143.08583	4.7
145.06442	1.3
145.10104	24.8
147.11658	2.7
153.12761	1.8
155.08559	2.9
156.09344	1.2
157.10138	6.6
159.11684	4.3
161.09596	3.1
163.11174	49.6
167.08556	2.2
169.10081	3.5
171.11703	2.9
173.09605	3.3
173.13290	2.2
177.00681	1.3
181.10088	1.5
181.12233	10.7
183.11676	2.4
185.13177	1.1
187.08195	1.5
195.07964	1.5
195.11687	2.6
197.13170	5.6
199.11328	1.2
199.14728	1.2
209.11630	1.6
209.13321	2.2
213.12711	1.7
215.14189	1.1
223.14812	1.9
227.12743	57.1
233.11513	4.1
235.10843	1.3
265.08646	1.7
265.14166	1.6
265.19366	2.7
266.12543	1.3
269.12268	6.6
283.09818	6.3
283.15192	100.0
283.20142	18.9
284.15628	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01871	4.9
55.05506	11.3
57.03436	11.7
57.07060	2.6
63.05188	0.8
64.21488	0.9
67.05501	19.8
69.03423	1.6
69.07061	9.8
69.91411	4.2
69.91826	1.7
71.04992	3.6
73.02949	1.0
77.75317	0.8
79.05484	29.5
81.03423	2.7
81.07047	23.2
83.04982	5.0
83.08614	8.5
87.49200	0.9
89.06028	4.0
91.05475	10.2
93.07039	39.8
95.04965	8.1
95.08601	41.5
97.02914	4.4
97.06522	4.7
97.10172	1.6
98.21385	1.3
99.04459	5.1
103.05489	1.0
105.07032	8.2
107.04959	10.5
107.08591	30.2
109.02934	0.8
109.06520	2.0
109.10157	2.8
111.04436	2.4
111.08076	1.1
117.06996	10.6
119.08579	10.1
121.06501	6.1
121.10129	12.8
125.05997	3.4
129.06963	2.0
130.07814	1.7
131.08589	2.0
133.08612	1.0
133.10152	2.5
135.08096	2.4
135.11681	54.0
139.07564	3.1
145.06573	1.0
145.10112	29.9
153.12791	1.3
155.08566	1.2
163.11176	72.6
164.11569	0.9
173.09663	2.2
181.12215	17.6
183.68805	1.1
191.10667	1.2
209.11644	2.3
227.12759	100.0
228.13164	2.2
231.89093	0.9
263.29181	0.9
283.15402	21.8
283.20468	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22330	1.0
69.03434	9.4
70.42627	2.5
70.43024	2.8
81.03413	5.5
98.21420	1.4
99.04465	4.7
116.07063	1.4
120.09350	1.0
124.09457	1.2
130.03537	5.6
134.69884	1.3
138.05263	16.4
140.03165	4.5
157.04594	4.4
167.04279	100.0
168.02678	74.8
175.05679	3.7
185.05315	11.7
186.03784	1.3
237.07274	1.4
247.07086	1.4
265.05893	1.6
265.08057	14.5
265.34973	1.2
283.09045	41.2
293.92447	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43363	2.9
62.28219	2.3
69.03413	7.8
69.96776	5.4
69.97176	7.6
76.61232	2.5
81.03413	3.8
85.77572	2.4
98.21610	3.2
99.04456	4.6
138.05281	16.0
140.03148	2.9
143.47604	2.4
167.02202	4.8
167.04283	100.0
168.00551	5.3
168.02696	65.8
185.05359	8.4
265.05801	9.7
265.08340	12.9
275.86063	2.5
283.06674	11.8
283.09335	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	283.069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80341	2.8
56.96292	4.9
56.96561	82.5
67.04224	3.6
70.20732	9.6
80.05000	5.2
81.03406	4.3
82.06567	33.9
83.97610	6.2
85.99197	2.9
94.06612	2.8
95.91008	2.8
97.14881	2.4
97.99156	10.1
98.06048	2.7
109.99164	52.5
112.00750	5.3
116.00204	7.9
121.07628	2.9
122.05996	3.1
128.00195	83.2
128.96388	2.7
128.98563	5.8
129.98134	3.5
130.01735	9.6
130.03487	6.9
131.33504	2.8
134.01279	2.9
136.07536	2.9
138.05194	6.5
140.00224	6.7
142.01761	3.0
146.01221	48.4
147.99190	2.9
148.02760	6.6
152.05663	6.1
155.01231	4.5
155.99675	7.1
156.03345	6.2
156.98093	6.3
157.04591	10.7
158.01257	21.1
164.02368	3.2
166.00369	3.4
166.01764	9.6
167.04260	40.2
168.02612	21.5
170.05147	3.2
173.02402	7.4
174.00757	16.8
174.99126	5.1
175.05598	8.1
176.02292	8.6
176.03693	2.7
177.04318	4.0
184.02811	32.7
185.05228	4.2
192.01802	10.6
201.05611	2.7
202.03841	24.3
203.07903	2.9
206.79321	3.0
211.03889	11.6
211.56000	3.4
219.02731	4.8
219.04538	6.7
221.05998	6.3
237.05495	54.3
237.07420	2.6
238.03838	4.9
239.06999	5.3
255.06413	25.8
257.07776	4.6
265.05020	15.7
265.07944	6.9
283.06015	100.0
283.08957	12.7
301.03571	4.5
301.07022	91.2
301.12186	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	2.3
56.96553	5.4
57.03424	1.9
67.05496	2.5
69.03425	6.9
69.07049	2.8
70.06585	5.2
71.58421	3.1
72.08147	2.7
73.02892	1.9
77.11971	1.5
79.05453	1.6
81.03403	6.2
82.87789	1.5
83.04970	4.6
84.04499	1.8
84.08121	4.2
85.02880	1.7
88.07661	1.7
91.05481	5.0
97.02879	1.5
99.04453	3.3
100.03902	1.5
103.05441	7.3
105.07029	16.0
107.04926	3.5
115.05454	2.0
116.98604	2.3
117.05779	3.7
120.04427	1.8
120.08107	22.7
121.08390	1.8
128.98639	1.5
130.06519	8.7
131.04935	4.3
132.08083	100.0
134.09625	8.3
134.99628	2.9
136.06171	39.1
136.07436	2.8
137.05957	1.6
137.07933	2.6
144.08069	8.4
150.09123	3.8
162.09140	13.5
163.03926	1.9
166.08611	7.2
177.00597	1.7
178.08632	44.7
195.11221	2.0
204.10153	1.8
208.09669	13.6
218.11865	2.5
246.11227	5.3
282.06555	12.2
282.09369	1.9
282.13345	3.8
282.19189	2.0
282.21976	2.6
285.81598	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0599
Annotation	Mutisifurocoumarin
Peak:m/z	Relative Intensity
52.61943	1.9
56.96562	79.8
67.04237	4.3
71.08270	2.8
74.06059	1.8
74.97606	2.3
81.03421	2.1
82.06580	12.8
83.97623	6.2
84.08103	1.5
84.96033	3.0
85.47137	1.7
85.99174	2.9
94.06554	2.7
97.99186	8.9
100.07623	3.4
100.96267	1.7
109.99165	52.4
112.00749	5.1
116.00213	7.0
121.07638	1.5
128.00204	89.7
128.98590	5.2
129.98102	3.2
130.01791	9.5
130.03488	4.2
134.01271	3.4
135.03073	1.9
136.07574	4.7
138.02234	3.4
138.05266	3.3
139.00655	2.9
140.00177	7.2
142.01764	2.8
146.01242	45.5
146.25360	1.4
146.99622	3.9
147.99200	3.7
148.02792	5.2
150.02284	3.0
152.05669	15.5
154.01721	3.2
155.01277	5.1
155.99599	7.7
156.03305	3.9
156.98105	4.7
157.01784	2.9
157.04588	4.1
158.01257	21.6
160.02760	1.8
164.02290	6.1
166.01688	7.8
167.04276	19.2
168.02556	12.4
172.02840	4.3
173.02324	5.3
174.00764	13.6
174.99193	8.9
175.05608	3.3
176.02344	10.0
184.02829	34.0
186.04288	1.7
186.27448	1.6
192.01831	10.8
193.02917	1.8
194.04906	3.4
197.02800	1.8
198.04382	1.4
202.03911	22.0
210.04362	2.9
211.03917	9.3
212.05942	2.9
219.02832	6.0
219.04639	3.5
220.02773	5.9
221.06001	5.2
228.05383	2.1
229.04990	3.0
230.03218	2.0
230.06340	2.0
237.05493	47.3
238.03851	5.5
239.07027	7.2
247.03914	1.9
255.06506	30.5
257.08096	6.0
265.04968	16.3
265.07947	4.7
283.06021	100.0
283.09015	6.5
284.06000	1.6
301.07071	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.7
55.01866	7.9
55.05510	42.2
56.96564	21.8
57.03434	41.5
58.91198	4.6
65.03949	5.1
67.05504	91.6
69.07063	23.6
71.04980	5.0
71.59179	7.0
71.95281	5.0
79.05492	100.0
81.03410	17.9
81.07063	79.4
83.04984	36.0
83.08618	14.8
84.12943	4.6
85.06536	7.5
91.05482	71.4
93.07047	84.6
95.04976	30.3
95.08606	62.4
95.09164	7.4
97.06548	6.2
97.10178	9.4
98.97639	11.4
105.07040	63.1
107.04960	15.5
107.08614	29.3
107.43745	4.4
109.06537	6.5
109.10164	10.3
116.98602	23.1
117.07044	8.9
119.08567	29.6
121.10188	9.3
123.08080	14.8
123.11733	4.8
129.07010	18.4
133.10136	19.6
134.99684	23.9
143.08583	14.3
145.10136	16.6
147.08057	4.9
147.11687	46.3
147.47781	5.4
149.60699	5.4
153.00725	6.4
153.06975	7.6
154.07800	9.4
161.09566	8.3
161.13284	15.5
165.06996	42.1
168.44882	5.0
171.11681	33.4
181.06535	15.0
182.07304	25.5
183.08298	4.6
185.33495	4.7
187.37579	4.9
189.12788	15.1
189.57718	5.1
193.06506	11.1
194.07324	18.9
197.05920	6.8
197.09650	6.5
207.03415	5.7
207.13797	10.4
210.06754	45.7
210.92117	6.6
214.96344	5.0
221.05994	36.9
222.06721	31.0
225.04410	6.0
225.09158	13.6
234.92183	10.7
237.05476	7.8
238.06166	31.5
252.93228	4.7
253.08615	69.0
258.99805	10.0
277.00809	22.4
281.08096	91.7
281.11356	11.1
281.17136	41.5
299.06201	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	281.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.5
55.01871	4.6
55.05511	40.9
56.96562	5.4
57.03437	28.1
57.07066	2.6
58.82058	2.4
59.04995	2.1
63.69576	1.9
65.03927	6.3
67.05502	80.2
69.03429	3.1
69.07064	20.1
69.80765	7.3
69.81199	6.6
71.04994	4.9
71.53130	2.2
79.05492	100.0
81.03415	20.1
81.07056	73.8
83.04979	31.2
83.08621	13.0
85.02923	2.1
91.05479	75.4
93.07040	63.4
95.04971	34.2
95.08044	3.5
95.08609	39.7
97.02898	2.6
97.06532	6.8
97.10178	5.2
98.21557	2.4
98.97571	5.3
105.07027	51.5
107.04958	12.6
107.08601	26.2
109.06525	7.7
109.10146	10.3
116.98608	9.8
117.07015	13.1
119.08572	33.6
120.30427	2.0
121.06536	6.6
121.10130	8.1
123.08048	7.1
123.11746	2.9
127.07542	3.0
129.06990	19.2
131.08580	3.7
133.10138	15.5
134.99637	11.1
135.08017	3.0
135.11635	2.9
137.09676	3.1
137.13243	2.8
143.08571	12.6
145.10150	12.3
147.08038	4.6
147.11674	33.0
150.02673	2.2
151.11127	2.4
153.00688	3.0
158.01181	2.2
161.09618	7.9
161.13232	14.6
163.11044	2.9
171.11676	26.8
189.12750	9.6
207.13805	12.9
210.92239	5.0
234.92215	5.4
252.93259	2.7
258.99860	4.1
277.00870	7.7
277.46277	2.2
281.07770	4.0
281.17300	33.6
281.22293	2.8
287.94986	2.4
299.06100	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	20.5
56.05006	3.2
57.07066	4.1
58.06599	37.1
64.82121	2.0
67.05495	6.2
70.06582	5.7
71.03944	2.1
71.58441	4.0
72.04528	12.5
72.08152	4.9
72.73153	2.0
73.06550	75.7
74.02440	49.8
74.89444	1.9
81.03457	2.8
81.07081	4.4
82.02923	7.8
83.19267	2.4
84.08139	27.4
85.02883	4.5
85.06557	13.7
86.09710	5.1
91.05459	3.3
93.07025	3.9
95.04967	2.3
99.05577	18.0
100.03977	18.9
102.09177	100.0
107.08576	4.9
109.10151	3.6
118.05009	22.4
118.08630	12.0
120.08105	9.5
136.07579	3.8
145.06082	12.3
146.04483	36.0
147.21736	2.2
150.12959	2.6
173.05579	4.1
247.12868	2.2
281.15121	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	281.1746
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03940	8.8
55.01865	9.1
55.05505	37.4
56.96551	4.3
57.03436	27.5
57.07072	2.5
65.03940	2.7
67.05501	84.3
69.03435	9.6
69.07059	23.1
71.04992	4.0
71.59241	4.4
75.85503	2.0
79.05486	100.0
81.03407	17.5
81.07048	75.4
83.04974	33.6
83.08617	16.1
85.02872	2.7
85.06515	4.9
87.04479	3.5
91.05473	80.9
93.07040	74.8
95.04966	37.5
95.08600	46.5
95.09166	4.1
97.02868	3.6
97.06533	9.2
97.10172	9.6
98.97569	4.1
102.04691	4.2
103.05447	4.1
105.07014	61.6
107.04964	12.6
107.08582	32.8
109.02856	3.9
109.06506	10.8
109.10117	12.3
111.08084	4.6
115.05438	3.4
116.98632	3.9
117.07012	13.2
119.08577	37.2
121.06518	5.0
121.10114	10.4
123.08089	9.4
123.11712	3.0
125.09627	2.9
127.07585	2.6
128.06250	3.4
129.06984	21.1
131.04887	2.7
131.08582	7.2
133.06442	3.7
133.10139	19.2
134.99695	3.4
135.08032	9.1
135.11697	5.2
137.05983	4.4
143.08545	13.2
145.10118	13.2
147.08051	6.7
147.11678	43.5
159.11674	4.2
161.09581	6.4
161.13223	17.1
169.10086	3.5
171.11674	31.7
181.04967	2.6
189.12750	9.6
207.13817	8.7
210.92146	2.8
237.16245	2.1
245.15598	2.4
263.16321	2.9
273.33209	2.1
277.00845	4.1
281.08060	11.3
281.11023	3.2
281.17249	37.4
281.21814	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	280.2634
Annotation	linoleamide
Peak:m/z	Relative Intensity
53.03939	1.5
54.59284	0.5
55.05510	15.1
56.05038	6.1
56.96545	1.2
57.07079	3.8
58.02953	2.7
60.04520	2.0
65.03940	0.9
67.05505	21.8
68.05041	3.9
68.05842	0.8
69.07068	14.6
70.73529	1.8
71.08623	1.6
72.04514	1.4
79.05052	1.0
79.05489	12.1
80.05029	2.7
81.03422	1.4
81.07056	18.0
82.06578	8.0
83.05004	0.9
83.08610	7.2
84.08138	1.2
85.10175	1.2
86.06059	3.4
88.03992	1.1
91.05469	8.3
93.07037	7.3
94.06564	3.5
95.04975	2.8
95.07368	1.3
95.08604	15.6
96.08125	2.5
96.08800	0.8
97.06551	1.0
97.10163	3.8
98.06020	1.4
100.07623	3.8
105.07016	3.6
107.08589	3.7
108.08102	1.0
109.10155	4.5
111.11715	0.9
112.07650	0.7
114.09158	0.8
116.98631	0.7
119.08575	3.0
121.10130	3.9
122.09674	0.9
123.11736	1.6
133.10118	2.1
134.30815	0.7
135.11682	2.5
137.13211	0.6
140.10728	0.7
149.02296	2.1
149.13263	0.8
150.02664	2.2
154.12221	0.8
161.13272	0.6
169.20949	0.7
172.95204	3.4
188.50735	0.5
190.96294	2.8
192.91145	0.8
210.92220	2.2
228.97701	0.7
234.92247	1.1
245.22757	0.9
250.25301	8.5
252.93356	0.9
255.86255	0.7
262.25281	4.0
280.26346	100.0
281.26718	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.1
56.96551	2.5
57.07077	1.1
60.04498	1.2
65.12855	0.8
67.05486	1.6
69.03409	2.1
70.06586	2.3
70.55962	1.3
70.56309	3.2
72.08144	4.5
72.42630	1.1
73.02943	1.3
79.05471	1.5
81.03417	1.7
81.12225	0.9
83.04951	2.2
84.04488	1.8
84.08125	3.5
85.02908	2.3
87.05582	1.0
88.03975	3.0
91.05461	11.2
93.07042	1.3
95.08595	2.1
97.02892	1.7
98.97594	1.2
105.06980	1.2
105.34298	0.9
108.95940	0.9
116.07069	2.1
116.98644	2.5
118.07516	1.1
119.04909	5.3
120.08107	7.4
122.07065	1.2
131.04979	1.2
136.06088	1.8
136.07584	38.9
137.07896	1.5
146.99657	1.3
163.03845	1.0
166.08630	2.9
228.36969	1.0
235.10866	1.5
250.50667	1.1
263.16602	1.0
266.99716	1.8
281.06329	100.0
281.14658	2.1
281.18762	1.3
282.06668	1.5
283.02979	2.3
299.06259	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	281.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.4
54.03462	4.4
55.01857	8.7
55.05518	8.7
56.05035	18.1
56.96555	13.6
57.03420	10.5
58.06595	23.7
60.04516	6.5
68.05003	4.3
69.03410	10.1
69.07043	7.4
70.02967	4.7
70.06573	13.1
70.10370	16.3
71.04977	11.3
72.04517	22.5
72.08147	25.6
73.02898	12.7
74.02434	85.1
74.06082	25.6
75.06853	20.7
81.07026	4.1
82.02911	13.5
82.06559	11.6
83.03698	11.7
83.04946	16.9
83.06097	4.0
84.04482	19.6
84.08128	26.5
85.02897	11.3
86.06054	9.7
86.09679	6.9
88.03978	12.5
88.07625	32.6
89.08383	5.5
91.05444	3.8
96.04485	24.0
97.02893	3.4
98.06031	9.1
98.97547	11.8
99.05565	14.8
100.03954	22.4
100.07603	26.2
101.02355	5.3
101.06018	3.7
102.05521	17.8
102.09148	19.3
104.07148	4.3
110.06054	5.1
112.07549	4.8
116.07072	7.2
116.98622	8.3
118.05016	39.6
118.08622	32.6
120.08095	25.1
121.08430	11.0
123.09266	4.3
123.83341	3.9
124.07610	5.5
128.07071	30.3
136.07529	10.5
136.08606	5.0
136.09682	100.0
138.05493	8.4
139.08643	10.3
142.08630	5.6
144.10178	10.4
146.04463	40.1
146.08122	36.6
146.62831	3.6
152.07043	32.8
154.08591	9.1
156.08928	3.7
158.99635	5.1
159.05257	5.6
160.09657	5.9
163.07140	15.9
166.08582	7.1
167.08205	3.7
170.08070	4.8
172.09691	7.8
175.08635	4.1
177.00793	5.7
182.03400	4.8
182.08025	4.8
183.11261	6.9
185.09114	6.1
186.07622	19.3
191.03854	8.7
199.10699	6.3
200.04321	7.8
200.09103	18.2
203.10269	9.5
207.02122	4.3
216.08571	4.3
217.11856	16.2
218.10117	9.7
229.11844	5.9
233.11348	5.6
245.11296	14.3
247.12898	13.5
263.12289	25.7
264.10666	19.3
269.16922	3.8
281.13403	44.4
299.06030	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	280.1331
Annotation	Dehydrolirinidine
Peak:m/z	Relative Intensity
55.01855	0.2
56.96554	0.2
59.97317	0.2
70.13702	0.7
71.42152	0.2
81.07029	0.2
86.09706	0.3
98.21317	0.2
109.08035	0.1
132.67053	0.2
165.06970	0.7
170.39317	0.2
177.07008	0.2
178.07753	3.4
179.08556	2.4
189.06941	1.5
190.07761	3.9
191.08543	38.1
192.08948	0.7
193.10135	2.4
201.06963	0.6
202.07748	2.3
203.08546	4.2
205.06454	0.7
206.07210	0.4
207.08066	3.3
218.07237	0.7
219.08041	28.8
220.08430	0.7
221.05991	0.4
221.09587	1.8
223.75032	0.2
229.07613	1.6
231.07964	1.1
232.08864	0.3
233.09549	0.2
234.06764	0.3
237.09041	0.6
247.07649	0.2
249.09094	100.0
250.09384	2.0
251.10698	0.2
263.10681	0.2
280.13309	24.2
281.13599	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1906
Annotation	Alopecuridine
Peak:m/z	Relative Intensity
53.03926	5.0
53.23936	1.1
55.01868	2.2
55.05508	13.3
56.96541	3.5
57.03426	3.2
57.07053	4.2
65.03928	3.4
67.05500	40.3
68.05012	1.9
69.03417	2.9
69.06715	1.5
69.07061	15.5
70.06582	1.9
71.01335	1.1
71.03603	3.2
71.04982	6.0
72.08161	3.1
79.05488	64.8
81.03399	4.5
81.06576	2.0
81.07050	37.2
83.04963	3.2
83.08601	1.8
84.08138	2.5
84.94008	1.2
85.02879	1.6
85.06519	1.8
86.09715	2.1
91.05472	41.5
93.07037	67.1
94.06545	2.3
95.04359	1.7
95.04964	29.5
95.08588	4.8
97.02860	1.7
97.06496	3.0
98.97553	2.6
100.07611	8.0
101.33665	1.2
103.05455	4.5
105.04479	1.3
105.06381	1.9
105.07026	26.2
107.04950	21.8
107.08588	31.1
109.05786	1.9
109.06517	33.3
110.09672	6.9
112.07556	1.7
115.05466	2.9
116.07049	1.8
116.98613	2.3
117.07025	17.1
118.08643	37.7
119.08578	14.9
120.08071	4.3
121.06493	28.9
121.10126	4.4
128.06165	1.4
129.06981	1.5
130.07771	7.7
131.08475	1.8
132.08023	3.1
133.10153	5.6
134.99664	1.4
135.08031	3.1
135.11681	27.5
136.07597	2.5
143.08574	3.3
145.10117	45.8
145.11282	2.4
149.02332	3.7
150.02629	3.4
163.11162	25.8
164.14381	1.6
177.00664	1.1
189.05249	1.4
192.13820	33.7
197.14127	2.1
198.14882	6.5
234.14748	1.5
234.18671	1.9
262.18051	6.7
280.06732	1.3
280.19055	100.0
281.19257	2.5
287.35837	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.70594	0.7
53.03951	1.2
55.05504	8.3
57.07070	1.8
65.03925	3.5
67.05499	100.0
68.05823	0.8
69.03448	0.5
69.07066	8.3
69.64797	2.6
69.65210	1.1
70.80719	0.5
71.04990	0.9
79.05484	11.9
81.07050	94.2
82.07384	0.6
83.04990	1.1
83.08604	4.1
85.06544	1.2
87.13930	0.6
91.05481	2.8
93.07032	8.6
95.04967	0.6
95.08599	67.8
96.08932	0.8
97.06508	1.2
97.10162	3.0
99.08076	0.8
105.07040	3.1
107.08592	5.6
109.10149	37.7
110.10465	0.6
117.07005	0.7
119.08560	2.1
121.10137	3.9
123.08066	1.1
123.11698	26.2
127.07611	0.7
131.08554	2.4
133.10063	2.5
135.08044	0.8
135.11731	2.5
137.09605	0.7
137.13243	8.0
145.10141	1.3
147.11696	1.5
149.02333	5.0
149.09608	1.2
149.13243	2.0
151.14818	2.1
159.11688	2.4
161.13251	1.5
163.11209	0.8
163.14842	1.0
165.12741	0.8
173.13243	2.8
173.66330	0.6
181.12111	0.8
187.14827	1.9
191.14346	1.0
195.13794	1.6
195.59238	0.6
201.16364	0.6
209.15349	2.1
223.16888	2.5
225.65961	0.6
237.18573	1.3
243.21251	1.4
261.22073	3.0
279.23169	30.6
280.23459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1291
Annotation	Phe-Asn
Peak:m/z	Relative Intensity
56.05034	2.9
56.96548	4.0
58.06595	2.2
60.04503	3.5
63.23257	1.9
63.44395	2.1
67.05512	2.4
69.03408	2.7
69.08025	2.1
69.95675	10.1
70.02949	16.0
70.06572	5.5
74.02419	2.9
79.05476	5.4
79.30000	2.2
81.03416	4.2
84.04517	3.0
84.08118	5.7
85.02879	3.6
86.09678	3.0
87.05586	62.0
88.03983	6.1
91.05477	93.0
98.02396	5.1
103.05466	30.6
107.04950	7.1
112.07565	3.2
116.07073	2.9
116.98580	3.4
120.07227	4.7
120.08098	88.6
123.07927	10.4
128.98584	2.3
129.06970	4.0
130.06508	12.7
130.08618	7.3
131.04915	15.3
134.09616	3.3
134.99615	3.7
135.04427	2.3
144.08049	6.1
145.06487	5.2
147.09193	7.0
149.02328	13.6
149.05960	5.9
150.02654	13.7
154.06523	7.2
157.06494	12.8
160.00026	2.4
166.08638	31.2
172.07555	25.2
175.08661	68.2
178.01042	3.6
182.05995	22.9
186.28105	2.3
189.10342	2.5
193.04295	3.2
200.07065	100.0
203.08076	5.1
217.09734	6.2
221.09183	51.3
228.06526	5.9
234.12480	14.4
245.09193	10.6
246.07608	76.0
263.10202	23.7
280.12762	4.9
281.10721	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	279.2318
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03934	0.9
55.01867	0.9
55.05502	7.3
57.07081	1.7
65.03944	3.3
66.94297	0.7
67.05502	100.0
68.05851	1.6
69.07061	8.3
70.03284	3.7
79.05487	12.7
79.50295	0.7
81.07053	97.8
83.04966	0.9
83.08614	4.7
85.06548	1.6
90.18814	0.7
91.05470	3.5
93.07034	10.3
95.04966	0.9
95.08601	70.3
96.08938	1.4
97.10144	2.2
105.07045	3.0
107.08591	7.8
109.06496	1.5
109.10143	21.5
111.08099	1.5
111.18285	0.9
117.07021	2.2
119.08562	3.0
121.10139	5.7
123.08066	1.9
123.11703	12.6
131.08577	5.1
133.10153	1.9
135.08090	1.3
135.11684	6.0
137.09663	0.9
137.13239	9.9
145.10144	2.7
147.11716	1.2
149.02365	1.3
149.09604	2.2
149.13280	3.6
151.14818	2.8
159.11729	3.3
161.13255	1.9
163.11151	1.4
163.14883	1.4
165.12726	1.2
173.13257	6.7
177.12781	2.1
177.16383	1.3
181.12302	1.3
187.14774	2.0
191.14334	2.3
195.13794	1.9
205.15877	0.9
209.15353	2.4
223.16907	2.7
237.18440	0.9
243.21135	1.7
261.22083	2.8
279.23151	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03947	1.5
55.05514	9.3
57.03440	1.1
57.07077	3.7
65.03945	3.2
65.23134	0.5
67.05502	97.5
68.05829	0.7
69.07066	10.5
69.62585	1.8
69.63014	1.8
71.04984	1.5
79.05487	15.4
81.07053	100.0
82.07384	1.0
83.04984	1.5
83.08616	5.3
85.06550	2.0
89.64569	0.5
91.05475	6.0
93.07037	13.4
95.04974	1.1
95.08603	80.7
96.08945	1.1
97.06544	1.4
97.10145	3.6
105.07021	4.2
107.08582	8.7
109.06536	1.4
109.10150	44.6
110.10582	0.7
111.11733	1.2
117.07046	1.8
119.08576	4.6
121.02865	1.1
121.06499	0.5
121.10138	8.0
123.08102	1.4
123.11702	23.2
125.09642	0.8
131.08548	4.8
133.10110	4.1
135.08060	1.1
135.11681	5.4
137.09628	1.4
137.13246	8.2
139.11145	0.7
145.10098	4.1
147.11664	3.7
149.02336	22.9
149.09645	1.2
149.13251	2.5
151.11168	0.8
151.14828	2.4
153.12785	0.5
155.10623	0.6
158.58379	0.5
159.11711	2.0
161.13268	1.9
163.11205	1.9
163.14798	1.7
165.12756	1.2
165.16348	0.7
167.03372	0.7
167.10706	1.1
173.13266	3.1
177.12772	1.4
177.16428	1.2
181.12210	1.5
187.14868	2.8
187.39502	0.5
191.14304	1.7
195.13806	1.9
201.16383	0.7
205.15855	1.4
209.15385	2.7
219.21017	0.9
223.16905	3.6
237.18549	0.7
243.21072	3.2
261.22165	3.6
279.09451	1.3
279.19730	2.8
279.23169	33.8
279.66238	0.5
280.23529	1.4
289.57916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.45136	0.7
52.14485	0.7
53.03945	0.9
55.05506	9.8
56.96559	0.6
57.07067	2.6
60.95845	2.1
61.71314	0.7
63.82003	0.7
65.03945	3.1
67.05502	94.2
68.05828	1.1
69.07066	10.8
70.52394	0.6
71.04993	1.5
79.05491	13.1
81.07053	100.0
82.07398	1.5
83.04976	0.8
83.08620	6.1
85.06535	1.8
86.68229	0.7
91.05482	5.1
93.07040	13.5
95.04977	1.0
95.08603	76.4
96.08958	1.1
97.02888	0.7
97.06515	1.6
97.10163	2.2
102.96879	0.8
104.45951	0.7
105.07009	3.9
107.08583	8.4
109.06494	1.2
109.10152	44.9
110.10498	1.1
111.08108	0.8
111.11712	1.5
117.07013	0.8
119.08556	4.5
121.10132	7.4
123.08084	1.1
123.11704	21.6
123.12571	1.3
127.07561	1.1
131.08551	4.1
133.10144	3.8
134.99446	1.0
135.08078	0.8
135.11723	5.0
137.09636	1.2
137.13226	7.6
145.10146	2.7
147.11703	2.5
149.02287	5.3
149.09595	0.9
149.13271	2.1
151.11169	0.8
151.14827	3.0
153.00528	2.8
158.03271	5.1
158.53453	0.6
159.11702	2.0
161.13266	1.3
163.11214	1.2
163.14883	1.2
165.08926	0.6
165.12817	1.0
165.16406	1.5
169.54100	1.0
171.01563	1.7
173.13260	2.2
175.14716	0.8
176.02310	0.8
177.12764	1.8
179.14421	0.9
180.59674	0.6
181.12280	1.3
187.14867	2.2
191.14334	1.1
195.13857	1.9
201.16396	1.0
205.15891	1.0
209.15373	2.3
223.16928	2.2
237.18581	1.1
243.21156	2.1
261.22141	3.9
278.64218	1.8
279.13428	4.4
279.19934	1.6
279.23181	31.0
280.23529	1.3
297.04794	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2316
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03955	0.9
55.01891	0.7
55.05507	10.4
56.21518	0.4
57.03434	1.4
57.07072	2.9
57.96694	0.4
58.81637	0.5
65.03949	2.3
67.05502	98.0
68.05827	0.9
69.07063	9.7
71.04979	2.3
71.20609	1.0
73.06551	0.5
76.33969	0.4
79.05488	14.1
81.07053	100.0
82.07387	1.3
83.04993	0.8
83.08617	5.8
85.06551	1.7
91.05483	4.7
93.07043	11.9
93.07628	0.8
95.04974	1.1
95.08602	80.7
96.08939	1.4
97.06548	1.9
97.10166	3.4
99.08114	0.7
101.06053	0.6
105.07035	3.7
107.08591	7.8
109.06546	1.2
109.10152	49.2
110.10474	0.9
111.08052	0.5
111.11744	0.9
117.07037	1.5
119.08569	3.6
121.02884	0.4
121.06525	0.4
121.10139	8.4
123.08083	1.2
123.11703	24.9
125.09626	0.6
131.08574	4.0
133.10126	3.1
135.08008	1.0
135.11681	5.1
137.09604	1.2
137.13254	9.3
139.11153	0.6
141.09087	0.5
145.10091	3.3
147.11671	2.7
149.02345	4.4
149.09648	1.4
149.13277	3.2
151.11230	0.6
151.14777	3.3
153.09027	0.6
159.11736	2.5
161.13277	1.9
163.11195	1.8
163.14861	1.7
165.12778	1.8
165.16423	0.7
165.96161	0.4
167.10687	1.2
173.13245	3.6
175.14748	0.7
177.12776	1.6
177.16373	0.9
179.14323	1.2
181.12239	1.6
187.14847	3.0
191.14336	1.0
195.13802	2.5
195.35435	0.4
201.16479	0.6
205.15967	0.7
209.15355	3.2
219.17546	0.5
219.21083	0.8
223.16872	2.8
237.18515	1.4
243.21069	2.8
261.22104	4.1
279.19806	2.2
279.23169	37.8
280.23444	1.0
280.26349	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1705
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
53.03921	0.2
54.76195	0.2
55.05500	0.3
56.35171	0.2
56.96553	0.3
57.07065	1.0
67.05489	0.5
69.03425	0.4
69.07056	0.4
70.06581	0.7
71.04984	0.2
71.32774	0.4
72.55169	0.2
79.05503	0.5
81.03429	0.2
81.07053	0.6
83.04980	0.4
84.04475	0.2
84.08144	0.6
85.02905	0.4
86.09702	11.1
91.05456	1.4
93.07037	2.1
95.04951	0.5
95.08579	0.4
97.02868	0.2
97.06532	0.2
98.97579	1.0
103.05466	6.1
105.07041	0.7
106.91061	0.2
107.04968	0.4
107.08569	0.3
109.06503	0.3
109.10168	0.3
110.97492	0.2
111.04425	0.2
115.05402	0.2
116.98601	1.1
117.06992	0.5
118.06525	0.2
119.04914	0.3
119.08593	0.3
120.08100	100.0
121.02898	0.4
121.06523	0.2
121.08463	1.2
128.98596	0.3
129.07018	0.2
130.04994	0.3
131.04936	0.2
131.08565	0.4
132.10197	1.8
133.06456	0.2
133.10139	0.3
134.09644	0.9
134.99670	1.0
135.08148	0.2
145.06456	0.3
146.99666	0.3
149.02347	6.6
149.07341	0.2
158.99602	0.2
166.08682	0.7
172.98967	0.2
177.00717	0.7
181.04933	0.3
189.00696	0.4
207.01662	0.2
219.08063	0.4
233.16531	1.0
234.11223	0.3
236.04729	0.2
236.08282	0.3
247.07689	0.2
251.10768	0.4
262.10916	0.3
279.06534	0.3
279.10086	0.7
279.13507	0.9
279.17026	3.6
280.10861	0.2
280.15549	0.2
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	Crepenynic acid
Peak:m/z	Relative Intensity
52.11819	2.5
53.00286	2.4
55.01867	2.3
55.05505	18.0
56.05044	2.1
56.96556	7.4
57.03415	3.1
57.07070	16.5
59.00597	2.1
60.61419	2.4
65.03940	2.7
67.05500	88.4
69.03421	7.4
69.07066	16.3
70.06558	2.9
70.93710	2.2
71.04985	4.4
71.08628	21.9
71.59488	2.9
79.05487	21.5
81.03403	3.8
81.07051	100.0
83.04974	7.6
83.08601	12.0
85.06553	3.4
85.10176	16.6
87.99217	2.1
91.05477	18.7
93.07040	17.9
95.04967	3.6
95.08598	67.3
97.06519	6.7
97.10176	2.6
98.97569	12.8
99.08070	15.1
105.07014	13.5
107.08587	15.5
109.06514	3.4
109.10151	27.8
111.04423	2.6
113.09638	23.2
116.98615	15.6
117.06982	3.2
119.08559	6.8
121.02876	4.8
121.10124	11.2
123.08053	2.7
123.11755	9.9
128.98604	7.8
129.05443	3.7
130.09381	2.3
131.08566	6.5
133.06422	2.3
133.10103	12.6
134.99649	14.1
135.08006	4.8
135.11703	8.5
137.13277	6.6
145.10115	4.9
146.99658	7.3
147.11699	16.1
149.02328	78.6
149.09550	2.4
149.13274	6.6
151.11157	3.8
151.14839	4.4
153.00729	3.2
153.12668	3.0
158.99706	5.9
159.11627	3.3
161.13235	2.6
163.11212	3.8
163.14777	3.0
165.12718	6.7
167.03395	2.6
167.14326	3.6
173.13255	5.8
177.00713	15.8
177.13005	2.2
177.16188	2.7
181.15741	2.7
187.14742	2.7
189.00667	8.1
207.01778	5.9
208.09402	2.1
209.15445	3.6
217.78976	2.6
219.05629	5.9
223.16959	4.1
233.22563	3.2
237.02786	4.3
243.21094	3.2
251.11604	3.9
255.03954	2.5
261.22079	10.1
279.09357	7.3
279.12421	2.5
279.20175	2.3
279.23135	58.0
280.23508	4.0
280.26324	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	279.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.05512	34.5
56.05009	1.0
57.07063	2.0
58.06592	0.7
58.99586	19.9
61.01164	0.9
64.66544	0.7
67.05522	1.0
69.03405	0.9
69.07054	0.9
70.06580	2.9
70.10323	1.2
70.10592	3.8
71.04974	0.7
72.04488	0.8
73.01147	1.5
74.02429	1.1
76.02229	5.1
76.03993	3.1
81.03410	1.3
81.07053	1.3
82.06574	1.2
83.04982	1.0
83.08621	28.7
84.04494	1.2
84.08129	2.5
85.01115	0.7
85.02908	0.8
86.06069	4.8
86.09687	2.7
86.99059	13.8
88.02224	4.1
91.05489	1.4
95.04948	0.7
98.97563	1.9
99.05582	0.9
100.07630	1.1
101.03069	0.7
101.09641	1.5
105.07018	1.1
107.04960	0.9
116.01679	55.4
116.98611	1.3
118.05013	1.0
119.04892	1.1
121.02883	1.2
128.98630	1.1
129.07268	1.1
129.10246	1.0
130.05014	1.4
134.99654	0.9
135.04358	0.8
136.07593	0.9
138.09109	0.9
138.66212	0.9
144.01151	29.1
146.04477	1.0
149.02348	19.2
150.09218	0.8
159.08397	6.9
162.02202	100.0
163.03853	1.2
177.00714	1.6
189.00737	1.2
221.08150	1.2
233.05994	1.1
239.98586	0.7
244.10023	0.8
262.11081	19.9
279.08893	2.1
279.13678	2.4
279.17010	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
50.56763	0.9
53.03952	4.8
55.05512	15.0
57.07066	2.5
66.92432	1.2
67.05502	30.3
69.06716	1.1
69.07069	13.4
71.04983	1.5
71.11465	1.4
71.11817	2.1
77.03910	1.3
79.05490	70.1
81.07055	34.1
83.04969	1.6
83.08606	8.5
85.06506	1.4
91.05475	25.1
93.07040	100.0
95.04971	7.4
95.08595	20.5
97.06498	1.3
97.10174	5.1
105.04512	1.1
105.07024	12.0
107.08588	46.0
109.06505	1.8
109.10146	13.9
111.08094	1.2
117.06999	1.9
119.08583	9.5
121.09313	2.2
121.10142	39.8
123.11673	2.9
129.06932	1.3
131.08537	4.0
133.10141	9.6
135.11682	47.4
143.08488	1.1
145.10115	1.8
147.11679	6.5
149.13257	22.7
159.11642	2.7
161.13255	3.6
163.11263	1.4
163.14827	5.4
171.11646	2.2
173.13333	1.2
175.14830	1.7
181.12286	1.1
185.13269	1.7
188.32642	1.0
189.12784	1.4
193.12323	1.1
195.13741	1.6
199.14807	1.4
207.13823	2.0
213.16310	1.6
221.15329	2.2
235.16850	3.4
241.19528	1.9
259.20596	4.7
277.21619	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.4
55.93486	0.7
56.96553	0.6
58.99852	2.2
61.21464	0.5
67.05485	2.1
69.07047	0.9
70.25986	1.9
70.26373	1.0
73.81630	0.5
77.00899	14.0
78.61557	0.5
81.07056	2.9
83.08600	0.8
84.27146	0.5
86.22195	0.6
91.05427	0.7
93.07086	1.4
95.01939	12.7
95.02542	0.8
95.08589	2.4
98.20762	0.6
100.02470	0.6
107.08498	0.8
109.10152	1.1
121.10121	0.9
123.11716	1.5
123.99828	0.6
148.72498	0.5
149.02252	2.7
150.02684	1.4
156.65663	0.5
161.79446	0.6
174.68610	0.6
183.12389	0.8
201.09644	0.7
213.09824	0.8
217.10788	1.3
219.12311	2.3
225.13326	0.8
235.11743	1.5
237.13319	38.8
238.13503	1.0
243.14401	12.6
251.11148	0.8
253.12805	2.8
255.14389	100.0
256.14676	2.5
260.14914	2.2
261.15430	4.4
266.16061	0.7
273.15439	22.9
278.15909	8.2
278.21906	1.0
281.44135	0.6
296.17035	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.8
54.85483	4.8
56.05031	10.7
57.03426	6.9
58.06579	7.9
59.04988	6.4
60.04519	13.4
69.99595	22.9
70.06560	5.7
71.04969	19.5
72.04510	65.4
73.02908	20.0
73.05279	18.3
74.02445	36.3
74.06070	64.0
74.97135	4.5
82.02927	9.1
84.04494	70.0
86.06071	6.1
90.05547	15.9
98.06037	21.0
98.20795	6.5
98.97572	7.3
99.04455	11.4
99.05564	28.0
100.03970	13.5
115.03918	9.3
116.07087	75.9
117.05469	57.7
118.04999	13.9
124.02995	4.7
130.04980	63.5
133.04910	9.5
134.08121	100.0
136.14902	5.0
138.05478	7.8
145.06053	16.1
146.04478	76.7
149.02315	19.3
150.07596	23.3
156.06554	11.3
157.05989	5.7
163.07127	89.5
175.07193	5.6
177.00731	6.5
183.07690	6.1
202.07057	5.5
277.23984	4.8
279.11832	19.5
295.83179	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	279.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.0
54.03473	13.3
55.01868	15.4
55.05497	15.2
56.05036	34.3
56.96555	6.8
60.04528	12.8
67.04230	10.8
68.05021	24.0
69.03442	31.9
69.99915	33.2
70.06592	40.0
71.01360	7.0
72.04513	51.1
74.02442	76.5
80.05025	27.8
81.03422	31.9
82.02940	17.8
82.04199	14.6
82.06579	72.4
83.01332	6.9
84.04490	56.2
85.02914	5.7
86.06057	49.0
88.03963	14.5
96.04488	20.7
97.02816	5.7
98.06059	56.8
98.97569	50.1
99.04475	34.4
99.05571	50.9
100.03968	13.5
100.07624	56.2
102.05556	15.2
106.06571	10.9
110.97566	15.3
111.05563	7.3
114.05532	12.7
116.03507	6.7
116.07095	85.6
116.98581	33.5
117.05482	23.1
118.05018	28.9
122.06047	8.0
128.98615	19.8
130.05000	14.2
134.06036	8.6
134.08110	51.8
134.99673	18.7
141.06557	11.1
142.04982	13.2
145.06163	18.5
146.04468	100.0
146.99658	13.5
149.02325	13.7
150.05511	11.2
152.07079	13.2
157.06073	10.5
158.99667	14.7
159.09143	7.0
163.07144	43.6
170.99623	7.3
174.79175	5.9
175.07175	17.3
176.91237	6.0
177.00719	40.5
180.06660	11.1
189.00717	20.2
198.07645	9.4
205.06456	10.0
205.08197	14.0
207.01776	14.2
222.63141	6.0
229.81145	6.8
243.09760	15.6
261.10730	11.0
262.09137	9.1
279.03384	6.4
279.11859	21.7
298.14896	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	279.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57782	0.7
55.01871	0.8
55.05495	0.8
56.05027	1.5
56.96551	4.4
57.07071	5.0
60.04532	1.1
65.03951	1.1
67.05492	1.5
68.05044	0.8
69.03439	1.6
70.06588	48.3
70.38581	2.2
74.02428	2.6
74.06078	1.0
78.95631	1.3
81.03407	2.3
81.07044	1.4
82.02933	0.8
82.06551	1.2
83.04986	1.4
84.04482	3.0
84.08147	4.3
85.02882	1.5
86.06083	0.8
86.09676	0.8
88.03962	1.2
91.05475	27.9
96.04509	0.8
98.06008	1.0
98.97575	9.4
99.04453	1.1
99.05563	1.2
100.03961	0.9
102.05555	0.8
107.04954	1.6
109.06485	1.4
110.07169	1.3
110.97567	1.3
113.49007	0.7
114.05524	4.7
116.07085	95.1
116.98615	13.1
118.05017	0.8
118.06533	1.1
119.04932	17.9
121.02850	2.5
121.06455	1.2
128.98618	4.0
130.05023	0.9
134.08119	0.9
134.99643	9.8
135.04318	0.9
136.07570	100.0
142.05005	0.8
143.00204	0.8
145.06023	0.7
146.04480	2.9
146.99657	5.8
147.04407	5.7
149.02335	35.1
153.00705	2.4
158.99608	4.4
163.03860	2.4
163.07083	1.4
165.00699	1.2
167.03319	1.3
170.99606	1.3
177.00699	13.5
177.02165	1.2
187.14430	1.6
189.00754	5.6
195.01744	1.7
207.01788	3.8
215.17519	1.6
219.01779	1.3
219.05727	0.9
237.02786	1.5
255.03949	1.6
255.99678	1.1
262.10718	3.6
279.03809	0.7
279.09293	1.2
279.13467	14.1
279.16791	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.8
55.05509	18.2
56.96555	3.9
57.07058	4.3
65.03945	2.1
67.05169	2.3
67.05502	33.1
69.07063	15.6
69.24476	1.5
69.38678	15.0
79.05491	75.8
79.29232	1.4
81.07058	41.2
83.04948	2.1
83.08595	7.0
85.06554	2.4
91.05479	28.9
93.07040	100.0
94.06568	2.1
95.04948	8.6
95.08605	30.8
97.06540	2.8
97.10161	4.6
105.07027	18.4
106.58727	1.5
107.08591	47.1
109.06487	2.4
109.10158	13.0
117.06982	2.7
119.08572	13.2
121.06483	1.5
121.10134	50.8
121.11015	2.5
123.08051	1.9
123.10815	1.5
123.11703	3.7
129.06993	2.1
131.00124	2.2
131.08546	4.9
133.10103	12.1
135.11682	47.7
137.05946	3.8
137.09576	1.8
143.08565	3.2
145.10123	3.3
147.11696	8.8
149.01190	3.8
149.02298	1.7
149.09631	2.6
149.13266	18.8
159.11763	3.8
161.09621	2.2
161.13245	5.1
163.11168	1.8
163.14819	6.8
167.02316	2.5
167.10674	1.7
171.11632	2.5
173.13364	3.9
175.14705	1.8
179.10696	2.7
185.13203	2.4
195.13870	2.0
203.92525	1.7
213.16441	2.2
221.15361	3.1
235.16905	10.1
259.20569	4.0
277.18137	5.7
277.21637	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	277.216
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03930	4.8
55.05509	18.2
56.96555	3.9
57.07058	4.3
65.03945	2.1
67.05169	2.3
67.05502	33.1
69.07063	15.6
69.24476	1.5
69.38678	15.0
79.05491	75.8
79.29232	1.4
81.07058	41.2
83.04948	2.1
83.08595	7.0
85.06554	2.4
91.05479	28.9
93.07040	100.0
94.06568	2.1
95.04948	8.6
95.08605	30.8
97.06540	2.8
97.10161	4.6
105.07027	18.4
106.58727	1.5
107.08591	47.1
109.06487	2.4
109.10158	13.0
117.06982	2.7
119.08572	13.2
121.06483	1.5
121.10134	50.8
121.11015	2.5
123.08051	1.9
123.10815	1.5
123.11703	3.7
129.06993	2.1
131.00124	2.2
131.08546	4.9
133.10103	12.1
135.11682	47.7
137.05946	3.8
137.09576	1.8
143.08565	3.2
145.10123	3.3
147.11696	8.8
149.01190	3.8
149.02298	1.7
149.09631	2.6
149.13266	18.8
159.11763	3.8
161.09621	2.2
161.13245	5.1
163.11168	1.8
163.14819	6.8
167.02316	2.5
167.10674	1.7
171.11632	2.5
173.13364	3.9
175.14705	1.8
179.10696	2.7
185.13203	2.4
195.13870	2.0
203.92525	1.7
213.16441	2.2
221.15361	3.1
235.16905	10.1
259.20569	4.0
277.18137	5.7
277.21637	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	277.2161
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03939	5.4
55.01847	1.1
55.05511	14.7
55.64060	1.3
57.07045	2.8
65.03934	2.9
67.05504	32.9
68.65798	1.2
69.07066	15.3
70.77853	3.0
71.04992	2.3
77.03957	1.6
77.40595	1.4
79.05492	72.3
81.06579	1.9
81.07052	36.5
83.04970	1.8
83.08602	7.3
91.05477	25.5
91.74880	1.2
93.07042	100.0
95.04974	6.8
95.08606	24.8
97.06474	2.4
97.10173	2.7
105.07018	12.3
107.08593	53.9
107.16158	1.5
109.06467	2.0
109.10140	16.3
117.06995	3.5
119.08588	8.3
121.10137	41.8
123.11704	2.8
127.15179	1.3
131.08551	4.1
133.10117	11.8
135.11687	62.6
141.73837	1.2
143.08527	2.0
145.10114	2.7
147.11670	8.4
149.09598	2.2
149.13268	27.1
159.11650	3.9
161.13214	4.5
163.14851	7.6
171.11734	3.0
172.83826	1.2
173.13255	2.7
175.14868	2.1
177.12675	1.7
185.13217	2.9
185.22261	1.3
189.12733	1.6
195.13687	1.3
207.13771	2.4
209.45729	1.3
221.15346	3.5
235.16914	2.5
259.20560	4.1
277.21609	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	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03930	4.6
55.05509	18.6
56.96568	6.5
57.07069	22.6
57.07294	3.9
67.05495	53.5
69.07068	25.0
71.04987	5.6
71.08620	17.9
71.17124	9.8
79.05494	48.7
81.03410	9.2
81.07042	53.7
83.04948	3.5
83.08599	9.5
85.02898	6.5
85.06521	6.3
91.05457	26.9
93.07038	71.0
95.04959	32.3
95.08600	32.9
97.06483	5.5
98.09711	3.2
98.97551	4.3
99.08070	12.3
105.07021	25.5
107.04929	6.7
107.08589	41.3
109.06507	7.3
109.10162	16.4
109.69801	3.7
111.08090	3.7
117.07009	8.4
119.08598	18.7
121.00505	3.7
121.06507	10.0
121.10127	27.9
123.11633	5.7
129.07010	5.5
131.08548	9.4
133.10147	19.9
135.08058	4.4
135.11664	22.8
135.74782	3.7
143.08533	6.6
145.10077	8.8
147.08044	3.7
147.11659	14.2
148.64212	3.4
149.02359	7.5
149.09555	3.6
149.13240	15.7
151.11174	13.4
157.10103	5.0
159.11646	7.0
161.09561	11.0
161.13246	7.4
163.03894	3.9
163.11148	9.7
163.14777	3.9
165.12724	5.1
171.11763	4.2
173.13287	4.8
175.11200	3.6
175.14792	6.1
179.10652	6.9
185.13232	5.0
186.13747	3.4
191.07083	3.3
193.12119	4.3
199.14893	4.0
235.13243	4.7
235.16869	30.4
241.19514	6.7
259.20511	9.6
263.55789	3.6
266.45526	3.8
277.17999	47.5
277.21597	100.0
277.57224	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	277.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32558	0.6
53.03947	0.9
55.01868	10.2
55.05511	7.1
56.96560	3.2
57.07071	5.5
57.66347	0.6
58.07409	2.0
65.03932	0.6
67.05499	10.7
67.13535	0.6
69.07068	6.4
70.06583	4.0
70.34920	1.9
71.04986	0.8
71.06924	1.9
71.08623	1.4
72.08939	0.8
79.05489	18.9
80.05815	0.9
81.03395	0.8
81.07053	42.0
82.07370	0.7
83.04967	2.5
83.08614	2.6
85.02949	0.7
88.07614	3.7
89.07955	2.7
90.08052	1.8
91.05476	7.3
93.07035	18.2
95.04961	2.3
95.08601	9.6
97.06526	2.3
98.97592	4.1
102.09161	0.8
103.09505	0.7
104.09637	0.8
105.07008	5.4
106.07346	0.7
107.04917	1.1
107.08559	10.5
108.09058	1.9
109.06513	14.1
109.09427	1.0
109.10143	4.5
111.04430	10.4
111.76389	0.6
116.98614	4.2
117.07034	1.1
119.08589	5.7
121.10134	10.0
121.69299	0.6
122.10455	0.7
123.08057	1.3
123.11681	1.0
125.05976	3.6
129.07021	1.0
131.00145	1.6
131.08572	2.3
133.10117	5.4
134.99664	2.5
135.08061	3.2
135.11694	9.7
137.05968	100.0
137.13268	1.3
138.06332	1.3
143.08562	2.4
145.10104	2.0
147.08032	1.5
147.11694	5.7
149.01212	2.4
149.02258	0.8
149.09653	2.8
149.13222	3.2
151.07501	2.5
151.11125	0.7
157.10135	1.7
158.99654	1.4
159.11703	1.2
161.09613	4.6
161.13300	2.1
163.11165	2.9
163.14836	1.7
165.09094	1.5
165.12642	0.7
167.10612	0.9
171.11653	1.1
171.50853	0.6
173.13210	0.7
175.11108	3.0
175.14796	0.7
177.00697	3.4
177.12732	1.2
178.01166	0.7
179.10701	2.0
181.12225	1.0
181.38559	0.6
189.12753	1.0
193.12224	0.8
198.52792	0.6
203.17926	4.2
213.16405	2.1
221.19006	1.5
231.17387	6.1
235.16856	2.4
249.18562	3.2
259.16876	0.9
259.27271	2.9
277.08371	1.3
277.17996	8.0
277.21567	9.9
277.28268	57.3
295.18976	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.1
55.05513	1.2
56.05020	2.2
56.96560	6.6
57.07059	5.1
61.02913	1.2
67.05491	1.4
68.04993	1.8
69.03425	4.1
69.07057	2.4
69.72056	2.7
69.72476	5.0
70.06590	3.3
72.04492	1.8
72.08153	7.9
73.02907	3.8
74.02420	3.8
79.05470	2.0
79.09242	1.0
79.44611	1.1
80.05001	2.4
81.03396	3.9
82.02942	2.3
82.06581	1.3
83.01328	5.1
84.04489	8.0
84.08111	4.5
85.02895	6.2
85.04816	1.8
85.54754	1.1
86.09687	2.9
88.02190	3.8
89.03873	1.8
91.05466	5.6
95.04993	1.9
95.08595	1.7
98.21446	2.6
99.05558	2.5
100.03944	6.5
101.02386	2.7
102.05531	3.7
103.05452	4.1
105.07020	3.7
107.04927	1.8
110.07117	1.8
114.05530	2.2
114.10252	1.5
115.05451	34.0
117.03364	1.6
117.05762	9.1
117.06989	6.7
118.05017	2.7
118.06551	2.2
119.04913	1.6
119.08601	1.6
120.08084	7.2
121.06463	1.6
122.06013	1.2
122.92310	1.2
123.04443	1.3
127.03889	2.0
128.06212	1.6
129.06984	2.7
130.04956	3.0
130.06488	6.1
131.04919	1.6
131.07335	5.8
131.08421	1.2
132.08081	60.1
132.10187	3.2
133.06425	1.2
133.08397	1.7
135.04378	1.6
137.75577	1.4
141.06961	3.7
143.07281	2.9
143.08516	2.5
144.08063	9.3
145.06360	1.3
146.04477	17.5
146.05882	5.7
147.04425	5.3
149.02257	1.5
152.06120	2.0
153.06966	5.0
154.06479	2.5
155.07286	3.1
156.08072	2.4
157.08842	2.9
158.09604	7.7
160.07550	4.3
163.03891	7.0
163.07201	1.3
167.07309	3.4
168.08066	12.9
169.08907	3.1
170.08159	2.5
170.09607	12.2
174.05545	2.5
179.10548	1.9
186.09094	6.6
188.07080	5.2
189.07408	4.2
190.08601	1.5
191.04834	3.2
193.04938	1.4
196.07573	7.5
198.97128	1.2
206.10039	1.9
207.95688	1.4
208.06041	4.0
213.10190	2.0
214.06674	2.5
214.08624	34.6
231.11261	2.2
232.09685	35.1
235.16856	7.9
241.04913	2.3
249.02895	1.7
249.05389	2.4
259.05875	7.5
259.10693	3.8
260.09164	53.4
277.11819	100.0
277.18140	6.8
278.12103	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90042	3.7
55.01863	11.8
56.05018	12.7
57.03437	6.6
57.15497	4.0
57.15767	4.1
60.04509	12.4
67.05502	5.7
68.05036	20.2
69.03425	35.6
69.05801	10.1
69.07060	42.5
70.06582	10.4
71.01326	5.1
71.58994	6.1
72.04509	37.1
72.08169	5.1
73.02882	4.2
74.02439	83.5
79.05485	17.3
81.03408	29.2
82.02937	30.1
82.06567	12.6
83.04967	5.1
84.04505	44.6
84.08132	17.5
85.02901	14.1
85.20049	3.5
86.06062	42.0
88.02229	28.2
88.03940	6.0
92.59377	3.5
94.06546	13.1
95.04958	10.8
96.04481	36.1
96.08131	24.0
97.02874	8.4
97.05272	16.1
97.06525	42.1
98.06031	18.2
99.05579	81.6
100.03968	42.6
100.07568	5.0
102.05537	4.7
112.07600	5.4
114.05543	39.1
114.09171	35.8
115.03152	6.4
115.03924	74.5
116.35047	3.5
117.06610	9.6
118.05008	30.8
119.42098	3.7
119.89669	4.0
122.05923	5.1
128.03496	5.1
130.04997	6.9
130.50870	4.2
132.06549	65.6
132.10179	21.0
138.10577	4.0
145.06059	41.5
146.04488	100.0
151.19255	4.1
156.04781	5.8
163.07137	44.9
168.06471	5.6
170.08148	4.0
174.05782	18.8
175.45113	3.9
176.08174	7.7
178.08583	5.4
186.72948	4.4
191.04872	25.1
195.11333	7.6
241.11803	7.0
242.10268	4.9
259.09729	5.5
259.12909	17.3
277.10071	9.2
277.14117	6.2
293.71307	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	277.0318
Annotation	selenoneine
Peak:m/z	Relative Intensity
70.30280	100.0
84.08110	24.4
112.94127	26.1
135.97600	25.4
159.37408	30.8
206.22585	29.1
277.03189	85.0
277.08960	30.9
283.97543	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	277.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03448	3.6
55.05506	3.7
56.05019	5.3
57.98499	2.4
58.49067	2.2
65.64758	2.2
68.05009	5.7
68.50816	2.4
69.03416	10.5
70.06581	4.1
71.01331	8.0
71.16200	2.3
71.16554	6.5
72.04510	100.0
74.02033	4.0
74.02435	70.8
74.06062	8.3
81.03426	4.6
82.02949	12.6
84.04028	4.3
84.04496	48.5
85.02892	3.7
86.06052	11.3
87.85003	2.3
88.03947	5.9
88.46793	2.6
90.05534	4.7
96.04490	18.1
97.02867	6.9
98.03692	6.4
98.06054	34.7
99.05568	37.2
100.03974	28.3
114.05521	47.1
115.03162	4.6
115.03920	60.4
117.06610	3.4
118.04996	31.5
120.08099	4.7
121.42579	2.8
128.03413	10.0
130.04961	9.4
132.06546	41.0
133.04973	2.9
138.05487	3.4
143.97409	9.1
145.06067	26.6
146.04469	94.3
150.05484	2.5
154.05011	4.1
161.05582	5.2
163.07111	26.2
173.05562	5.8
188.99583	11.1
196.06108	2.9
199.07071	4.6
216.99045	4.8
235.17111	3.2
241.08157	4.8
259.09280	5.1
260.07608	7.6
277.10294	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37018	2.4
56.28883	2.2
56.96538	12.1
57.07045	3.5
58.24839	2.3
69.65328	19.9
70.95824	5.0
76.18668	2.9
81.03365	4.3
98.97579	66.9
101.00879	6.2
115.02393	3.5
116.98618	76.8
119.01911	38.0
121.01650	4.5
131.01891	4.1
133.03421	5.6
134.99661	61.8
136.50807	2.8
137.02930	18.3
142.03452	3.3
143.01785	5.7
145.03458	5.0
151.04422	3.0
153.00656	10.5
157.03455	14.1
160.02124	2.7
161.02975	28.0
163.03835	7.3
169.35797	2.5
175.04518	18.6
177.00949	15.5
179.00661	4.9
179.03917	3.5
185.02866	9.3
203.03868	7.9
205.02284	4.1
210.95750	4.4
217.05478	3.0
219.02014	42.1
220.02095	6.8
221.01721	8.4
234.95706	6.1
235.16910	14.2
236.99457	5.2
240.98663	3.9
245.04987	5.8
250.99075	10.2
251.49123	6.0
252.96652	7.8
258.11850	3.6
258.96851	4.7
258.99701	43.6
261.02954	5.6
262.03149	2.6
263.02774	4.0
276.97009	13.0
277.00671	100.0
277.07614	22.9
277.12500	2.8
277.17841	10.9
278.01038	4.4
294.97849	8.2
295.08755	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	12.2
56.05031	12.1
56.96556	6.6
59.71470	5.4
60.04519	11.9
67.05517	13.6
68.05017	26.1
68.75787	5.3
69.03136	5.8
69.03429	69.8
69.07066	78.9
70.06561	6.7
71.01321	6.3
71.20099	13.4
72.04198	5.7
72.04515	58.7
73.02899	7.9
74.02438	100.0
76.02211	12.5
76.03989	12.9
79.05503	27.5
80.04994	12.1
81.03410	37.4
82.02930	29.4
82.06551	21.3
83.01344	8.5
83.04977	8.7
84.04503	58.2
84.08125	25.3
85.02893	16.3
86.06062	24.7
88.02220	75.7
88.03964	17.8
90.03749	7.1
94.06558	15.0
95.04957	18.0
96.04491	70.0
96.08124	41.4
97.02865	12.1
97.06525	92.8
98.06051	7.8
99.05582	96.2
100.03971	33.8
100.07615	7.4
102.05537	9.8
112.07580	9.8
114.05528	46.8
114.09166	36.8
115.03918	25.4
117.06661	7.2
118.05018	34.2
119.01907	8.4
127.02135	21.3
128.03421	11.2
130.04971	19.9
132.06570	31.6
132.10181	29.5
137.03053	6.4
142.40671	5.3
145.03438	6.4
145.06076	96.9
146.04466	86.9
152.07001	6.8
156.04828	12.7
161.02940	9.6
163.07127	17.3
173.02745	6.0
174.02206	13.9
174.05827	66.9
177.03300	7.9
178.08591	6.8
191.04880	74.4
195.11304	11.2
211.07062	7.6
225.42528	6.4
241.11867	12.5
242.10182	11.0
247.91237	6.0
259.07358	15.0
259.12933	14.3
260.07773	6.9
277.03134	16.3
277.07840	17.1
277.10397	19.2
277.13864	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	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.00096	1.0
52.57081	1.0
53.03933	2.9
55.01862	1.2
55.05511	16.3
56.39581	1.0
57.03422	1.9
57.07058	2.6
65.03910	1.8
67.05165	1.9
67.05501	24.9
69.07067	10.0
70.85713	2.6
71.04981	2.9
79.05057	1.8
79.05490	30.2
79.46465	1.0
81.07053	20.0
83.04971	2.5
83.08616	4.0
85.06487	1.8
91.05477	53.3
93.06467	1.4
93.07043	23.6
93.24437	1.0
95.04964	4.2
95.08604	13.2
97.06498	1.1
97.10146	1.3
103.05445	1.7
105.07029	64.5
106.07411	1.2
107.04935	2.9
107.08591	12.1
109.06534	1.8
109.10160	8.4
115.05436	2.5
117.07003	15.9
119.08574	47.6
121.06512	2.6
121.10136	9.6
123.08121	1.9
123.11721	1.9
129.06998	3.0
131.08565	20.5
132.05717	1.1
133.06476	1.9
133.10123	46.6
135.08046	3.1
135.11702	5.1
135.98167	1.0
137.09592	1.8
139.98820	1.0
142.07707	1.0
143.08559	1.7
145.10118	14.7
147.07986	1.5
147.11681	27.5
149.09624	6.8
149.13275	1.3
155.08614	2.7
157.10149	2.7
159.11679	11.4
161.09633	1.7
161.13235	9.0
163.11160	1.5
163.14690	1.2
165.09082	1.1
169.10017	1.7
171.11723	3.5
173.13297	11.8
174.08769	1.2
175.14822	1.2
183.11623	1.5
185.13310	1.6
187.11200	2.3
187.14771	2.5
189.12749	1.4
197.13222	4.0
229.19475	2.9
233.15501	1.0
239.17906	2.2
242.39284	1.2
247.20660	4.9
257.19067	7.5
275.20056	100.0
276.20407	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.01846	5.9
55.05510	21.8
57.03412	1.8
57.07065	2.6
62.41424	1.5
67.05170	2.2
67.05500	31.7
69.07064	10.2
71.04989	4.0
77.18172	1.9
79.05489	37.5
81.03396	2.4
81.07046	26.6
83.04957	2.3
83.08628	7.5
85.06479	1.8
91.05470	42.0
93.07038	28.6
95.04944	3.2
95.08596	13.0
97.06528	4.9
97.10125	4.0
103.05450	1.6
105.07026	64.8
107.04302	1.8
107.04959	20.4
107.08583	26.2
109.06532	4.1
109.10150	11.4
111.08086	2.5
117.07018	13.7
119.08582	35.6
121.06551	1.6
121.10099	9.0
123.11710	2.2
125.09614	3.6
125.53138	1.4
129.07008	3.2
131.08549	14.9
133.10124	35.3
135.08054	5.0
135.11674	3.6
137.09573	2.5
143.08504	3.9
145.10086	13.9
147.11691	26.1
147.23015	1.4
149.09604	35.4
151.11217	2.1
157.10138	3.1
159.11674	10.5
161.13242	5.4
163.11177	2.2
169.10092	1.6
171.11621	3.7
173.11717	1.9
173.13271	4.5
177.12697	1.8
185.13081	2.0
197.13295	2.1
203.14426	2.1
215.17921	3.0
219.17432	5.6
229.19435	7.9
239.17940	3.1
247.20441	2.0
257.19003	16.7
257.26547	1.8
275.20047	100.0
275.27780	6.0
276.20288	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
52.84225	0.6
53.03933	1.9
55.01868	4.4
55.05510	26.0
57.03416	1.3
57.07063	1.6
65.03923	2.0
67.05502	35.8
69.03407	1.2
69.06731	0.7
69.07069	9.7
71.04985	2.9
71.17313	1.7
73.06544	0.9
79.05491	48.3
81.03397	0.8
81.07056	24.5
83.04959	2.7
83.08611	6.3
85.06525	1.4
91.05478	43.1
93.07041	28.3
95.04979	5.4
95.08600	9.0
97.06521	1.6
97.10193	3.5
102.16174	0.7
103.05460	2.0
105.07026	52.8
107.04953	26.9
107.07857	1.4
107.08588	28.3
109.06488	2.9
109.09451	1.1
109.10148	15.7
111.08094	1.2
115.05434	2.0
116.06107	0.8
117.07007	13.5
119.08579	32.4
120.08871	0.7
121.06490	2.8
121.10132	11.5
123.08103	1.2
123.11701	2.6
125.09618	4.9
129.06998	2.6
130.10802	0.8
131.07596	1.0
131.08571	16.3
133.06499	1.6
133.10129	30.7
135.08046	5.5
135.11682	3.0
137.09593	1.5
141.06964	0.9
143.08553	2.4
145.10118	16.0
147.08038	1.4
147.11688	22.2
149.09621	45.7
149.13200	2.1
153.09140	1.4
153.18488	0.7
155.08649	1.4
157.10143	2.8
159.08069	1.4
159.11673	11.3
161.09656	0.8
161.13261	8.3
163.11118	2.5
169.10129	1.6
169.12206	2.5
171.10301	1.3
171.11667	3.2
173.09656	0.9
173.11720	4.0
173.13274	5.9
177.12823	1.3
183.11720	1.9
185.13258	1.3
187.11163	3.2
187.13217	2.0
187.14760	1.6
189.12590	0.8
191.10551	0.8
193.12210	1.0
197.13252	2.3
201.12718	1.1
211.14827	1.0
215.17978	2.0
219.17511	0.7
229.19511	6.6
233.15375	1.5
239.17894	3.1
247.20529	2.4
257.19006	17.4
275.20053	100.0
276.20322	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.02363	0.9
53.03933	1.5
54.51300	0.5
55.01851	2.4
55.05262	1.0
55.05508	13.9
57.03431	1.0
57.07055	1.6
59.05000	0.9
65.03921	1.3
67.05499	17.4
68.65314	0.5
69.07063	8.4
69.62315	4.4
70.06557	0.7
71.04971	1.9
71.08598	0.6
73.80501	0.6
79.05485	17.9
81.07051	15.8
83.04951	2.2
83.08607	4.7
85.06535	1.5
88.07600	1.1
91.05476	41.0
93.07037	15.9
95.04967	2.8
95.08602	10.9
97.06519	2.6
97.10134	2.1
98.20739	1.2
102.87016	0.6
103.05453	2.2
104.06232	0.8
105.07024	65.9
106.08618	1.0
107.04958	2.9
107.08578	12.1
109.06504	2.4
109.10147	4.3
111.08073	0.8
113.68175	0.6
115.05420	0.9
117.07008	10.7
119.08575	37.3
119.15492	0.7
121.06499	2.3
121.10131	4.0
123.08051	1.9
123.11689	1.2
125.09616	1.3
127.16821	0.6
129.06981	2.3
131.08559	14.9
133.06470	0.8
133.10121	41.3
134.10460	0.8
135.07974	1.6
135.11679	2.3
141.06952	0.8
143.08542	3.2
143.24496	0.6
145.10117	18.4
146.10809	0.7
147.11681	26.7
149.09572	4.4
149.13245	1.3
155.08537	1.9
157.10103	3.0
159.11708	8.6
161.09621	1.1
161.13251	4.5
163.11169	1.7
169.10097	1.4
171.11684	3.3
173.13249	4.5
175.11156	1.1
175.14767	0.9
177.12686	1.3
183.11682	1.7
185.13258	1.2
187.11205	0.9
187.14806	0.9
189.12790	0.9
197.13226	2.1
201.12770	1.0
206.99976	0.8
211.14865	0.8
213.16379	1.1
215.14389	1.2
217.02487	0.7
229.15897	1.1
229.19507	1.4
233.15259	0.9
239.17972	3.8
247.20705	0.9
252.04633	0.7
257.18988	9.7
263.01996	0.6
263.33054	0.7
266.99500	0.6
275.20044	100.0
275.27753	10.2
276.20255	2.9
284.94739	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03940	1.2
55.01863	4.1
55.05508	11.6
57.03443	1.4
67.05494	21.2
69.07056	8.9
70.12624	5.6
71.04978	1.8
72.81387	1.2
72.86802	1.3
73.28888	1.1
78.35931	1.1
79.05070	1.5
79.05493	21.2
81.07049	27.1
83.04972	3.8
83.08607	5.7
84.69451	1.3
91.05477	38.1
93.07040	21.5
93.54559	1.2
95.04945	5.0
95.08598	14.7
97.06517	4.4
97.10159	2.5
105.07025	49.5
107.04919	4.7
107.08585	14.9
109.06512	5.6
109.10123	6.0
111.08059	2.3
117.06984	9.9
119.08574	30.5
120.68564	1.1
121.06501	3.3
121.10125	9.8
123.08036	3.4
123.11702	3.0
129.06992	3.2
131.08572	12.7
133.10124	33.3
135.08002	4.3
135.11696	4.3
137.09616	4.5
143.08530	2.4
145.10115	11.7
147.07970	1.5
147.11676	21.2
149.09625	5.0
149.13246	1.7
151.11124	4.0
155.08600	1.4
157.10109	2.0
159.11676	9.2
161.09584	1.8
161.13251	6.3
163.11192	6.4
165.12704	2.6
169.10120	2.5
171.11682	3.2
173.13231	4.2
175.11168	2.1
175.14793	1.8
177.12778	2.6
183.11674	1.6
187.14725	1.7
197.13213	3.3
202.56123	1.2
211.14790	1.8
229.19551	5.6
239.17982	8.4
243.81381	1.3
247.20520	2.9
257.18988	13.4
272.38361	1.4
275.20053	100.0
276.20337	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03931	1.8
53.92661	0.6
55.01875	3.2
55.05258	0.8
55.05510	12.1
56.96530	0.7
57.03436	1.3
57.07066	1.7
65.03931	1.2
67.05165	1.0
67.05505	15.7
69.07067	9.7
70.11854	2.4
71.04977	2.5
71.08619	0.7
79.05054	1.1
79.05494	17.8
81.03413	0.8
81.07053	17.7
83.04959	2.5
83.08619	4.9
85.06546	0.8
88.07638	1.4
91.05481	38.9
93.07042	17.1
95.04993	3.4
95.08610	11.2
97.06506	2.5
97.10143	1.8
98.20759	0.7
98.36208	0.6
103.05453	1.4
105.07030	54.8
106.07414	1.0
107.04923	2.0
107.08591	12.4
109.06468	3.2
109.10155	5.3
111.08087	1.5
115.05453	1.4
116.98588	1.2
117.07014	11.2
118.07772	0.8
119.08579	34.2
121.06517	2.9
121.10144	7.8
123.08081	1.4
123.11719	1.5
129.06998	2.7
131.08566	13.1
133.06456	0.6
133.10135	34.9
134.99652	0.7
135.08052	3.1
135.11642	3.5
137.09592	1.7
141.06992	1.3
143.08548	2.6
145.10117	12.8
146.10938	0.6
147.08043	1.0
147.11681	23.2
149.09634	4.5
149.13281	1.4
151.11259	0.9
155.08556	1.0
157.10124	2.9
159.08075	0.9
159.11684	8.0
161.09613	1.7
161.13243	7.3
163.11133	3.4
165.09137	1.6
169.10156	1.4
171.11690	2.5
173.09648	1.1
173.13251	4.8
175.11227	1.2
175.14844	1.3
183.11705	2.3
185.13287	1.9
187.11201	1.3
187.14731	1.6
197.13257	2.2
215.14398	0.8
215.18021	1.2
219.13806	0.9
229.16051	0.8
229.19514	1.8
233.15392	1.2
233.19020	0.8
239.17734	3.0
240.68628	0.7
247.20633	2.1
257.19019	7.2
275.20062	100.0
275.27869	2.0
276.20319	2.2
276.25336	1.3
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	Cinmethylin
Peak:m/z	Relative Intensity
51.02370	1.9
53.03946	2.3
55.01857	1.6
55.05510	13.6
56.96551	1.6
57.08235	1.1
63.68519	1.2
67.05499	15.9
69.07054	7.9
71.04964	4.3
73.25140	1.1
76.77272	1.1
79.05492	17.5
79.36530	0.9
81.07062	16.7
83.08622	4.3
91.05477	44.7
93.07045	16.2
95.04974	2.4
95.08609	13.8
97.10165	1.9
105.07028	64.8
107.04966	1.6
107.08591	12.1
109.06507	1.8
109.10156	3.4
115.05407	1.3
117.07021	10.0
119.08568	31.1
121.06493	2.3
121.10113	5.3
123.11676	1.8
125.09639	1.3
129.06998	3.1
131.08563	14.5
133.06447	1.3
133.10123	42.4
135.08078	2.0
135.11679	3.1
137.09604	1.5
143.08539	2.4
145.10132	16.0
147.11682	23.0
149.09625	7.4
150.78447	1.2
155.08536	1.4
157.10117	3.3
159.11685	8.4
161.13289	5.2
163.11221	2.9
169.10114	1.6
171.11618	2.4
173.13261	3.6
175.14755	1.1
178.18329	1.3
183.11656	2.5
185.13239	1.8
215.14357	1.3
225.19563	1.1
232.08609	1.1
239.17935	4.5
257.19052	8.1
275.20050	100.0
275.27780	7.9
276.20258	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54942	0.6
55.05505	0.7
56.96552	1.1
60.04529	0.8
60.59650	0.6
69.03407	1.3
69.07054	0.9
70.02958	0.6
70.06579	1.0
71.22066	0.9
71.22408	1.0
72.04520	0.7
80.05009	0.6
81.03421	1.3
81.28355	0.6
82.06544	0.7
84.04493	2.7
84.08138	3.0
86.09691	1.4
88.03992	0.6
95.06092	0.6
97.06494	0.8
98.04758	0.6
106.06560	1.3
107.04923	0.7
112.03973	1.0
113.07098	0.7
115.02144	0.7
116.07047	0.7
130.04936	0.9
134.99606	0.9
145.03416	0.6
146.04453	0.9
152.03206	4.4
153.01630	0.6
169.03362	0.8
169.74403	0.6
173.06564	0.9
179.38554	0.7
203.07564	0.7
257.02643	11.9
275.03821	9.3
275.10992	100.0
276.11453	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.2
55.05518	0.3
56.05040	2.3
56.31771	0.2
57.03442	0.3
57.05821	0.3
59.04993	0.4
67.05495	0.9
69.03446	0.3
69.07069	11.1
71.13784	0.4
73.06564	0.6
84.04505	39.4
84.08128	0.3
85.02895	0.5
86.09705	100.0
87.08088	0.4
87.10036	0.7
91.05486	0.3
96.04513	0.2
97.06517	0.2
98.06122	0.3
101.05998	0.2
102.05548	1.0
103.42562	0.2
105.07042	0.2
109.10134	0.6
116.07074	0.3
116.98613	0.2
119.08611	0.3
120.25522	0.2
124.70706	0.2
129.09158	0.5
130.05005	7.6
130.39470	0.3
131.04916	0.3
141.07025	0.3
142.05005	0.3
146.11760	47.0
147.04495	0.2
147.12054	0.4
151.12277	0.3
152.10715	1.1
169.06459	0.3
173.11723	0.4
184.13319	3.8
187.03876	0.8
197.12833	0.5
198.11235	2.9
212.12796	4.0
215.07018	0.2
221.83302	0.2
229.15424	0.4
232.54561	0.2
243.13449	0.6
257.08423	0.3
257.15036	0.5
258.13354	6.6
275.05746	0.3
275.09085	0.3
275.16064	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	275.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01860	2.0
55.05512	15.7
57.03430	3.2
59.36013	1.3
65.03944	2.0
67.05503	22.2
69.07063	11.5
71.04986	4.3
71.30516	2.7
79.05127	1.7
79.05493	19.6
81.03410	2.5
81.07051	22.7
83.04958	2.8
83.08600	4.5
88.07630	2.3
91.05480	39.0
93.07037	23.4
95.04946	5.0
95.08602	14.9
96.08855	1.4
97.06520	2.8
97.10185	1.8
99.08094	1.6
103.05457	1.8
105.07032	49.7
107.04933	4.8
107.08569	13.1
109.06499	7.8
109.10136	5.6
111.08078	2.2
117.07005	10.0
119.08575	32.3
121.06500	4.5
121.10147	11.3
123.08085	4.7
129.06978	3.3
129.99681	1.4
131.08549	12.2
133.10129	31.3
135.08043	5.0
135.11658	4.1
137.09583	1.6
143.08575	3.3
145.06413	2.1
145.10135	16.7
147.08038	2.4
147.11688	20.1
149.09601	6.0
151.11212	2.0
155.08565	2.3
157.10109	6.1
159.11684	13.1
161.09578	1.8
161.13278	6.9
163.11171	4.9
171.11652	3.0
173.13231	9.4
175.11151	4.6
175.14833	2.1
177.12686	1.9
183.11691	3.3
185.13258	3.1
191.14262	1.8
197.80688	1.7
199.14803	3.6
201.12746	3.7
203.14325	2.7
239.17946	5.5
244.23665	1.6
247.20502	2.4
257.19034	7.4
271.69330	1.5
275.20050	100.0
275.27753	18.8
276.20294	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	275.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41986	0.8
56.05048	2.3
56.96561	5.6
57.03404	1.0
57.63071	0.8
67.05505	1.2
68.05025	1.3
69.03413	3.0
70.06581	2.6
70.98122	1.1
71.58367	1.4
72.04494	2.6
72.08142	3.4
73.02937	1.1
73.08420	1.1
74.02441	7.8
81.03429	5.7
82.02934	2.3
82.06574	2.2
83.04979	2.6
83.06094	1.8
84.04501	29.8
84.08136	20.3
85.02895	2.8
86.05945	1.0
86.09716	1.6
88.03972	1.1
96.04487	1.6
97.02892	1.1
98.06059	1.4
98.97581	1.6
99.05545	1.9
100.03975	7.6
102.05557	1.8
110.06020	1.0
112.03947	1.6
113.05882	1.0
114.05519	1.3
116.98638	2.0
118.05051	5.2
119.01923	2.4
129.10229	3.8
130.05000	23.1
130.08499	0.9
131.01848	1.3
134.99687	1.4
138.05510	1.1
145.03539	1.2
146.04478	8.7
146.99646	1.8
152.67130	0.9
155.01888	1.0
156.06630	1.2
158.04396	0.9
161.02986	1.0
165.06584	2.1
173.02927	1.4
177.00829	0.9
183.07687	1.2
187.04411	1.0
187.07115	1.3
190.98601	4.4
208.99802	1.6
211.07175	2.3
212.05650	1.4
229.08315	1.5
232.99608	2.1
251.00847	1.0
257.07712	1.0
275.11020	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41986	0.8
56.05048	2.3
56.96561	5.6
57.03404	1.0
57.63071	0.8
67.05505	1.2
68.05025	1.3
69.03413	3.0
70.06581	2.6
70.98122	1.1
71.58367	1.4
72.04494	2.6
72.08142	3.4
73.02937	1.1
73.08420	1.1
74.02441	7.8
81.03429	5.7
82.02934	2.3
82.06574	2.2
83.04979	2.6
83.06094	1.8
84.04501	29.8
84.08136	20.3
85.02895	2.8
86.05945	1.0
86.09716	1.6
88.03972	1.1
96.04487	1.6
97.02892	1.1
98.06059	1.4
98.97581	1.6
99.05545	1.9
100.03975	7.6
102.05557	1.8
110.06020	1.0
112.03947	1.6
113.05882	1.0
114.05519	1.3
116.98638	2.0
118.05051	5.2
119.01923	2.4
129.10229	3.8
130.05000	23.1
130.08499	0.9
131.01848	1.3
134.99687	1.4
138.05510	1.1
145.03539	1.2
146.04478	8.7
146.99646	1.8
152.67130	0.9
155.01888	1.0
156.06630	1.2
158.04396	0.9
161.02986	1.0
165.06584	2.1
173.02927	1.4
177.00829	0.9
183.07687	1.2
187.04411	1.0
187.07115	1.3
190.98601	4.4
208.99802	1.6
211.07175	2.3
212.05650	1.4
229.08315	1.5
232.99608	2.1
251.00847	1.0
257.07712	1.0
275.11020	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40667	4.4
56.96561	63.3
67.05502	7.5
69.03429	7.8
69.46011	4.5
70.06602	7.5
70.69080	9.6
70.69466	14.8
70.98115	26.5
71.05024	4.3
72.08153	15.9
72.87818	4.5
74.02432	9.0
75.14069	5.6
80.04994	5.6
81.03413	6.8
82.06557	13.7
83.04990	13.1
84.04503	20.5
84.07685	8.7
84.08147	100.0
85.02924	5.3
88.99146	13.4
93.97443	4.5
96.04559	5.3
98.97537	12.5
99.05588	4.9
107.00155	5.2
110.07221	4.7
112.07623	9.0
113.05989	10.0
116.98594	10.7
118.04972	6.6
124.76437	4.4
128.98607	5.5
129.10239	16.5
130.04982	10.8
130.08661	19.3
145.06116	6.5
146.04466	20.7
146.99644	15.4
147.04474	8.9
147.07663	8.6
165.00723	13.7
172.97557	22.4
176.06134	4.3
186.99190	5.2
187.04568	8.1
190.98633	79.7
204.10237	8.6
205.00102	10.4
208.99840	22.7
218.98190	17.3
221.05110	8.7
223.01295	6.2
232.99643	38.9
236.99150	12.5
247.06615	8.1
251.00723	16.8
258.14621	5.1
275.11218	5.0
275.17044	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	275.0373
Annotation	9-phenanthryl hydrogen sulfate
Peak:m/z	Relative Intensity
50.41791	5.3
56.05018	12.1
56.08267	6.8
56.96550	19.0
57.07060	6.8
59.04998	15.4
63.48708	5.6
66.28150	5.5
67.05495	11.2
69.03429	8.9
69.07039	6.5
70.06583	11.5
71.10697	7.0
71.11038	14.8
72.08149	12.9
74.02453	6.7
80.05018	5.7
81.03407	18.0
81.07075	6.8
82.06571	11.6
84.04520	32.5
84.08149	41.2
85.02886	18.2
86.09708	39.7
87.10032	17.9
89.03948	6.3
93.22030	6.4
95.06097	16.9
97.06528	9.0
98.97588	8.3
99.04434	9.1
105.07008	8.2
112.03963	10.3
112.99994	8.1
113.07110	27.9
114.13650	7.3
116.98595	8.6
119.01906	13.8
129.10248	9.7
130.05005	13.8
130.08621	6.6
130.50986	5.9
145.03520	6.8
146.04491	8.0
157.13322	14.5
158.13676	16.4
161.01266	7.1
163.03841	14.1
177.00729	7.7
187.04477	12.7
203.03868	6.9
215.01620	10.1
257.02652	100.0
257.08075	7.2
263.00497	7.0
274.27338	11.9
275.03741	81.5
275.11111	96.6
278.59128	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	275.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94785	3.5
52.74776	2.9
56.05040	5.5
56.96552	5.1
61.93254	3.4
69.03413	4.0
70.06577	4.2
71.09427	7.0
72.08168	4.2
83.06078	5.7
84.04493	11.8
84.08141	100.0
85.02904	5.2
95.06083	32.1
97.02900	3.2
98.20689	3.5
101.00857	5.3
101.10795	4.9
113.07119	33.5
119.01931	10.5
129.10229	18.0
130.04977	9.4
131.01892	6.5
138.05536	3.4
145.03459	8.7
146.12842	3.6
147.07663	9.5
150.67249	3.2
161.02892	4.1
173.03023	6.8
187.04512	6.4
215.04100	3.5
258.14496	5.2
274.30780	2.9
275.01703	6.6
275.05862	6.8
275.10776	29.5
275.17065	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	274.1801
Annotation	Magellaninone
Peak:m/z	Relative Intensity
55.05489	1.3
56.96549	1.4
69.07040	0.9
70.06569	0.6
71.59949	1.4
74.06065	2.5
79.05491	0.8
81.03412	1.3
81.07053	0.9
81.94987	0.7
88.48351	0.6
91.05475	2.2
93.07030	1.2
94.06593	0.7
98.97594	1.7
105.07016	1.8
107.08555	0.8
116.98621	1.6
119.08566	1.7
120.06548	2.3
123.39322	0.6
131.08589	0.8
133.10153	1.6
134.05959	0.7
134.99617	1.4
144.08063	1.3
145.08881	0.8
147.10466	1.9
147.11627	0.7
148.11176	1.3
156.07976	1.0
160.11214	87.2
161.11891	2.2
165.07890	0.9
170.09604	1.3
171.10416	0.7
176.10727	4.2
177.11491	11.6
184.11194	1.7
186.12762	12.0
198.12756	2.5
200.14301	1.0
212.14328	0.7
215.16624	0.9
216.17493	1.4
226.15907	2.1
228.17484	3.8
246.18539	5.9
256.17020	1.4
266.79007	0.8
274.18005	100.0
274.27063	1.4
287.55060	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1801
Annotation	Magellaninone
Peak:m/z	Relative Intensity
50.56953	0.3
55.05492	0.9
56.96550	0.9
66.84950	0.3
67.05482	1.0
69.07054	0.7
69.90363	0.3
70.06544	0.4
70.25117	1.2
73.05514	0.4
79.05480	1.1
80.04969	0.4
81.07064	2.0
89.96614	0.3
91.05482	1.7
93.05769	1.4
93.07005	0.7
95.08588	0.9
97.06503	0.5
98.97572	0.6
105.05769	0.6
105.06996	1.5
106.06542	2.6
107.07325	11.1
107.08507	0.8
109.10150	0.5
116.98592	0.8
117.05687	0.6
117.06990	0.7
118.06505	1.6
119.07317	0.4
119.08548	1.1
120.08099	2.7
121.08866	1.5
122.06035	0.6
128.06194	0.9
129.06966	2.0
130.06499	0.8
131.07297	2.3
131.08519	1.1
132.08072	9.9
133.05194	0.6
133.08847	2.5
133.10043	0.6
134.06006	6.2
134.09637	3.4
134.99667	0.6
137.33028	0.3
143.08540	1.5
144.08014	2.4
144.09113	0.4
145.08824	2.0
145.10051	0.7
146.06023	0.5
146.09630	12.9
147.10370	1.5
147.11479	0.4
148.07553	20.6
148.11191	21.6
149.11942	1.1
156.08049	1.1
158.06007	0.5
158.09636	1.0
160.11195	10.0
161.09824	0.4
161.11977	10.8
162.09140	2.4
163.09866	0.8
169.10126	0.4
170.09601	0.8
172.11194	1.0
174.09067	0.7
174.12808	0.7
176.10675	1.6
177.00674	0.7
177.11456	1.3
184.11230	1.1
185.12030	0.5
186.12737	2.2
188.10742	0.4
188.14308	0.8
198.12790	0.6
199.13559	0.5
199.73781	0.3
200.14378	0.8
202.07457	0.4
202.12296	0.4
212.14326	0.5
214.12196	0.4
214.15912	1.4
215.06949	0.5
215.16626	0.8
216.13797	0.8
218.19112	0.6
228.17488	1.7
230.15486	0.6
230.19002	0.8
246.18500	6.2
256.17029	1.3
274.17981	100.0
275.18344	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2573
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03935	3.8
53.80666	1.9
55.01868	2.5
55.05505	18.3
57.07060	9.4
65.03931	3.8
66.92405	1.9
67.05494	17.1
69.03417	6.2
69.07063	43.8
69.37511	17.7
69.37932	4.9
71.01350	2.7
71.08604	2.5
79.05485	9.5
81.03402	9.3
81.07056	59.0
83.04981	4.2
83.08611	14.4
85.02906	15.2
87.00813	5.2
91.05473	12.7
93.07034	25.4
95.04943	5.8
95.08599	60.3
97.10155	6.8
101.02396	2.2
105.07027	29.3
107.08590	42.2
109.02875	2.6
109.10152	51.4
111.11707	4.9
117.07043	2.0
119.08589	29.2
119.64359	2.2
121.10139	37.9
123.04401	5.4
123.11701	33.4
127.03928	7.7
131.08521	3.1
133.10132	26.9
135.11664	29.6
137.13254	18.2
145.10104	8.3
147.11668	22.3
149.13246	26.8
149.82104	2.1
151.14806	6.9
154.78120	2.2
157.10077	2.7
159.11685	4.6
161.13261	20.4
163.14816	18.1
165.16505	3.1
169.04951	8.6
171.58493	2.2
175.14842	10.9
176.25351	2.1
177.16360	10.5
187.06000	4.3
189.03908	3.0
189.16365	20.7
191.17960	18.6
197.13257	3.1
203.14310	2.2
203.17958	20.6
217.19499	22.4
231.21025	6.5
255.17412	3.8
255.21196	2.5
266.63211	2.4
273.18555	5.0
273.25766	100.0
274.18149	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1847
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03946	3.1
54.64649	0.8
55.01854	2.8
55.05509	29.3
56.96553	2.1
57.03425	1.8
60.09274	0.8
65.03934	0.9
67.05504	17.2
69.03417	1.0
69.07069	12.5
70.16198	3.6
71.04993	1.9
77.43951	1.0
79.05495	16.7
81.03426	1.2
81.07050	19.0
83.04974	2.7
83.08614	11.2
85.06533	1.3
89.72224	0.9
91.05476	38.9
93.07049	16.2
93.58205	1.0
95.04962	3.9
95.08610	11.7
97.06528	2.1
97.10166	6.9
98.97555	1.0
103.05485	1.8
105.07029	35.0
107.04939	1.5
107.08599	7.3
109.06521	3.2
109.10159	3.6
109.61494	1.0
111.08033	1.0
115.05428	5.0
116.06232	3.7
116.98613	1.5
117.07012	35.0
117.07841	1.8
119.04961	1.3
119.08580	15.2
121.06490	2.8
121.10160	2.7
123.08054	2.9
125.09624	3.3
128.06232	7.8
129.07019	16.1
130.07787	10.0
131.04916	1.1
131.08562	66.8
133.06528	5.2
133.10141	8.7
134.99651	2.8
135.08044	2.4
135.11696	1.5
139.80022	0.9
141.06963	2.6
142.07748	2.0
143.08556	53.1
144.09309	3.8
145.06451	2.5
145.10117	72.3
147.08035	7.2
147.11688	2.6
149.09619	3.1
151.07529	1.4
155.08559	3.9
156.09227	1.2
157.10139	16.7
158.10907	2.1
159.08084	2.9
159.11678	20.4
161.09631	7.1
165.09291	1.0
167.08589	1.7
169.10103	7.5
171.08075	1.2
171.11699	10.9
173.09656	1.5
173.13286	2.1
175.09764	1.0
175.11194	3.8
177.12787	1.4
179.10733	1.1
181.10144	4.7
183.11621	1.8
185.09631	1.8
185.13252	4.0
187.11230	1.2
189.12802	2.3
195.11713	9.1
199.11176	1.8
199.14871	1.2
209.13293	1.6
211.14830	1.2
213.12730	1.5
213.16313	1.8
227.17934	4.3
237.16376	15.2
241.03743	1.1
245.19009	2.6
255.17462	15.3
269.03290	2.4
273.18515	100.0
274.18716	1.4
278.04175	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1902
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
50.01503	1.2
50.55572	1.1
53.03931	2.8
55.01865	2.9
55.05511	39.2
57.03434	29.8
59.28516	1.2
64.16300	1.2
65.03956	1.8
67.05505	58.3
69.03430	1.5
69.06716	2.1
69.07070	32.5
70.77598	4.0
71.04987	12.1
79.05060	1.8
79.05495	27.0
81.07058	91.1
83.04972	5.3
83.08617	22.5
85.06533	9.2
91.04958	2.1
91.05477	21.2
93.07048	23.8
95.04979	2.1
95.08609	100.0
97.06545	14.1
97.10155	6.0
99.08091	4.1
103.55761	1.3
105.07038	20.6
107.08609	8.3
109.06511	3.5
109.10157	14.2
111.08063	4.9
113.09626	1.6
118.98643	1.4
119.08592	24.3
121.10154	4.6
123.08050	5.6
125.09661	1.3
133.10130	14.5
135.11708	6.7
137.09639	2.3
137.13243	6.1
145.79498	1.3
156.46776	1.5
159.11906	1.3
161.13246	24.3
166.59790	1.3
179.14276	9.1
253.17929	1.5
271.06137	1.6
271.19052	50.8
274.35217	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96038	4.4
55.01852	14.3
57.03428	24.1
61.02915	16.4
61.75365	4.6
69.03415	40.4
70.06599	28.3
71.58780	10.6
73.02920	45.7
81.03404	15.0
85.02898	100.0
87.04469	5.1
97.02882	38.9
98.03508	10.4
98.97581	5.6
99.04436	11.3
101.00875	14.0
109.02872	7.1
111.02926	5.6
116.07101	8.0
116.98598	8.6
119.01909	26.2
124.37039	5.5
127.03928	45.9
129.02881	5.1
131.01945	13.3
138.03398	11.9
143.01886	61.3
144.03442	7.4
145.03416	8.7
145.04945	12.4
147.03969	9.5
149.02989	5.3
153.03970	13.0
155.01898	34.3
157.03362	6.3
158.05598	15.2
159.03221	5.0
161.01382	6.5
161.02934	86.2
163.03915	5.9
164.04253	4.5
167.01895	5.7
173.02965	65.6
174.03094	11.8
174.04536	14.3
183.05055	34.9
185.02972	30.3
191.03993	11.5
192.05553	18.7
193.03522	4.8
195.01793	5.2
203.04024	59.7
221.05075	10.0
227.12230	6.2
233.05095	17.0
245.04987	15.7
263.06226	27.1
273.03592	8.0
273.09390	32.3
273.12262	16.1
275.06052	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	273.0754
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
51.39075	0.4
54.06694	0.4
55.01885	0.6
55.05481	0.8
57.03433	0.5
67.01856	6.2
67.05495	1.4
68.99783	3.4
69.00106	0.4
69.03427	2.7
70.13637	2.6
79.05479	0.7
81.03403	1.0
81.07043	1.4
83.04951	1.8
85.02901	1.9
87.00826	0.7
91.04962	0.7
91.05479	7.8
93.06997	1.0
95.04989	2.6
95.08587	0.6
97.02880	2.2
98.20796	0.6
105.07055	0.5
105.97936	0.5
107.04936	3.0
109.10123	0.8
111.00798	0.7
119.04929	15.1
121.02809	0.5
121.06510	2.3
123.04420	3.5
125.02320	1.3
127.03896	0.9
129.01779	0.8
131.08571	0.6
135.11716	0.5
147.04398	37.9
151.03918	0.8
153.01814	100.0
154.02142	1.1
156.16777	0.6
169.10039	0.7
171.02873	28.5
177.08492	0.5
179.03320	1.2
181.06427	0.9
189.05487	0.9
208.92085	0.6
248.79469	0.6
273.07544	74.4
273.18524	1.3
274.07986	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1903
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03942	3.0
55.01871	2.8
55.05510	45.1
55.68100	1.0
57.03439	27.5
57.07053	1.7
63.27700	1.1
65.03963	1.2
66.28336	1.3
67.05507	59.0
69.06721	2.1
69.07071	32.4
71.04998	11.8
71.11143	1.3
71.11475	1.9
71.26124	1.2
72.82287	1.0
79.05494	27.9
81.07060	94.2
83.04971	4.3
83.08621	22.5
85.06541	9.6
91.05487	23.5
93.07050	26.2
95.04969	2.8
95.08609	100.0
97.06535	13.6
97.10184	5.9
99.08115	5.8
101.06041	1.0
103.47940	1.1
105.07030	17.3
107.08598	9.0
109.06531	3.8
109.10169	11.7
111.08086	5.0
113.05995	1.3
113.09592	1.8
117.06983	1.6
119.07787	2.1
119.08587	23.4
121.10157	5.6
123.08057	5.7
123.11672	1.1
125.09613	1.3
127.07529	1.8
133.10135	14.6
135.11685	7.0
137.09624	3.1
137.13275	5.0
149.13304	2.4
161.13268	28.9
179.14310	13.3
191.14177	1.1
230.24321	1.2
253.18112	3.0
271.19046	62.6
272.19186	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1903
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
51.21966	1.0
53.03939	2.2
54.81209	0.9
55.01860	2.8
55.05511	36.7
56.96572	1.5
57.03438	28.5
57.07074	2.2
58.23913	0.8
61.52164	1.0
65.03933	1.5
67.05503	56.4
69.03425	2.1
69.07069	33.8
69.07455	1.7
69.49357	7.6
71.04993	12.7
72.48318	1.1
74.17802	0.9
74.33689	0.9
79.05490	23.9
79.05954	1.3
81.07055	85.5
83.04961	4.9
83.08611	19.6
85.02950	1.2
85.06549	9.3
91.05478	21.7
92.39151	1.1
93.07045	26.7
95.04963	2.8
95.08606	100.0
96.08948	1.0
97.06533	16.0
97.10168	5.3
98.20773	2.2
98.97574	1.9
99.08113	6.9
101.06026	1.3
105.07031	18.8
107.08591	9.2
109.06516	4.6
109.10164	15.4
111.08103	5.1
113.09602	1.3
116.98608	2.4
117.07059	1.5
119.08582	24.5
121.10160	6.4
123.08064	5.3
125.09605	2.3
125.60456	1.0
131.08571	1.0
133.10132	15.8
135.11682	8.5
137.09578	4.5
137.13280	7.3
141.09158	1.0
149.13248	1.5
161.13252	33.1
179.14299	15.8
197.15410	1.5
253.18025	2.2
271.05948	1.3
271.19046	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1904
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
50.89404	0.5
53.00296	0.6
53.03942	2.6
53.93158	0.5
55.01876	2.8
55.05510	40.2
56.96562	0.9
57.03436	29.4
57.07080	1.4
65.03934	2.6
67.05502	58.6
68.55884	0.5
69.03433	1.4
69.07066	32.5
69.59463	2.2
69.59894	2.5
71.04993	13.5
71.05352	0.4
73.06560	1.3
75.04481	0.8
79.05489	25.0
81.07054	87.8
83.00479	0.7
83.04977	4.9
83.08613	21.1
85.02917	1.1
85.06539	9.2
91.05477	21.0
93.07042	22.4
93.07627	1.4
95.04974	3.2
95.08604	100.0
97.06528	13.6
97.10165	6.2
98.97605	0.9
99.08094	5.8
105.07023	17.1
107.08592	7.6
109.06495	3.7
109.10153	12.6
111.08058	4.3
113.09657	1.7
117.07023	1.3
119.08575	27.4
121.10134	5.1
123.08058	4.7
123.11668	0.8
125.09596	1.0
127.07578	1.2
131.08473	0.8
133.10123	15.8
135.11700	8.3
137.09602	4.1
137.13223	7.0
149.13281	1.9
161.13252	26.6
179.14316	11.7
197.15358	0.8
212.07193	0.6
224.06984	0.7
233.07373	0.8
242.08281	0.9
253.18027	2.8
271.06039	1.0
271.19034	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1902
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03934	3.4
55.01865	4.1
55.05511	44.9
55.50336	1.1
55.71216	1.1
56.02260	1.1
56.96555	3.1
57.03437	29.9
57.07059	2.6
59.05010	1.4
61.02899	1.3
65.03939	1.7
67.05502	56.8
69.03417	2.5
69.07065	31.6
69.07445	1.6
71.04987	16.9
71.14055	1.8
71.14395	2.1
77.11140	1.1
79.05488	25.4
81.03412	1.5
81.07053	94.0
83.04970	4.5
83.08617	22.7
85.02928	1.7
85.06088	1.5
85.06531	9.4
91.05476	24.5
91.32301	1.2
93.07037	26.2
95.04959	4.8
95.08602	100.0
97.06536	18.8
97.10163	5.8
98.97577	5.1
99.08086	6.3
105.07031	20.2
107.08579	11.5
109.06492	3.8
109.10152	13.5
111.08072	6.1
115.07529	1.6
116.01656	2.8
116.98645	2.9
119.08569	26.7
121.10139	6.8
123.08059	5.6
123.11742	2.1
127.07530	1.8
130.38216	1.3
131.00171	1.5
133.10124	17.9
135.11694	10.1
137.09605	4.9
137.13240	7.4
149.13223	1.3
155.08586	1.3
158.99600	1.7
161.01318	2.0
161.13266	29.8
168.04755	1.6
173.01323	2.1
179.14313	14.2
183.08006	1.7
197.15366	2.4
207.07776	1.6
209.15396	1.3
237.04863	1.2
253.18092	2.9
259.70190	1.3
267.01556	1.5
271.06180	3.6
271.09641	2.4
271.19040	61.2
272.18845	2.9
278.41769	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	44.2
57.03429	32.1
57.07074	8.1
62.14038	4.5
67.05504	62.6
69.07061	39.5
71.04976	12.4
71.08632	8.5
71.31618	13.5
73.48148	5.0
77.53891	4.6
79.05476	26.2
81.07047	85.5
83.05003	5.9
83.08626	19.6
83.91541	5.2
85.06535	7.3
91.05476	14.8
93.07047	22.2
95.08601	100.0
97.06519	17.6
97.10165	6.8
105.07007	21.4
107.08640	6.3
109.10100	11.8
119.08591	25.0
133.10133	16.4
134.09247	5.3
135.11676	9.2
161.13281	23.3
179.14204	10.2
271.06076	9.9
271.19055	47.8
271.28223	6.5
278.50879	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	271.1902
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03938	3.3
55.01861	2.5
55.05259	3.2
55.05513	38.4
57.03436	28.8
59.64209	2.0
67.05507	53.0
69.07066	31.6
71.04987	11.7
74.84805	2.3
79.05489	25.6
81.07056	94.5
83.04983	5.2
83.08626	19.3
85.06532	7.8
91.05473	18.6
93.07053	21.7
95.04964	2.4
95.08604	100.0
97.06526	13.9
97.10172	6.6
99.08100	6.2
105.07027	18.6
107.08589	7.8
109.06503	2.1
109.10155	11.9
111.08090	4.7
113.72880	2.1
117.65846	2.0
119.08574	22.7
120.58110	2.1
121.10088	4.1
123.08057	5.0
133.10114	14.2
135.11705	7.3
137.09677	3.4
137.13272	7.8
161.13249	28.8
179.14308	9.4
229.71587	2.3
253.17961	3.0
271.19031	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01849	2.7
55.05510	40.3
57.03436	27.5
57.07058	1.8
59.04987	1.2
62.33016	0.9
65.03936	1.0
67.05505	53.4
69.07069	30.9
69.35889	10.7
71.04999	12.3
71.08609	1.2
75.14592	0.9
79.05492	23.6
81.07056	86.7
83.04979	3.1
83.08613	20.0
85.06542	7.5
91.05477	21.6
93.07039	21.0
95.04957	3.0
95.08605	100.0
97.06531	14.4
97.10166	6.1
98.21565	1.7
99.08104	5.3
105.07031	18.2
107.08588	8.4
109.06512	2.2
109.10149	13.5
111.08092	5.4
113.09621	2.1
115.07556	1.6
117.06966	1.4
119.07789	2.0
119.08581	23.8
121.10121	2.7
123.08054	3.8
123.11657	1.8
125.09612	1.1
133.10123	14.7
135.11714	7.9
137.09593	3.1
137.13229	6.0
149.13365	1.4
151.11145	1.1
161.13251	30.2
179.14293	11.1
253.18069	3.1
271.05984	10.5
271.19022	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.6
55.01863	2.7
55.05511	38.6
55.76349	1.4
57.03435	27.4
65.03925	1.9
67.05503	53.9
67.33252	1.3
69.07069	31.4
69.31422	8.2
69.31848	6.0
71.04984	10.2
74.10245	1.3
79.05490	23.3
81.07055	87.2
83.04955	4.0
83.08140	1.9
83.08616	25.4
85.06528	8.1
91.04955	2.0
91.05479	19.2
93.07041	18.4
93.77936	1.4
95.04964	2.2
95.08605	100.0
97.06516	12.2
97.10159	5.4
99.08083	4.3
103.51143	1.3
105.07024	13.2
107.08562	7.9
107.13745	1.3
109.06478	2.9
109.10143	11.0
111.08036	4.4
115.07594	1.5
118.47757	1.2
118.83108	1.4
119.08571	21.4
121.10117	5.9
123.08051	6.0
133.10139	15.0
135.11674	9.4
137.09590	2.3
137.13242	6.4
151.14862	2.2
161.13255	28.3
162.13536	1.6
179.14320	14.1
189.20876	1.3
193.42273	1.5
253.18127	1.6
271.05960	2.2
271.19028	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1901
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03930	3.7
55.01873	2.1
55.05508	43.2
57.03436	31.1
57.07060	1.7
65.03929	2.6
67.05502	62.5
69.03426	2.1
69.07066	38.0
71.04990	14.5
79.05491	23.8
81.07052	93.1
83.04961	5.2
83.08617	23.8
85.06530	9.0
91.05473	21.3
93.07047	20.3
95.04952	3.5
95.08601	100.0
96.57640	1.1
97.06522	13.9
97.10173	6.9
99.08090	6.7
105.06382	2.0
105.07033	16.2
107.08570	8.2
109.06485	3.6
109.10132	13.1
111.08078	4.7
113.09654	1.8
115.07618	1.5
119.07786	1.9
119.08574	23.3
121.10136	4.8
123.08061	4.6
125.09613	2.0
127.07604	1.3
131.08525	1.6
133.10130	15.6
135.11690	9.3
137.09567	3.3
137.13220	7.8
151.14761	1.7
161.13235	28.8
179.14325	11.9
197.15511	1.6
218.97864	1.2
253.17926	3.4
271.19028	64.8
272.19489	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1903
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03943	2.9
53.77450	0.7
55.01867	2.4
55.05511	46.6
56.47701	0.7
57.03437	33.0
57.07067	2.2
59.04977	1.1
65.03931	2.9
66.00566	0.8
67.05502	63.9
69.03422	1.7
69.07066	33.3
71.04991	13.2
73.06548	1.4
79.05489	27.1
81.07053	93.9
83.04981	4.4
83.08615	20.8
85.06534	9.3
86.40778	0.7
91.05479	24.0
93.07043	25.2
95.04960	2.7
95.08602	100.0
97.06529	13.9
97.10164	4.5
99.08074	4.3
105.07027	18.7
107.08592	9.8
109.06515	2.6
109.09403	0.6
109.10145	14.3
111.08068	3.8
112.14371	0.8
113.09670	1.4
113.38667	0.6
117.06988	1.2
119.04934	0.7
119.08571	20.3
121.10162	4.8
123.08080	4.2
123.11658	1.2
123.89755	0.8
125.09669	1.0
131.08571	1.1
133.10115	11.0
135.11685	6.3
135.46350	0.7
137.09622	3.0
137.13217	3.5
159.11575	0.8
161.13249	17.7
179.14297	7.6
197.15242	0.9
229.49493	1.1
246.43329	0.8
253.18176	1.2
271.06012	6.1
271.18997	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64645	3.0
55.05508	38.9
57.03435	30.6
57.07079	3.3
58.78321	2.8
66.91151	2.9
67.05502	69.0
68.18150	2.7
69.07066	32.7
69.18748	2.5
70.98103	8.7
71.04996	14.8
71.08629	2.9
73.31968	2.5
79.05482	23.6
81.07053	99.5
83.05000	6.5
83.08620	22.9
85.06548	12.1
91.05497	20.7
93.07034	23.2
95.08603	100.0
97.06534	21.6
97.10166	9.3
99.04356	2.8
99.08106	4.6
105.07014	20.2
106.01572	2.8
107.08587	7.4
109.10147	12.7
111.08061	5.9
119.08598	22.9
121.10126	5.0
123.08044	4.3
128.93178	3.2
133.10123	12.2
135.11702	6.5
137.13271	8.0
137.62489	2.9
161.13214	24.2
179.14291	12.0
221.23656	2.7
255.35994	3.0
271.05981	18.6
271.18970	57.8
271.28201	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	271.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.05512	38.0
57.03436	26.2
57.07071	2.8
66.84058	2.5
67.05177	3.2
67.05505	51.8
69.03449	2.4
69.07062	30.4
69.36402	23.8
71.04971	11.7
79.05492	24.2
81.06574	4.3
81.07055	81.8
83.04989	4.7
83.08612	18.1
85.06539	7.6
89.60551	2.4
91.05470	20.1
91.52973	2.7
93.07039	21.4
95.04952	4.3
95.08602	100.0
97.06528	16.6
97.10157	8.4
97.46478	2.4
98.21478	6.8
99.04478	2.9
105.03372	5.0
105.07018	14.5
107.08588	6.5
109.06573	3.4
109.10165	17.7
111.08065	3.4
119.08563	26.9
121.10126	6.0
123.08035	6.8
133.10106	12.2
133.87898	2.9
135.11694	6.9
137.13200	5.4
139.61693	3.0
149.05940	6.3
151.11188	3.0
153.01851	3.3
161.13275	27.1
179.14268	6.3
197.01292	3.5
215.02280	3.2
271.06006	30.1
271.19022	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1901
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03923	2.7
55.01856	2.7
55.05508	46.0
57.03435	33.0
57.07070	2.8
65.03938	2.7
67.05501	56.4
69.06720	1.8
69.07068	32.7
71.04987	12.1
71.07486	1.2
73.06539	2.4
79.05490	28.4
79.07505	1.1
81.07052	90.9
83.04959	4.8
83.08611	21.5
85.06537	9.3
91.05475	22.4
92.87969	1.3
93.07036	22.7
95.04977	2.9
95.08601	100.0
97.06529	14.9
97.10158	5.7
99.08092	5.5
105.07029	17.1
107.08588	7.5
109.06490	2.7
109.10152	11.3
111.08083	4.3
113.09650	1.4
115.07541	1.5
117.07010	1.3
119.08567	25.7
121.10151	4.8
123.08056	5.2
133.10124	15.6
133.20169	1.2
135.11668	9.2
137.09596	4.2
137.13255	5.5
161.13243	29.2
179.14355	9.1
189.17709	1.3
207.49638	1.4
214.46823	1.2
253.17902	3.0
256.19086	1.3
265.22577	1.2
271.05905	1.4
271.19031	54.9
274.02438	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37883	4.4
53.03934	11.2
55.01875	9.3
55.05495	22.8
56.96561	31.7
57.03420	14.4
57.07060	6.2
67.05499	53.2
69.03417	10.1
69.07065	33.9
70.21707	20.5
71.04980	15.8
79.05484	45.8
81.03419	72.8
81.07057	100.0
83.04958	18.1
83.08614	21.1
85.02894	7.5
85.06519	6.4
91.05468	51.6
93.07035	53.9
95.04953	25.0
95.08607	72.6
97.02892	6.2
97.06528	33.1
97.10198	6.2
98.20789	6.4
98.97572	20.0
99.04442	9.3
99.08080	7.0
105.07027	57.1
107.04964	8.7
107.08590	39.3
109.06504	16.0
109.10170	26.7
111.08087	7.4
116.01638	5.4
116.98625	27.2
117.07044	5.8
119.04907	12.8
119.08578	44.6
121.06496	28.5
121.10129	30.3
123.04390	6.2
123.08078	12.4
123.11704	19.5
127.07521	10.2
128.06227	5.4
129.07001	10.2
131.08548	19.1
133.10156	25.0
134.99643	13.1
135.04358	5.0
135.11664	11.3
137.05957	11.1
137.09598	7.0
137.13245	7.5
139.07520	8.6
141.06956	8.7
143.00124	8.3
143.08553	11.1
145.06483	6.6
145.10085	16.8
147.11678	74.3
149.01244	5.5
149.13284	6.9
150.05470	6.0
152.06168	6.3
153.06972	20.0
155.07321	4.5
155.08502	13.9
157.06459	5.5
157.08780	9.0
157.10094	18.8
158.99658	6.5
159.11702	10.9
161.01230	30.6
161.09644	7.1
161.13251	20.0
165.07010	42.6
165.12735	58.4
168.04602	6.2
169.10175	4.5
171.11641	12.6
173.09647	5.4
173.13254	6.3
175.07503	4.6
175.11148	13.6
177.00711	9.3
177.05481	13.6
179.10820	5.4
179.14186	5.2
181.06401	8.7
182.08464	6.4
183.08012	25.0
183.13826	14.6
185.01305	5.7
189.00658	4.6
189.03297	6.2
189.12785	11.6
191.02260	5.1
193.06505	11.9
193.12267	11.0
197.05898	7.2
197.13277	6.0
207.01723	5.1
207.13831	10.6
211.07593	30.9
211.09346	6.2
211.13304	7.1
212.08118	5.5
217.12164	14.8
219.01740	5.3
221.06009	9.0
225.10481	7.7
225.16345	5.2
228.07611	7.4
229.14326	36.7
235.13260	25.2
239.06970	7.2
243.10211	28.2
249.02798	10.7
253.09810	5.6
253.14398	16.7
262.13425	5.9
267.03860	16.9
271.06039	37.3
271.09747	69.0
271.20538	15.6
271.24103	10.0
285.04944	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	271.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99666	0.8
53.03938	0.7
55.05490	1.2
56.05026	0.9
56.96566	3.9
67.05511	0.7
69.03395	1.6
69.07064	1.6
70.06578	2.7
70.69292	2.4
74.02445	1.1
81.03410	3.4
81.07056	1.3
83.04979	1.3
83.06114	0.7
84.04500	1.4
84.08131	2.8
85.02898	1.3
86.09694	2.8
89.03923	1.0
95.06091	1.0
96.04449	0.7
98.06078	1.1
98.97559	1.4
99.04487	0.7
99.05581	0.9
100.03970	0.8
104.10719	1.3
108.08031	0.9
109.06499	1.9
110.05998	0.7
110.07150	4.3
112.07555	0.7
116.98625	0.9
123.00561	1.4
126.08926	12.5
129.70978	0.7
134.99588	0.7
135.04402	1.0
136.06151	0.9
139.05002	1.4
140.03255	4.8
141.01598	2.6
143.00142	1.1
146.04539	0.8
153.09996	1.1
153.74905	0.6
155.04625	0.6
156.07620	1.3
161.01244	2.4
161.30878	0.7
163.03905	5.8
168.02682	65.8
183.42906	0.7
189.00746	0.8
216.10875	2.0
226.10457	1.3
231.01775	0.9
235.10580	1.5
236.08902	3.7
241.83745	0.7
249.02850	1.2
253.11597	49.8
254.10011	2.5
267.03925	1.6
271.06226	2.3
271.12643	100.0
285.04913	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.5
56.05016	1.7
56.96552	2.7
57.72036	1.0
67.04236	1.5
69.03417	5.1
70.06585	5.2
70.72335	3.7
72.04500	3.5
74.02441	20.3
79.05493	6.7
80.05007	1.7
81.03406	2.5
81.07053	15.8
82.02942	3.0
82.06573	10.7
83.06116	1.0
83.08613	3.2
84.04491	3.2
84.08115	3.0
85.02894	1.4
91.05487	1.6
91.74536	1.1
92.05002	3.7
93.05767	2.3
94.06563	2.2
97.02867	1.6
98.06041	5.5
98.09673	3.4
99.04439	1.8
99.05579	2.5
100.03977	2.5
100.07632	2.1
102.05534	1.4
107.04945	2.2
108.08104	11.5
109.06510	54.5
109.08449	1.6
109.99113	1.2
110.06036	13.3
110.06726	1.2
110.07162	3.8
111.06778	1.5
111.07499	1.6
118.05031	5.4
119.01862	1.1
120.08106	1.5
124.07561	3.4
125.08377	5.8
126.05488	2.0
126.09146	100.0
128.00220	1.9
130.05029	1.9
136.07574	2.9
139.05817	1.9
142.08696	1.2
144.06508	2.4
145.06055	1.4
146.04459	3.9
148.07565	3.3
162.09128	4.0
164.07074	1.2
165.10199	1.1
179.11798	1.9
180.10208	1.3
190.08556	7.9
207.11319	11.1
208.09660	1.2
223.92149	1.1
236.09152	1.5
253.11873	4.2
254.10240	7.9
271.12701	2.4
271.14621	1.7
272.11264	1.5
283.02643	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.1
55.01863	9.7
55.05510	17.4
56.96560	6.2
57.07061	2.1
65.03948	2.9
67.05499	22.8
69.03420	7.2
69.07058	19.0
69.08111	2.1
70.06625	1.9
71.04990	15.9
71.59558	3.1
79.05487	29.5
81.03408	3.9
81.07053	46.9
83.04980	21.4
83.08620	19.2
85.02850	2.2
85.06539	8.9
86.09672	2.3
89.38516	2.2
91.05466	24.6
92.60902	2.0
93.07035	72.0
95.04951	19.1
95.08599	44.4
97.06524	37.9
98.97575	3.5
99.04443	25.8
105.07027	48.4
107.04953	6.0
107.08582	31.6
109.02934	2.3
109.06510	36.7
109.10144	7.2
111.04459	2.8
111.08070	14.7
113.06004	7.9
116.98582	3.1
117.07005	3.3
119.04965	3.0
119.08577	26.3
120.08958	2.0
121.06499	100.0
121.10142	9.0
123.04436	7.3
123.08044	7.5
123.11702	6.9
125.05981	16.8
127.07570	11.7
128.06247	3.6
129.06989	5.7
131.08562	7.9
133.06506	6.3
133.10135	24.2
135.04369	6.9
135.08058	14.2
136.08395	2.4
137.06024	4.1
139.07547	30.4
141.05513	3.8
141.80858	2.5
142.07751	5.0
143.07076	13.6
143.08513	13.3
145.01730	3.3
145.06535	2.4
145.10114	11.1
147.08089	7.3
147.10493	3.0
147.11673	55.4
149.09610	2.7
151.11208	3.0
153.07013	4.5
155.08549	3.7
156.09392	5.6
157.06532	2.9
157.08746	16.5
157.09969	17.3
159.06534	15.8
159.07678	2.2
161.06000	2.8
161.09702	3.9
161.13255	14.4
163.02788	6.0
163.14835	2.8
165.07048	11.3
165.12726	17.8
166.07686	3.8
168.05757	2.3
171.11665	18.0
173.09598	4.7
173.13266	3.9
175.11159	37.5
181.10095	4.7
183.08076	5.3
189.12750	32.3
193.12216	32.7
199.11166	31.6
205.03769	4.3
207.13840	12.6
211.07518	4.7
211.13260	18.0
217.12228	96.1
235.13275	73.4
253.14334	45.4
254.11435	2.3
271.06033	9.8
271.09747	7.6
271.14282	10.6
271.20602	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01847	0.9
55.05504	3.2
56.96562	1.2
57.03441	0.9
57.07070	1.0
60.51421	0.5
67.05501	5.0
69.07076	3.7
71.59849	1.0
71.60214	0.5
79.05485	3.1
81.03464	0.6
81.07048	7.6
83.08617	1.6
91.05479	3.0
93.07049	2.7
95.04973	2.7
95.08607	6.8
97.06538	0.9
97.10239	0.6
98.97582	0.9
99.57748	0.6
105.07019	3.0
107.04951	100.0
107.08594	3.6
108.05301	0.8
109.06559	1.2
109.10144	3.6
116.98573	0.9
119.04916	1.2
119.08562	3.1
121.10131	1.9
123.11658	1.2
131.08553	1.6
133.06453	0.6
133.10129	2.1
135.11693	1.0
137.05972	1.0
145.10123	2.1
147.11717	1.6
149.13271	1.3
153.01802	0.7
153.07018	0.8
157.10136	0.8
159.08055	2.0
159.11713	2.3
161.13297	2.7
163.14856	0.8
165.05484	4.6
165.06792	1.0
170.97559	1.3
173.13232	1.4
175.14822	1.0
177.00836	0.7
179.14375	0.8
187.14792	1.0
201.16406	1.8
211.07570	0.6
215.17928	1.4
271.06229	4.1
271.09451	3.7
271.19073	2.0
271.24142	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	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03934	3.9
55.01854	3.4
55.05254	1.9
55.05505	20.1
56.96560	3.5
57.03434	32.6
57.07067	6.0
65.03925	2.4
67.05502	72.6
68.05830	1.1
69.03410	2.1
69.07065	31.6
69.48315	10.4
71.04998	7.7
79.05491	45.0
81.07053	100.0
83.04957	7.6
83.08614	19.9
85.06522	5.0
91.05479	24.3
93.07040	69.1
95.04955	6.7
95.08598	28.3
97.06531	17.4
97.10143	3.1
98.97546	5.3
99.08067	4.2
99.72987	1.4
102.10415	1.2
105.07033	12.1
107.07862	1.8
107.08590	36.6
109.06498	3.6
109.10133	8.0
111.08077	13.1
113.05936	1.4
113.09636	2.5
116.98595	4.5
117.07011	8.9
119.08583	6.6
121.06462	2.2
121.09312	2.1
121.10139	21.6
123.08031	2.6
123.11678	3.8
129.07021	1.7
131.08562	11.6
133.10121	11.0
134.99661	2.0
135.08049	2.8
135.11690	10.7
137.06482	1.1
137.09572	2.7
137.13287	1.6
138.10419	2.6
139.11139	1.5
143.08636	2.0
145.10062	2.7
147.11664	2.4
149.01199	2.4
149.13261	49.3
157.10130	3.0
157.18274	1.1
159.11685	23.1
161.13249	2.8
171.11591	1.6
173.13278	2.1
175.14941	1.3
177.00664	3.1
177.12737	10.8
191.02277	2.0
193.15857	4.8
195.13754	12.0
199.14815	1.5
202.98581	1.4
213.16426	1.6
219.01953	1.4
244.99617	1.9
269.17456	40.6
269.22336	10.5
286.02637	1.3
287.11728	1.4
290.82449	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	7.1
55.05508	6.6
56.96556	19.3
57.03423	3.5
59.05003	20.0
60.04528	6.5
60.73492	2.7
61.02918	6.7
67.05499	6.9
68.90028	2.8
69.03419	5.8
69.07071	14.6
69.73708	3.1
70.06583	9.9
70.91483	7.6
70.91830	3.3
71.01348	5.6
71.04736	3.1
72.08119	3.9
72.93800	3.5
73.02901	3.7
73.06549	3.8
75.04482	10.2
80.05009	3.8
81.03414	4.8
81.07061	4.3
82.06576	4.9
83.04966	3.6
84.04477	7.0
84.08132	6.8
85.02890	6.1
87.04455	22.6
90.94816	4.2
91.05471	5.3
95.04926	3.6
97.02885	5.5
98.97591	17.0
100.03958	5.4
103.03934	17.5
107.04946	4.6
108.04482	13.5
108.08121	4.1
110.07143	8.1
116.98617	14.7
119.04912	6.9
120.08086	5.8
123.06363	3.7
125.10740	6.5
131.03413	10.7
131.97427	6.9
133.05057	3.8
134.99640	10.3
135.04393	4.5
136.06198	11.8
138.07732	5.1
138.53868	3.0
146.04478	12.9
146.99646	4.7
147.04395	12.0
153.04834	3.6
158.97453	3.6
158.99678	9.0
161.01176	5.7
161.04463	36.9
162.05452	28.0
162.55586	3.5
163.02669	3.2
163.03909	12.2
165.00696	3.1
171.05933	14.6
177.00706	14.5
177.04410	4.4
200.98555	7.9
203.05846	3.5
204.06291	3.2
208.06126	4.6
217.03421	100.0
218.99641	5.1
224.12790	3.3
235.04547	18.4
237.02827	7.4
246.99005	15.6
253.08208	20.1
270.13580	4.2
270.27890	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	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.3
54.44745	2.0
55.05513	22.4
56.96553	6.6
57.03432	31.1
57.07067	4.5
65.03920	3.7
66.92596	3.1
67.05500	76.5
69.07062	33.9
70.44464	6.2
70.44878	3.9
71.04980	5.4
71.08598	2.6
79.05058	3.0
79.05488	46.3
79.19328	2.0
81.03420	2.9
81.07053	100.0
83.04969	9.4
83.08620	18.9
84.10535	2.2
85.06495	5.3
85.23413	2.4
91.05474	33.5
93.07042	65.8
95.04955	10.3
95.08597	35.1
97.06522	19.3
97.10175	5.0
99.08084	3.4
104.99243	3.4
105.07042	17.1
107.08588	33.0
109.06478	3.7
109.10144	9.2
111.08080	9.8
113.92323	1.9
117.07018	13.0
119.08557	9.8
120.69439	1.9
121.10137	18.7
123.11684	6.8
129.06969	2.1
131.08557	14.1
133.10133	18.1
135.08081	3.1
135.11700	16.5
136.06143	3.3
137.06587	3.6
139.07512	2.7
143.08559	3.4
145.10101	6.5
147.11668	3.9
149.13245	36.3
151.11232	3.2
157.10098	8.1
159.11681	25.1
161.13263	2.8
171.11649	3.6
173.13315	2.9
177.12746	10.5
185.13173	3.3
190.82300	2.0
195.13814	12.7
199.14810	3.9
200.15508	2.9
203.00783	2.1
211.65154	2.1
213.16333	8.1
219.21939	2.4
227.18211	2.4
269.10666	3.9
269.17401	49.9
269.22415	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	269.1747
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
50.87000	2.1
53.03945	4.9
55.05509	19.3
56.96560	6.2
57.03439	28.5
57.07067	9.4
62.12439	2.5
67.05502	76.9
69.07070	32.3
71.05000	7.9
71.08628	2.9
71.12115	5.5
79.05492	37.3
80.65520	2.3
81.07053	100.0
83.04979	8.2
83.08624	18.2
85.06552	7.1
91.05477	25.4
93.07041	62.2
95.04975	8.5
95.08604	28.0
97.06550	13.8
97.10139	4.2
97.69884	2.4
104.99287	3.3
105.07026	16.7
107.08588	28.7
109.06530	4.8
109.10141	10.7
111.08089	9.8
117.07037	10.8
119.08569	9.7
121.10168	17.9
123.11697	5.1
125.09603	3.4
125.82101	2.8
126.15387	2.4
131.08569	17.1
133.10135	16.1
135.11717	12.2
136.06174	4.2
137.13258	4.4
142.07758	2.7
143.08563	8.8
145.10089	14.3
149.09547	2.1
149.13275	34.7
157.10146	11.0
159.11708	25.5
167.14188	2.5
171.11668	7.2
177.12744	7.4
185.13351	3.8
195.13757	11.7
199.14870	4.6
213.16451	12.3
251.19978	2.9
259.90033	2.7
269.17438	47.5
269.22150	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	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03933	4.5
53.73897	1.3
55.01851	5.6
55.05515	15.9
56.05875	1.4
56.96542	3.0
57.03181	1.8
57.03434	28.0
57.07070	3.7
62.69754	1.4
65.03923	5.4
66.43070	1.5
67.05502	73.3
69.03423	4.0
69.07068	18.5
70.39168	4.7
71.04983	17.4
71.08606	2.2
73.02910	2.0
79.05487	59.4
81.07053	100.0
83.04977	34.8
83.08607	8.0
85.02885	2.5
85.06547	10.0
91.05481	33.3
93.07038	70.5
95.04967	13.9
95.08605	39.0
97.06528	17.1
97.10189	1.7
98.97557	1.6
99.04432	1.9
99.08088	6.6
103.03921	2.7
105.06378	2.0
105.07026	23.7
107.04961	11.4
107.08586	28.2
109.06523	10.7
109.10124	4.1
110.07169	1.5
111.08072	7.2
113.05989	1.9
115.05443	2.6
116.98601	2.2
117.07008	13.1
119.08592	8.5
120.26433	1.4
121.06501	5.1
121.10144	13.9
123.08028	2.8
123.11730	1.7
125.06017	2.4
127.07551	1.5
129.05403	3.0
129.06931	1.9
131.08565	16.8
133.10135	15.6
135.08047	7.8
135.11685	20.4
136.06200	2.5
137.09570	1.6
145.06511	2.4
145.10126	2.6
147.11702	11.8
149.09520	3.5
149.13242	17.7
151.11165	1.5
159.11671	20.3
163.11143	1.9
165.12762	8.0
177.00636	1.6
177.12741	25.7
181.06386	1.9
187.11148	2.0
191.08388	2.3
191.10686	2.0
192.08916	13.4
195.13780	3.0
209.11687	1.6
212.42516	1.5
215.10626	2.2
220.08417	9.7
221.08989	1.4
226.06239	1.6
233.11656	2.2
237.08810	3.2
239.16238	1.9
246.26880	1.4
252.10999	13.2
269.09113	2.3
269.11438	3.6
269.13873	2.9
269.17432	80.5
270.17773	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.01129	0.5
53.03944	1.6
55.01873	4.5
55.05511	20.2
55.05785	1.1
56.96571	2.5
57.03436	35.3
57.07071	4.7
65.03942	1.5
67.05505	81.4
69.03423	1.1
69.07068	32.5
71.01371	0.9
71.04990	6.5
71.08624	1.2
71.59045	0.5
71.59476	0.6
73.02914	1.2
77.03937	0.7
79.05495	46.7
80.05820	0.7
81.03429	1.2
81.07058	100.0
82.07378	0.7
83.04988	10.2
83.08620	17.7
85.02900	0.6
85.06553	5.7
91.05482	24.1
93.07046	73.9
93.59018	0.5
95.04978	8.0
95.08608	28.8
97.06530	17.2
97.10181	2.9
98.97582	2.4
99.04437	0.8
99.08102	4.7
105.07030	11.4
107.04956	0.8
107.08598	39.2
109.06538	4.4
109.10159	7.0
111.04446	0.7
111.08082	10.0
111.11709	0.9
113.06006	1.0
113.09637	1.3
116.98611	1.7
117.06221	0.7
117.07024	10.2
119.08564	6.3
121.06512	1.5
121.10146	25.8
123.08059	1.6
123.11755	2.7
125.09637	1.1
127.07596	1.2
129.06982	2.1
130.07816	0.7
131.00185	0.8
131.08565	12.1
133.10135	11.4
134.99686	1.2
135.08063	2.4
135.11696	10.8
136.06172	1.0
139.07495	1.0
139.11185	2.8
142.07751	1.0
143.08554	2.2
144.09293	1.0
145.10097	3.9
147.11705	4.1
149.09604	1.0
149.13260	48.7
151.11214	1.2
157.10146	6.0
158.99709	0.6
159.11696	24.2
160.12190	0.6
161.13235	1.5
167.14297	1.2
171.11707	2.4
173.01208	0.6
173.13222	1.7
175.14760	1.1
177.00737	0.7
177.12761	10.5
185.13332	2.6
187.14868	1.3
191.02287	0.8
195.13794	13.8
199.14833	2.8
200.15485	0.6
201.16438	0.9
209.51031	0.5
213.07857	0.8
213.14713	1.2
213.16396	4.0
215.46892	0.5
227.18040	1.0
231.08966	1.1
241.19319	0.6
243.08948	0.9
251.20148	0.6
269.08209	0.7
269.10788	3.5
269.17468	39.8
269.22513	16.7
269.25482	0.9
287.11609	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03934	4.0
55.01865	2.5
55.05258	1.5
55.05507	24.3
56.96544	2.7
57.03185	1.6
57.03434	22.2
57.07068	2.0
64.71730	0.9
65.03927	2.5
65.66905	1.0
67.05502	82.9
69.03418	1.7
69.06719	1.8
69.07066	24.5
70.73097	3.2
70.73447	1.0
71.04990	6.7
73.02911	1.6
73.38339	1.0
77.03909	1.0
79.05490	48.4
79.05957	2.5
80.75933	1.3
81.03416	2.1
81.07053	100.0
83.04980	8.5
83.08614	18.3
85.06519	6.2
91.05477	37.8
93.07037	72.4
93.07540	0.8
95.04954	8.9
95.08599	28.5
97.06535	15.3
97.10143	3.0
98.97517	1.6
99.04462	1.5
99.08080	5.1
103.10063	1.1
105.07024	17.8
107.08588	34.2
109.06500	4.2
109.09489	1.2
109.10135	8.5
111.08081	9.4
113.05927	1.1
113.64713	1.0
117.07011	18.9
119.08562	7.5
121.06475	2.2
121.10145	16.2
123.08009	1.3
123.11700	4.4
129.07008	1.9
131.08560	18.1
131.27954	1.0
133.09229	1.7
133.10141	20.3
135.08032	2.1
135.11678	18.1
137.06483	1.1
142.07835	1.3
143.08546	3.1
145.10139	5.5
147.11655	3.5
149.09651	1.2
149.13252	35.1
150.13669	1.0
151.11174	4.1
157.10136	5.3
159.11687	35.8
159.13002	1.8
161.13206	3.8
167.14421	1.3
171.11668	3.7
173.13249	2.8
175.14807	1.6
177.12744	16.6
179.14262	1.3
185.13301	3.0
187.14774	1.8
195.13773	16.0
197.13133	1.2
199.14827	2.8
213.07925	2.1
213.14656	1.9
213.16374	4.3
227.17947	1.8
231.08896	2.9
268.77060	1.1
269.17477	55.8
269.22507	21.1
270.17780	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.02384	1.0
51.98261	0.8
53.03936	3.7
55.01860	2.4
55.05261	1.5
55.05511	21.4
57.03437	35.8
57.07072	4.4
59.04484	0.8
65.03937	2.1
65.90597	0.8
67.05505	74.9
68.05813	0.9
69.07067	34.4
71.01337	1.4
71.04988	5.6
71.08640	1.7
71.66010	0.8
77.03901	0.9
79.05490	43.2
81.03436	1.9
81.07056	100.0
82.07381	1.7
83.04984	9.6
83.08620	19.2
84.34038	0.9
85.06542	6.0
91.05477	24.3
93.07043	73.1
93.87703	0.9
95.04970	8.8
95.08604	24.3
97.06525	16.8
97.10162	2.9
98.97556	1.3
99.04461	1.2
99.08076	4.4
105.04497	1.2
105.07019	10.3
107.04908	1.0
107.08594	38.2
107.49165	0.9
109.06510	3.7
109.10149	6.8
111.08093	10.3
113.09618	1.7
117.07009	10.3
119.08565	6.9
121.06520	2.4
121.09304	1.7
121.10140	25.5
123.08095	1.3
123.11674	4.2
125.09667	1.3
129.07051	1.6
131.08572	11.6
133.10135	10.5
135.08009	1.9
135.11699	11.9
136.06183	1.3
139.11182	2.4
142.07741	1.0
143.08563	2.9
145.10124	3.7
147.11690	3.1
149.13254	49.1
150.13585	1.5
151.11176	1.2
157.10156	5.2
159.10439	1.4
159.11700	20.8
159.13019	1.1
160.11993	1.0
161.13277	2.1
167.14287	1.6
169.10004	1.1
171.11642	2.4
173.13277	1.8
175.14827	1.4
177.12740	10.0
185.13208	2.8
195.13812	12.6
199.14806	2.3
200.15483	1.5
201.16362	1.0
201.22426	0.9
209.06023	0.9
213.16574	4.4
227.17987	1.0
229.36461	0.8
241.12126	0.8
241.19469	1.2
251.20219	1.4
257.22305	0.8
269.08029	1.5
269.17484	36.6
269.22546	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	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03959	3.0
55.01873	3.5
55.05513	22.9
56.17208	2.0
57.03183	2.7
57.03442	38.4
57.04722	1.8
57.07066	3.0
61.24984	1.6
67.05505	82.8
67.05870	4.4
67.06927	1.7
67.23112	1.8
69.07066	37.1
69.42713	13.3
71.04992	5.4
79.05495	50.1
81.03403	2.8
81.07057	100.0
83.04985	9.4
83.08620	21.9
85.06551	6.0
91.05472	22.4
93.07042	76.1
94.07364	2.0
95.04970	8.4
95.08605	28.1
97.06542	16.4
97.10130	2.7
98.97598	4.6
99.08121	4.7
99.34353	1.7
105.07023	12.7
107.04899	2.1
107.08596	42.0
109.06486	3.6
109.10168	5.7
111.08078	10.4
117.07009	12.5
119.08601	6.7
121.10145	23.2
123.11653	2.4
125.06104	1.9
131.08595	12.0
133.10156	12.0
135.08113	2.7
135.11700	12.7
139.11172	3.0
145.10132	3.1
147.11679	3.4
149.13251	55.5
150.13748	2.2
157.10194	2.9
159.11676	21.4
174.40715	1.8
175.14807	2.4
177.12772	12.3
185.13281	2.4
195.13794	11.2
213.16447	2.6
244.45184	2.5
258.09277	3.4
266.46390	2.1
269.17474	53.3
269.22464	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03937	4.3
55.01867	3.5
55.05267	1.6
55.05512	25.1
56.96547	4.6
57.03433	28.5
57.07056	4.2
60.64605	1.2
63.73348	1.3
65.03931	2.2
66.16067	1.3
67.05502	89.4
69.03415	3.5
69.07063	28.9
70.75887	2.4
70.76257	3.9
71.04986	8.7
73.02912	1.5
79.05489	54.9
81.03420	2.2
81.07055	100.0
82.07352	1.9
83.04976	11.3
83.08615	24.8
85.02891	1.9
85.06525	7.6
91.05479	47.7
93.07037	77.0
94.07383	1.8
95.04961	14.3
95.08043	2.4
95.08607	33.9
96.93393	1.3
97.06531	29.2
97.10157	2.4
98.97577	6.3
99.08086	7.1
105.07026	22.2
107.08586	34.7
109.06499	7.3
109.10167	12.3
111.08090	11.1
113.05985	2.4
116.98634	5.7
117.07005	23.2
119.08578	9.2
121.10145	15.3
123.08085	3.1
123.11694	7.1
131.08566	23.1
133.10124	24.5
134.99644	2.6
135.08043	1.9
135.11685	18.7
136.06148	1.3
142.07744	1.8
143.08522	2.7
144.09360	1.6
145.10123	3.5
147.11697	2.9
149.13255	44.7
151.11150	5.9
157.10095	4.8
158.99614	2.0
159.11670	41.7
161.01270	1.5
161.13237	4.6
171.11649	3.6
173.01216	1.8
175.14734	1.8
177.00673	2.7
177.12740	23.3
179.14302	4.6
185.13313	2.3
193.15880	3.2
195.13776	11.9
199.14822	2.3
201.00745	1.3
213.14633	2.1
213.16426	3.0
238.09567	2.3
269.17465	78.3
269.22205	13.2
270.17764	1.5
281.95068	1.4
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	Arteincultone
Peak:m/z	Relative Intensity
55.05513	18.5
57.03434	37.8
57.07064	6.6
67.05501	85.4
67.25409	1.9
69.07066	30.8
71.04981	4.6
71.08615	2.8
71.60683	2.8
79.05489	46.7
81.03393	4.8
81.07051	100.0
83.04961	9.0
83.08613	18.2
85.06519	7.2
85.50644	2.0
91.05484	22.2
93.07041	71.3
95.04960	7.6
95.08607	23.0
97.06535	14.9
97.10162	4.1
99.08106	4.0
104.99223	3.7
105.07015	8.7
107.08581	38.2
109.06513	2.4
109.10149	5.3
109.51292	2.2
111.08082	11.2
117.07010	7.5
118.91279	2.1
119.08553	4.1
121.06538	2.3
121.10133	29.0
123.11733	2.8
131.08534	12.6
133.10112	7.7
135.11673	9.0
136.06139	4.7
137.06551	2.8
147.11690	3.6
149.13251	51.7
149.14371	4.1
159.11702	19.4
177.12766	9.4
195.13783	14.7
202.20007	2.3
269.17380	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	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
50.60911	2.7
55.01860	3.8
55.05507	25.7
56.96553	3.1
57.03432	30.5
57.07055	4.2
58.08679	2.2
63.92466	2.4
67.05499	84.1
69.07062	36.9
71.04993	7.1
71.08598	3.5
71.59326	2.3
79.05482	45.0
81.03416	3.4
81.07050	100.0
83.04965	12.0
83.08617	23.8
85.06551	6.7
91.05466	32.9
93.07034	76.5
95.04943	5.6
95.08601	31.1
97.06517	16.8
99.08095	4.8
104.99293	3.7
105.07038	16.0
107.08590	38.3
109.06494	6.1
109.10153	8.3
111.08080	9.0
115.05488	3.4
117.07014	9.6
119.08557	6.8
121.10143	24.0
123.11694	6.7
131.08562	13.6
133.10103	16.5
135.11647	14.6
136.06140	2.6
145.10117	4.2
147.11691	4.5
149.13257	35.9
157.10114	5.3
159.11710	24.4
161.13234	3.8
171.11662	3.9
173.13303	4.2
175.14972	2.4
177.12695	12.8
195.13771	12.6
213.16438	4.2
233.19194	2.7
269.17444	46.3
269.22516	13.4
280.37372	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.3
55.01859	9.5
55.05259	3.8
55.05509	45.4
56.96560	5.9
57.03434	39.5
57.07073	5.0
59.05002	2.7
65.03926	4.7
66.13692	2.2
67.05502	92.4
69.03424	55.2
69.07066	48.4
71.04995	23.7
71.08620	3.6
71.59892	3.2
73.02911	2.7
79.05057	4.0
79.05489	58.0
81.02961	4.5
81.03416	43.2
81.07055	100.0
82.04185	11.5
83.04982	41.6
83.08621	26.0
85.02910	16.8
85.06560	12.0
91.05473	49.4
93.07040	94.0
95.04974	22.8
95.08601	56.7
97.02876	6.9
97.06519	33.1
97.10145	4.0
98.97577	6.0
99.04441	7.1
99.08087	11.7
105.07033	35.1
107.04935	10.1
107.08584	35.6
109.06505	13.7
109.10166	13.0
111.04448	9.8
111.08078	79.5
113.05973	3.0
113.09626	7.6
115.05482	3.4
116.98601	4.5
117.07018	21.9
119.04897	3.7
119.08614	12.7
121.06541	13.7
121.10150	16.9
123.08060	10.7
123.11691	5.1
125.05982	8.1
125.09658	2.4
127.07558	10.6
129.06981	3.2
131.08572	21.2
133.06480	4.9
133.10161	15.4
135.08049	12.5
135.11684	13.6
136.06212	4.1
137.05898	5.4
139.07536	55.2
139.11169	2.7
141.09102	48.8
143.08565	4.2
145.06512	4.6
145.10120	19.3
147.11691	9.1
149.13252	34.8
151.07536	21.4
151.11180	5.4
153.09090	3.8
157.10168	4.0
159.08037	3.0
159.11691	42.5
161.13261	3.8
163.11185	18.8
165.12776	3.3
169.10081	5.5
170.93083	2.7
171.11612	3.4
173.09633	10.2
176.95934	2.4
177.12698	19.9
179.10831	2.5
181.12260	4.9
187.11171	8.7
191.10672	10.2
195.13802	9.4
197.09689	5.7
198.91299	2.6
205.12177	4.8
209.11725	30.6
213.16393	2.9
215.10719	7.8
233.11740	7.8
251.20219	4.4
269.07968	4.2
269.13889	17.1
269.17474	58.8
269.22549	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	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.24923	3.0
53.03953	3.2
53.92371	3.1
54.01316	2.8
55.01864	5.6
55.05506	34.1
57.03440	37.0
57.07066	13.6
63.97726	2.7
67.05164	6.5
67.05503	77.5
67.05868	4.2
69.07074	34.8
69.23113	2.9
71.04990	8.9
71.17596	7.3
71.17936	3.1
73.02922	3.6
79.05492	49.4
81.03418	4.0
81.07055	100.0
83.04979	13.4
83.08617	23.7
85.06543	5.6
91.05472	24.2
93.07043	76.4
95.04959	10.1
95.08603	35.6
97.06530	18.6
97.10143	3.8
99.08080	7.0
104.99269	8.9
105.07020	12.8
107.08589	38.2
108.07897	3.8
109.06533	4.9
109.10146	10.4
111.08095	13.7
117.07012	11.3
121.10129	22.8
123.11682	4.8
131.08569	14.3
133.10104	8.9
135.11684	10.6
136.06198	7.4
137.06546	6.8
149.13248	53.5
149.14339	4.0
159.11667	15.5
166.72946	4.3
177.12761	11.6
195.13818	11.9
211.10985	4.5
222.22197	3.2
251.20116	9.1
269.17398	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03708	1.2
53.03917	3.8
55.01855	6.1
55.05259	2.1
55.05507	32.3
56.96560	1.4
57.03189	2.1
57.03435	27.1
57.07053	3.9
58.03762	1.3
60.41645	1.3
65.03925	4.6
67.05501	82.5
69.03075	1.7
69.03422	24.4
69.07062	29.5
71.04989	11.9
71.08606	2.0
71.58957	1.3
71.59373	1.8
73.02901	2.2
73.27757	1.3
79.05486	54.4
81.03410	16.5
81.07050	100.0
81.16693	1.6
82.04169	4.2
83.04977	20.7
83.08613	22.9
84.38384	1.3
85.02875	6.1
85.06533	12.0
86.09647	1.6
91.04897	1.5
91.05475	40.4
93.07035	81.5
95.04958	15.7
95.08595	36.9
97.02862	3.7
97.06522	30.6
97.10124	1.8
98.97523	1.6
99.04433	5.4
99.08109	7.7
99.08654	1.4
103.03893	1.5
105.04483	1.6
105.07020	29.9
107.04920	4.3
107.08588	33.6
109.02829	1.8
109.06504	12.9
109.10164	11.2
110.07140	1.9
111.04418	6.5
111.07368	2.1
111.08077	35.1
113.05991	3.5
113.09592	3.1
115.05421	2.8
115.07596	1.5
116.98624	2.0
117.07015	23.1
119.04947	2.3
119.08576	10.5
119.09303	1.7
121.02949	1.7
121.06521	7.4
121.10130	13.0
123.04417	2.1
123.07236	1.6
123.08038	6.5
123.11695	4.6
125.05964	4.9
127.07539	4.9
129.06956	2.3
130.07791	1.3
131.08565	25.1
131.79727	1.5
133.06442	2.4
133.10123	20.9
134.99649	1.9
135.08060	10.1
135.11676	20.4
136.06133	3.1
137.05959	4.9
139.07535	20.9
139.11176	1.6
141.09085	15.7
143.06984	1.7
143.08588	1.8
144.09282	3.2
145.10101	15.2
147.11693	3.0
149.09572	3.4
149.13240	32.2
151.07498	8.3
151.11130	4.6
153.05540	1.7
153.09070	2.6
157.10077	4.5
159.11685	40.6
161.13173	4.7
163.11159	11.7
171.11690	2.8
173.09598	6.3
177.00681	1.6
177.12741	17.4
178.84914	1.4
179.08699	1.5
179.14331	2.0
181.04858	1.7
181.12242	1.7
185.13187	2.6
187.11157	5.9
191.10686	7.2
192.08856	3.5
195.13763	10.7
197.09531	1.5
199.14685	2.3
205.12170	4.0
209.11676	13.0
209.15201	1.8
213.11165	2.4
213.16391	2.1
215.10611	5.8
215.17892	2.3
220.08334	4.6
227.17659	1.6
233.11723	4.7
251.12791	3.4
251.16246	2.0
252.11040	4.3
269.08124	1.6
269.13791	9.4
269.17426	61.3
269.22064	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	267.1589
Annotation	Grangolide
Peak:m/z	Relative Intensity
51.16092	2.1
53.03932	5.8
55.01856	4.6
55.05513	12.0
56.96550	5.8
57.03429	23.2
57.07050	2.2
59.04987	4.2
61.02925	28.6
65.03934	3.3
67.05502	42.3
69.03427	39.4
69.07065	16.4
70.85110	4.2
71.04966	7.9
73.02905	5.0
73.31608	2.4
79.05491	33.2
81.03411	72.1
81.07056	54.8
83.04973	16.2
83.08595	8.7
85.02898	27.9
85.06528	4.6
87.00833	3.0
87.04469	16.4
91.03954	12.3
91.05476	62.3
93.06462	4.1
93.07037	65.1
95.04965	31.0
95.08604	24.8
97.02879	32.4
97.06502	9.6
97.10178	2.5
98.97535	4.9
99.04470	4.0
105.07024	70.0
107.04945	14.4
107.08587	40.9
108.04457	2.8
109.02827	7.6
109.04795	4.1
109.06530	14.3
109.10149	44.8
111.04460	11.1
111.08076	6.7
113.05975	2.5
115.03929	15.9
115.05409	3.6
116.98602	5.3
117.07011	17.2
119.04929	2.4
119.08575	43.0
120.08092	4.7
121.06473	12.1
121.10138	78.9
123.04426	4.8
123.08043	9.0
123.11696	9.4
125.05956	2.5
125.09562	2.6
127.03877	2.9
128.06152	4.8
129.06993	10.2
131.08559	24.7
133.04927	7.8
133.06454	5.4
133.10117	44.9
135.08025	9.1
135.11691	30.3
136.06190	12.9
137.05956	6.6
137.09586	13.2
138.09085	2.9
141.07008	2.6
142.07771	5.9
143.08531	11.1
144.09311	4.6
145.06438	4.0
145.10135	17.8
147.04398	2.5
147.08017	10.5
147.11661	36.2
149.09586	7.2
149.13266	13.8
151.07462	2.2
151.11185	3.9
155.08467	3.6
157.10138	18.4
159.06477	4.4
159.08075	7.6
159.11722	19.7
161.09576	8.2
163.07553	3.5
163.11176	5.4
165.07065	2.5
165.12817	3.9
171.08026	2.2
171.11647	6.3
173.08075	2.8
173.09554	2.6
173.13243	4.6
175.11165	20.8
177.12741	42.2
183.11626	3.4
185.08206	2.3
185.13182	6.8
189.12758	4.8
191.10570	3.6
191.14206	2.7
193.12251	7.2
195.11688	2.8
201.00719	2.3
201.12698	9.2
201.59145	2.5
203.14307	8.9
211.09512	2.6
213.12592	4.7
219.13762	17.1
231.13759	18.7
249.14862	19.4
267.15891	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
51.68356	0.2
55.01866	0.4
57.03429	0.6
63.06814	0.2
63.07398	0.2
69.03423	0.2
70.98878	0.4
71.01337	0.2
73.02889	0.3
85.02885	0.3
87.38630	0.2
94.04053	0.4
97.02894	0.2
112.05119	0.1
119.03534	0.8
121.05144	0.1
124.06448	0.2
130.34836	0.2
133.04881	0.2
135.39278	0.2
136.06180	100.0
137.04607	0.5
137.06532	0.5
151.04770	0.2
153.03572	0.2
167.04259	0.3
168.02716	0.2
168.04625	0.3
169.03001	0.2
204.29912	0.2
204.62773	0.2
268.10352	4.6
269.13602	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1037
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01877	0.2
57.03426	0.3
57.34534	0.2
59.66353	0.1
66.92849	0.2
69.03417	0.3
69.22374	0.2
69.71624	1.3
72.43665	0.2
74.84835	0.2
85.02903	0.2
93.66530	0.2
94.04054	0.3
119.03529	0.7
123.88060	0.2
130.40654	0.2
136.06178	100.0
137.04587	0.6
137.06619	0.2
142.64665	0.2
165.74744	0.2
268.10410	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	268.9828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83302	5.2
63.30191	5.3
70.48441	23.6
76.45251	4.9
81.90243	6.4
88.31068	5.9
96.73441	5.3
112.89582	9.8
124.22826	5.1
136.93971	8.2
147.20140	5.3
174.97552	6.6
228.16933	5.5
268.98224	100.0
269.00891	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	269.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.6
56.05063	2.1
56.96548	5.3
57.07059	4.5
60.04525	12.9
67.05488	6.6
68.67101	1.9
69.03420	3.5
69.07051	5.9
70.06585	3.7
70.21240	9.4
71.08620	2.5
72.04501	2.3
72.08154	2.8
74.02465	2.3
79.05473	4.6
80.04202	1.8
81.03402	7.3
81.04606	1.9
81.07038	3.9
82.06559	3.9
82.83405	1.6
83.04954	3.6
83.08604	3.6
83.30511	1.7
84.04493	2.9
84.08159	12.6
85.02918	2.8
88.63530	1.9
90.94728	1.8
91.05463	2.8
93.07054	3.9
95.04983	2.3
95.08608	3.5
97.06519	3.2
98.97582	3.7
105.07052	2.4
106.06337	2.9
109.10143	2.3
110.07161	10.5
111.04376	2.4
115.24535	2.0
119.04916	5.4
121.06516	2.8
121.10071	2.7
123.04484	2.2
124.07368	5.3
127.03918	3.2
136.06181	14.3
136.07547	14.4
137.06628	12.1
155.03398	6.8
161.01317	2.8
163.03883	7.1
165.05452	3.2
168.02684	100.0
169.04933	2.1
170.05757	18.9
171.07689	2.9
177.07848	2.8
178.08090	9.6
182.08110	11.5
196.49844	1.8
206.05991	2.1
206.11742	7.5
207.12094	51.0
233.08954	28.5
251.10144	13.5
251.14720	12.9
251.19920	3.2
257.76575	2.0
263.94937	2.2
269.11099	47.5
269.15643	14.8
269.24628	2.5
274.51938	1.9
283.56436	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
63.30262	3.0
83.04973	12.8
102.43614	3.0
122.05805	6.7
136.06181	28.1
138.05243	7.8
140.03197	5.0
151.04762	35.4
152.03108	16.1
167.02158	14.0
167.04272	100.0
168.00545	5.5
168.02667	63.6
185.05319	10.2
249.06213	19.7
249.08546	21.7
266.72562	3.6
267.07312	12.2
267.09671	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	267.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33439	2.5
57.09729	2.3
60.10910	2.3
62.80411	2.9
70.38664	7.6
83.04980	11.8
116.00884	3.0
122.05801	6.5
124.03709	2.6
136.06183	43.5
138.05244	6.5
151.04759	25.9
152.03177	18.7
167.02122	6.9
167.04282	100.0
168.00624	3.4
168.01129	3.2
168.02672	58.3
169.05876	3.9
183.77361	2.2
185.05334	10.0
187.08510	2.7
249.06268	9.2
249.08517	18.1
267.07220	8.2
267.09540	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	267.1337
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
51.92326	0.5
53.03954	0.5
56.05035	2.8
56.96560	0.5
57.03421	0.4
60.29344	0.4
66.22214	0.4
71.58515	0.7
71.58848	0.6
74.06074	8.7
77.22199	0.5
77.95264	0.5
81.07035	0.5
84.04496	24.0
85.02894	1.1
91.05465	2.6
93.07037	5.2
95.04945	0.7
102.05537	1.1
103.05468	3.5
120.08105	5.5
121.06493	100.0
122.06861	1.0
130.04996	15.1
136.06187	1.8
138.09134	17.2
163.03937	0.6
166.08640	3.4
206.11700	0.9
215.35614	0.5
218.61375	0.5
221.12856	5.8
250.10722	15.3
267.13379	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	265.2526
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03925	3.3
55.01854	1.4
55.05510	61.9
57.03428	2.6
57.07072	23.6
58.97377	1.3
65.03932	1.5
67.05503	62.6
69.07066	86.8
69.37305	15.0
71.04979	6.0
71.08636	16.2
71.25531	1.4
79.05059	2.8
79.05486	35.7
81.07055	67.7
83.04982	1.6
83.08618	59.0
85.06532	3.8
85.10173	7.7
91.05453	4.1
93.07042	40.7
95.04960	2.3
95.08604	75.4
97.06531	20.1
97.10165	42.3
98.20704	2.5
99.08118	3.7
103.06530	1.5
105.07018	1.9
107.08589	29.0
109.10152	32.9
111.08090	12.5
111.11723	14.2
113.09630	1.5
114.14113	1.5
121.10141	63.4
121.11032	3.1
121.50004	1.4
121.59711	1.5
123.11694	13.2
125.09630	3.6
125.13233	3.6
135.11688	39.1
137.13248	6.0
139.11179	3.5
143.14238	2.3
145.66876	1.5
149.13260	17.4
151.14784	7.9
163.14787	9.0
165.16386	7.0
177.16342	3.5
187.50270	1.5
189.00032	1.6
191.17908	3.0
208.80487	1.5
247.24211	40.9
265.25259	100.0
266.25702	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.31830	0.1
71.57999	0.2
82.99889	0.1
101.00860	1.2
119.01910	11.4
120.01991	0.2
122.97778	0.2
134.99893	0.6
137.02943	5.5
140.98776	0.2
142.03482	0.3
151.04584	0.1
153.00923	0.7
158.99863	1.0
160.04535	0.1
165.99731	0.3
166.25186	0.1
175.02937	0.3
176.02522	0.1
177.00940	25.0
178.01051	1.0
178.94301	0.1
179.00702	0.1
182.99806	0.4
193.04037	0.6
195.01988	0.7
200.02563	0.4
201.00874	1.2
202.01039	0.1
209.98718	0.1
217.04082	3.2
218.03760	0.2
219.01994	27.6
219.94675	0.2
220.02095	1.8
221.01912	0.5
224.49806	0.1
225.00824	2.2
227.99652	0.1
237.03148	0.1
237.95537	0.3
242.03638	0.6
242.96088	0.2
243.01944	7.1
244.02213	0.2
260.04636	0.4
261.03040	100.0
261.96442	0.1
262.03180	3.3
263.03503	0.5
266.03500	0.3
275.04541	0.3
284.04712	3.9
285.04752	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47556	1.0
53.03941	5.6
55.01878	1.7
55.05513	8.9
56.96563	3.0
57.03440	3.2
57.07064	1.4
61.02934	1.7
61.29612	1.1
65.03937	1.9
67.05505	33.6
69.03434	9.4
69.07063	12.4
70.06607	3.6
71.04993	3.6
71.18377	1.5
71.18686	1.3
72.26619	1.0
75.69621	1.2
79.05492	64.4
81.03416	10.7
81.06582	2.1
81.07053	37.0
81.07513	2.2
82.06599	1.2
83.04981	2.1
84.04527	2.6
84.08164	2.0
85.02904	3.0
85.06586	1.5
86.06065	11.1
86.09710	1.8
87.04465	18.4
91.05477	39.3
91.94761	1.1
92.05008	2.7
93.07041	62.4
94.07381	1.4
95.04962	27.5
95.08618	3.2
96.04478	1.5
96.08133	1.4
97.02892	13.8
97.06518	1.7
98.06075	3.3
98.97591	1.9
102.05562	1.9
103.05481	4.5
104.07099	23.2
104.10717	1.2
105.04533	1.8
105.07029	23.0
105.07661	1.6
106.06583	5.1
107.04952	21.6
107.08598	26.0
107.09274	1.7
109.02881	9.4
109.06520	29.4
109.07245	1.8
110.07251	1.0
110.09750	1.1
112.07600	1.1
115.05505	1.6
117.07016	15.7
117.07742	1.5
118.06594	1.4
119.08568	12.6
120.08131	4.2
121.06500	21.9
121.07341	1.1
121.10196	3.6
122.07175	2.9
122.10522	1.1
123.07432	1.3
128.06210	1.9
129.07021	2.4
130.07794	8.1
131.08540	1.3
133.10135	5.1
134.06020	12.3
135.08035	2.4
135.11697	24.4
136.06186	33.3
136.07193	1.8
137.06020	1.8
138.09224	1.6
143.08609	2.3
145.10120	38.8
161.05969	1.6
163.11186	22.5
163.12517	1.5
169.71214	1.1
171.05516	1.2
174.09125	2.1
183.12650	1.5
184.13397	3.8
196.09779	1.4
204.13936	3.8
219.23952	1.3
234.13496	6.7
237.02957	1.5
248.01181	1.1
248.09462	1.7
248.16560	3.1
249.10933	1.3
265.98175	1.1
266.10318	9.2
266.17639	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2525
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03947	1.6
55.05507	39.9
57.03431	2.8
57.07070	20.0
60.91986	1.5
67.05500	47.2
69.07064	71.6
69.94392	6.7
71.04986	3.6
71.08623	13.4
79.05490	21.9
80.25314	1.6
81.07054	55.8
83.04983	3.7
83.08135	3.1
83.08615	51.6
85.06523	4.7
85.10181	8.4
85.22285	1.6
91.05451	3.7
93.07043	31.0
95.04935	3.3
95.08603	55.2
97.06527	16.8
97.10163	32.3
99.08083	2.8
107.08597	25.2
107.42150	1.6
109.10147	28.6
111.08083	12.4
111.11708	13.2
113.09586	2.6
121.10131	49.1
123.11692	13.1
125.09579	2.3
125.13259	3.7
135.11679	40.9
137.13261	4.7
139.11171	2.8
149.13269	15.5
151.14822	7.7
153.12735	3.1
163.14807	5.7
165.16362	6.1
177.16365	3.3
191.17879	3.3
191.21681	1.8
206.64063	1.9
222.40724	1.6
247.24213	42.4
247.26762	2.0
257.84695	1.5
265.25250	100.0
266.25500	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	265.2524
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03927	3.9
55.05511	55.2
55.72007	4.0
57.03437	3.7
57.07077	27.6
65.03930	3.8
67.05503	56.6
69.06715	6.2
69.07066	81.0
69.07448	4.5
71.04977	4.6
71.08637	12.8
71.60224	4.4
78.43402	4.2
79.05490	31.4
81.07051	68.4
83.08612	60.3
85.06554	6.4
85.10194	9.2
91.05450	4.9
93.07048	42.2
95.05029	4.7
95.08604	69.8
97.06522	16.9
97.10163	28.9
104.12955	3.0
105.07053	7.1
107.08591	37.1
109.10137	28.1
111.08076	13.5
111.11703	14.7
121.10138	59.8
122.07172	3.8
123.11718	12.3
124.19808	3.4
135.11687	37.7
137.13243	8.0
139.28523	3.2
142.19901	3.2
149.13235	18.9
151.14851	4.4
165.16414	5.6
241.98622	3.6
247.24220	43.1
265.14359	3.8
265.17838	6.0
265.25244	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1798
Annotation	Clitocybulol B
Peak:m/z	Relative Intensity
50.44881	0.6
55.01843	0.7
55.05495	2.1
56.96561	0.8
57.07067	1.4
67.05511	3.6
69.03391	0.8
69.07064	9.6
70.33923	2.6
79.05489	1.9
81.07050	7.8
83.08619	1.5
85.06540	1.2
91.05465	2.6
93.07040	3.1
95.04967	1.2
95.08605	4.8
97.06565	0.9
105.07005	2.9
107.08584	2.9
109.02862	0.7
109.06504	2.8
109.10166	3.5
117.07020	1.8
119.08578	2.6
121.10144	1.8
122.07159	3.6
123.04350	0.9
123.08077	2.0
123.10809	1.0
123.11705	16.5
125.05993	2.0
129.05392	0.7
129.10109	0.7
131.08571	2.9
132.69237	0.8
133.10123	2.1
135.08025	2.0
137.05956	2.0
137.09648	1.5
137.13232	1.3
144.04732	0.7
145.10098	2.8
147.08076	0.7
147.11684	1.3
149.09613	1.5
151.07538	3.1
153.05388	0.8
155.06996	1.5
159.07974	0.9
159.11739	0.9
163.07504	1.8
165.09129	1.6
167.07036	1.3
169.08609	1.6
173.13281	0.7
177.09113	1.9
178.94972	0.8
179.10701	1.7
183.10159	1.4
187.14795	2.2
191.10750	1.4
197.11719	0.7
205.12262	1.0
215.14192	0.9
218.94389	1.2
247.17046	3.4
265.17966	100.0
266.18271	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1545
Annotation	H-Phe-Val-OH
Peak:m/z	Relative Intensity
55.05510	0.6
56.05031	0.3
57.03444	0.3
67.05479	0.4
69.03419	0.5
69.71950	1.3
70.06589	0.5
71.04983	0.2
72.08153	4.8
73.02908	0.3
79.05477	0.4
81.07047	0.4
84.04497	0.3
84.08144	0.4
85.02902	0.6
86.09692	0.7
91.05459	1.3
93.07027	1.9
95.04956	0.6
95.08596	0.2
97.02876	0.5
99.04460	0.2
103.05465	5.8
105.07030	0.6
106.06557	0.2
107.08640	0.3
109.02938	0.2
109.10173	0.2
110.07156	0.2
115.03973	0.3
116.58163	0.2
117.07053	0.3
118.06526	0.3
118.08638	1.6
119.08564	0.5
120.08100	100.0
121.08439	0.7
122.07144	2.6
131.08601	0.2
135.08098	0.4
136.07526	0.2
144.04733	0.9
145.06595	0.2
159.11673	0.3
161.04477	0.2
161.09564	0.2
163.03879	0.4
175.07608	0.3
181.05049	0.5
187.07576	0.3
192.66896	0.2
201.12865	0.2
218.09596	0.2
219.14946	1.8
265.03891	0.2
265.06546	0.3
265.12939	0.2
265.15515	4.0
265.18188	0.2
269.12646	0.2
270.96472	0.2
286.21445	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1546
Annotation	Val Phe
Peak:m/z	Relative Intensity
53.03928	0.6
55.05507	12.9
56.05033	0.7
56.96537	0.6
57.03424	0.3
57.05799	1.0
67.05511	0.4
68.05078	0.3
69.03421	0.6
69.07071	0.3
70.06590	0.8
70.73043	0.9
72.08150	100.0
73.08472	0.7
75.56310	0.3
81.03407	0.7
81.04529	0.4
81.07059	0.6
83.04977	0.4
84.08127	0.8
85.02917	0.6
86.09700	0.7
91.05478	0.8
93.07055	0.6
95.04998	0.3
95.08604	0.5
98.97603	0.6
103.05492	0.6
105.03362	0.5
105.07028	0.6
116.98639	0.6
119.08520	0.4
120.08100	15.7
122.07120	3.3
123.08066	0.3
129.10223	0.5
131.08546	0.4
136.06223	0.4
137.05962	0.6
144.04788	1.0
149.05977	0.4
157.56648	0.3
164.81656	0.3
166.08632	10.7
177.05457	0.4
181.08691	1.0
198.74620	0.3
201.08899	0.4
219.15172	0.6
229.12427	0.3
235.63568	0.3
265.15448	2.6
265.18103	0.5
265.21793	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1799
Annotation	Pallescensolide
Peak:m/z	Relative Intensity
55.01846	3.6
55.05512	4.8
56.96543	2.1
57.03419	0.9
57.07056	1.4
61.75294	0.9
63.22176	0.8
67.05515	5.3
69.03410	1.1
69.07024	3.1
69.69595	6.2
71.04993	100.0
71.08596	2.4
73.06469	0.7
79.05456	3.2
81.03384	1.3
81.07056	6.3
83.04951	1.1
83.08566	1.2
91.05450	3.7
93.07034	6.6
95.04925	2.0
95.08609	5.2
97.06519	1.2
97.10147	0.8
98.21475	1.4
98.97572	0.9
99.04455	48.5
105.07000	3.8
107.04934	1.3
107.08600	6.7
109.06545	4.0
109.10144	4.2
111.04405	1.0
113.68852	0.8
116.98579	1.5
117.05499	5.8
117.06969	2.4
119.08539	3.2
121.06490	2.0
121.10094	3.7
122.07164	8.0
123.08061	2.0
123.11628	0.9
129.06941	0.9
131.08522	3.0
133.06465	1.0
133.10075	1.6
134.99634	1.3
135.08066	5.0
135.11635	1.6
144.04735	1.9
145.10094	4.2
149.09549	3.9
149.13214	1.0
159.11629	1.4
163.11185	1.8
167.08571	1.2
167.14284	1.2
169.10043	1.4
173.05905	1.3
179.08556	1.0
179.14256	1.9
181.10034	2.2
187.11108	1.2
191.10577	2.7
195.11595	2.5
204.08246	0.8
204.43423	0.9
205.12494	0.8
205.15889	20.3
209.13223	2.6
219.08099	1.0
223.14948	1.0
237.09163	1.1
243.67662	0.9
247.16890	2.4
265.08466	2.0
265.11902	1.6
265.17886	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03464	1.6
55.01847	0.6
55.05501	1.1
56.05024	0.8
56.96565	2.4
57.07077	0.6
66.52892	0.4
66.81219	0.4
67.05490	1.5
68.05032	0.8
69.03419	1.2
69.07070	0.6
70.02950	0.5
70.06578	1.6
71.58347	0.5
71.58752	0.7
72.04520	1.3
72.08154	9.0
73.28645	0.5
74.02441	6.5
77.13110	0.4
79.05487	0.5
80.05014	1.6
81.03455	0.4
81.04540	13.6
82.02941	2.7
82.06577	1.8
83.04990	2.1
84.04519	1.6
84.08144	15.1
85.02917	0.8
85.06550	2.4
86.06052	0.5
86.09702	0.7
88.04013	0.6
90.71355	0.4
91.05468	0.5
93.07016	0.5
94.06548	0.5
95.06051	0.5
96.04488	3.0
98.97580	0.9
99.05578	3.2
100.03975	2.2
100.07602	1.1
102.05555	0.6
102.09176	13.5
108.08224	0.4
109.99143	0.6
110.06007	1.2
110.07185	0.9
112.07590	1.0
113.02956	0.9
114.05549	0.8
117.06628	0.4
118.05007	2.3
118.08672	0.4
120.08043	0.5
120.10226	12.2
122.07152	100.0
123.07465	0.6
126.03797	0.6
128.00200	1.1
128.01074	0.5
130.05043	0.7
144.04785	28.6
145.06061	1.1
146.01219	0.7
146.04491	4.4
156.98109	0.5
157.03453	0.5
163.02719	0.9
163.07220	0.8
165.10281	0.8
166.08644	1.3
183.11307	3.2
184.09732	2.4
201.12306	0.6
202.10815	0.9
211.10779	1.0
212.04167	0.6
212.09209	1.0
229.11855	4.3
230.10355	1.3
237.05533	0.7
247.12860	2.6
248.11295	1.5
265.11334	1.3
265.13968	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	265.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89933	2.5
54.03461	2.6
55.05504	3.1
56.05024	8.1
57.07074	3.5
58.06604	13.3
59.07369	5.6
60.08162	29.0
67.05495	5.7
69.03417	3.8
69.07060	11.8
70.02931	2.8
70.05556	11.2
70.06565	4.1
70.91586	2.0
71.04948	3.1
71.08624	5.7
72.04510	17.4
72.08149	9.8
73.02910	7.2
73.08925	7.2
74.02435	64.3
74.06076	20.3
74.09698	12.1
75.03219	11.7
82.02934	11.3
83.03720	27.4
84.04498	13.2
84.08139	17.9
85.06544	12.8
86.09205	4.5
86.09699	55.2
87.03242	4.0
88.03970	3.6
88.11288	3.2
91.05486	6.0
93.06998	3.2
95.04969	3.6
95.08598	2.7
96.04487	6.1
98.02413	2.8
99.05576	6.7
100.03964	12.5
100.07599	16.9
102.05530	25.7
102.09184	8.9
103.07571	3.7
105.07048	5.3
109.06560	2.8
110.06036	4.5
112.04017	3.2
115.06313	10.1
117.07063	2.4
118.05009	39.1
119.08566	5.0
120.08097	27.4
120.10216	86.3
121.06492	3.7
122.07117	13.4
122.09641	4.0
128.00185	2.8
130.08635	100.0
131.09431	3.5
135.08060	7.2
138.05499	23.2
139.08678	3.9
139.24057	2.1
140.09451	18.3
144.02876	3.8
144.04750	4.2
144.10190	44.8
146.04489	22.9
147.08070	5.0
153.49030	2.3
154.11009	18.0
155.08167	3.7
159.05305	3.4
159.12022	7.2
166.08617	4.1
167.11787	7.2
172.05978	3.4
175.07469	6.1
175.11160	3.6
176.07793	3.1
181.98553	2.4
183.11316	4.4
184.09676	2.8
186.07625	5.9
187.08391	4.0
187.11124	3.8
201.10182	3.9
201.12337	83.1
202.06993	4.6
203.10500	8.6
208.06879	6.7
213.12315	7.7
214.10742	4.8
214.81151	2.5
218.12552	4.5
219.07343	7.7
219.09755	6.6
219.13406	4.3
229.12088	3.5
230.10136	5.5
231.13382	5.7
233.09032	3.2
236.10039	9.7
247.12886	26.0
248.11284	32.3
250.11667	6.0
265.13885	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	15.4
56.96555	18.1
57.03436	29.6
67.05500	7.6
69.03428	75.9
69.07057	10.1
69.54914	38.4
71.01347	14.1
71.05011	4.7
71.96078	3.9
73.02904	19.7
79.05506	8.5
81.03410	20.0
81.07049	17.5
85.02901	46.9
85.19142	4.7
87.00816	21.7
87.04446	11.4
91.05474	16.5
93.07020	14.1
95.04959	4.8
95.08589	13.0
97.02885	66.6
105.01853	13.2
105.07028	16.9
107.08558	8.8
109.10142	7.9
111.08063	5.6
115.03918	100.0
118.25304	5.0
119.08591	12.6
121.10152	9.1
122.07141	47.8
122.61270	4.3
125.02355	23.4
131.00179	15.9
131.08551	14.0
133.04950	19.9
133.06561	7.2
133.10069	4.9
144.04706	9.2
145.10089	7.3
149.01221	20.1
155.08635	6.3
161.04424	25.1
161.05676	6.1
173.06027	5.8
194.42545	4.3
195.11746	9.1
197.13387	5.8
201.03984	13.4
205.08492	6.2
209.13283	11.1
223.14799	10.0
237.08965	6.0
250.35437	4.2
265.15768	5.5
265.19510	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	6.7
55.05505	13.6
56.96565	33.2
57.03431	6.8
57.07075	8.5
65.03954	7.4
67.05510	28.7
69.03423	10.9
69.07067	28.1
71.04991	8.6
79.05490	22.4
81.03430	10.3
81.04552	9.1
81.07054	44.0
83.04979	8.3
83.08639	9.5
85.02932	5.5
85.06516	11.6
91.05478	19.2
93.07036	28.9
95.04961	9.4
95.08625	31.4
97.02916	6.2
97.06523	17.4
98.97563	14.2
99.04440	5.4
103.05454	9.9
105.07010	27.9
107.04958	9.6
107.08570	32.3
109.06513	10.1
109.10131	20.2
115.05441	29.4
116.98576	6.7
117.03361	5.6
117.07005	54.4
119.08602	27.1
121.06467	6.3
121.10146	14.2
122.07152	68.8
123.11717	8.1
128.06233	5.1
129.06998	11.5
129.48094	4.3
131.08583	16.4
133.10129	18.0
134.99661	7.5
135.08057	7.0
135.11678	9.8
140.42952	4.2
141.06960	9.7
143.04953	5.5
143.08589	5.9
144.04784	14.3
144.05774	5.7
145.02843	7.2
145.06474	89.5
145.10141	16.2
147.08073	6.9
147.11682	10.9
155.06090	8.4
155.08556	9.6
156.05704	18.8
157.06544	8.5
157.10069	6.2
159.08054	13.4
159.11673	10.3
161.01184	9.5
161.05983	12.5
163.03903	15.3
163.11127	6.6
165.06996	7.6
167.07053	14.0
167.08562	9.2
169.10056	8.2
173.02414	6.5
173.05984	100.0
173.13295	7.9
175.07541	7.8
177.00854	6.0
179.08505	10.8
180.09329	5.2
181.04887	4.9
181.10146	13.2
187.07512	12.4
189.00674	7.9
190.06264	41.3
191.08533	6.1
193.08633	6.1
194.10887	6.0
195.11662	14.8
202.06342	7.1
203.07022	14.4
205.08580	76.1
209.13278	24.8
215.07021	12.8
217.08601	54.0
219.10182	10.0
223.14810	20.2
235.07545	7.2
235.09619	8.7
247.09651	15.4
247.20641	11.6
254.06335	6.2
259.09747	9.3
265.08414	14.5
265.10855	6.9
265.12225	4.5
265.19666	52.3
265.21893	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	265.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03461	1.4
55.05474	0.7
56.05033	1.2
56.96557	1.6
59.08461	0.5
67.05497	1.4
69.03447	0.6
70.02950	0.5
70.06591	1.0
71.22173	1.1
72.04498	1.4
72.08150	8.4
74.02440	5.4
80.05003	1.3
81.04539	15.1
82.02923	2.2
82.06573	2.6
83.04962	1.3
84.04486	1.5
84.08140	12.2
85.02917	1.1
85.06544	2.4
86.09727	0.4
88.03957	0.6
96.04490	2.5
97.02923	0.5
97.99192	0.8
98.97590	1.3
99.05601	3.1
100.03957	1.6
100.07635	0.8
102.05583	0.6
102.09170	12.0
108.08099	0.8
112.07573	1.0
113.02956	1.5
116.98649	0.5
118.05004	1.9
120.10214	11.5
121.01647	0.7
122.07145	100.0
126.03719	1.5
128.00226	0.8
136.07607	0.6
138.09114	0.9
144.04776	28.5
145.06071	0.8
146.01195	0.5
146.04459	4.0
147.88960	0.5
152.07086	0.5
158.01332	0.5
158.04526	0.6
163.02728	1.4
164.33162	0.5
165.10266	0.6
166.08636	1.3
183.11287	2.1
184.09740	2.0
201.12321	0.6
202.10747	1.3
211.10788	1.1
212.04063	0.7
212.09108	0.8
219.48599	0.6
229.11842	4.1
230.10252	1.2
247.12968	2.7
248.11302	1.3
265.11279	1.3
265.13959	4.4
283.05997	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.39981	1.6
53.03927	2.2
54.84502	1.5
55.05512	17.2
57.07078	13.2
65.03926	2.0
67.05505	88.5
69.06720	1.8
69.07065	19.7
69.31275	6.3
69.31694	10.0
71.08614	7.1
79.05490	22.3
81.07059	100.0
83.04971	2.1
83.08624	14.1
83.51729	1.5
85.06541	3.6
85.10186	1.8
91.05470	19.1
93.07040	25.3
95.08609	79.7
97.06543	9.0
97.10148	7.1
99.08105	5.3
105.07031	11.4
107.08591	12.1
109.09451	3.2
109.10159	42.3
111.08073	3.6
113.09657	3.0
118.52657	1.6
119.08559	12.4
121.10145	15.4
123.08041	3.0
123.11707	22.8
127.11131	1.8
133.10121	14.2
135.11670	10.4
137.09621	2.2
137.13248	5.7
141.12764	2.5
147.11684	10.2
149.13232	6.7
151.14812	6.2
161.13269	12.6
163.14833	7.0
165.16438	8.1
175.14859	8.2
179.17984	3.8
189.16437	2.9
234.79120	1.5
242.75192	1.7
245.22649	27.2
263.17853	2.6
263.23706	60.4
274.65866	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.054
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	1.2
56.96561	100.0
57.03453	1.3
68.05041	1.4
69.03436	2.0
70.06592	2.3
70.69823	3.6
71.95263	1.3
72.08166	2.3
72.96043	3.4
73.51376	1.0
74.02435	5.2
74.06078	1.8
74.97581	1.4
81.03410	2.2
83.00471	1.1
83.04966	1.3
83.06107	1.0
83.97628	1.9
84.04501	4.6
84.08127	2.5
85.02908	1.4
86.09699	4.4
91.05485	1.8
92.98544	1.0
93.07039	1.2
94.06592	1.4
95.04983	1.5
95.06070	1.3
98.06042	1.8
98.97574	4.8
107.04990	1.1
110.06011	1.0
110.07170	2.4
114.05530	1.6
116.98613	9.0
117.03379	2.0
120.08114	2.6
130.05022	1.2
130.06528	1.0
132.08034	1.2
134.05952	1.1
134.99669	8.5
135.04381	1.9
136.07628	1.2
142.04977	1.0
143.00179	1.3
145.02864	1.0
146.05908	1.0
153.00694	2.5
159.09120	1.2
161.01234	1.8
162.03067	1.5
162.05447	1.2
162.97855	1.5
163.03844	6.1
164.11790	1.0
167.03752	2.1
173.10675	1.2
176.03830	14.8
177.00703	1.5
178.05383	12.3
181.01781	1.6
183.03395	5.3
183.04802	0.9
191.11940	1.5
192.03296	1.4
194.04869	10.3
195.03346	1.0
196.06444	15.6
196.08081	1.3
201.04352	8.6
202.10678	5.0
204.03384	4.2
208.02856	4.7
210.04385	2.3
218.12808	3.2
222.04370	65.9
226.03828	5.8
240.05426	70.0
245.03586	1.1
245.06023	3.3
263.07037	1.4
264.05460	15.8
264.13342	3.1
282.06198	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.64795	0.8
53.03925	2.6
55.01857	1.7
55.05259	1.3
55.05504	15.4
57.03413	1.9
57.06821	0.9
57.07074	11.4
57.56282	0.8
65.03932	2.0
66.26360	0.7
67.05499	82.6
69.03407	1.0
69.07060	15.8
69.34544	6.6
71.04980	1.6
71.08626	6.0
79.05058	1.7
79.05489	22.2
79.53384	0.8
81.07050	100.0
83.04974	1.1
83.08614	12.9
84.08100	0.8
85.06520	4.0
85.10167	3.2
87.49722	0.8
90.52721	0.9
91.05470	15.1
93.07034	22.4
95.04963	2.1
95.08597	72.8
96.18163	0.7
97.06064	0.7
97.06527	6.9
97.10144	7.1
99.08061	5.1
104.99261	5.5
105.07014	11.8
107.08583	12.3
109.06504	1.5
109.10148	40.8
111.08092	5.3
111.11710	1.5
113.09634	2.8
119.08580	9.4
121.10133	13.7
123.08069	2.5
123.11695	18.3
127.11161	1.9
133.10118	12.4
135.11697	10.1
137.09608	1.6
137.13245	7.1
141.12723	2.7
147.11659	10.4
149.13220	8.7
151.11099	1.9
151.14795	7.3
161.13232	10.7
163.14789	8.8
165.12805	0.9
165.16415	7.4
175.14844	6.0
177.16394	2.2
179.17935	4.0
181.15887	1.2
189.16335	2.5
203.17892	1.3
211.99162	0.9
217.19603	1.7
245.22617	29.1
246.22998	1.2
247.11685	1.0
263.14679	2.3
263.23679	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03931	2.4
54.12242	1.0
55.01853	1.0
55.05264	1.1
55.05510	16.9
57.03427	1.5
57.07075	12.7
65.03915	1.4
67.05503	90.0
69.06728	1.1
69.07069	16.9
69.35599	9.9
71.04993	1.6
71.08624	7.0
79.05490	21.7
81.07056	100.0
83.04971	3.2
83.08150	1.0
83.08616	14.8
85.06523	4.3
85.10173	3.2
91.05475	19.5
93.07042	24.3
95.04967	1.5
95.08603	85.2
97.06538	5.5
97.10165	7.6
98.21468	1.8
99.08096	5.9
104.99289	2.0
105.07034	11.4
107.08582	15.4
109.06536	1.6
109.10152	44.4
111.08086	5.3
111.11709	2.2
113.09621	3.9
119.08580	12.4
121.10130	16.2
123.08053	2.4
123.11700	21.0
127.11231	1.6
131.08556	0.9
133.10127	15.6
135.11682	10.8
137.09616	2.2
137.13245	8.1
141.12744	1.3
147.11676	8.8
149.13243	10.1
151.11168	2.5
151.14793	8.8
161.13271	12.8
163.14818	8.8
165.16402	10.8
167.24954	1.1
175.14809	10.3
177.16412	2.2
179.17914	4.0
181.15892	2.2
184.25436	0.9
189.16400	3.6
203.17953	1.6
204.13452	1.4
233.10051	1.2
245.22641	33.8
247.11584	3.8
248.12233	1.9
263.14737	19.3
263.23691	70.4
264.24030	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2004
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03939	3.6
55.05513	20.1
56.96558	4.7
57.07063	4.0
63.11476	2.4
67.05504	28.9
69.03426	2.5
69.07084	10.7
69.71169	12.8
79.05492	70.2
81.03374	2.4
81.07053	36.7
83.04980	2.7
83.08617	10.9
85.06533	2.8
91.05477	31.5
92.24368	2.3
93.07040	100.0
94.06545	6.2
95.04966	14.9
95.06823	2.3
95.08611	31.4
97.10142	3.3
98.20837	4.8
104.99274	68.1
105.07027	19.7
107.08591	66.1
109.06505	9.6
109.10160	13.1
110.49516	2.1
111.43604	2.3
113.06189	2.5
117.07013	4.2
118.38969	2.4
119.08584	13.3
121.06482	9.3
121.10142	72.5
123.08083	3.2
123.11700	2.4
129.06996	2.7
131.08588	3.9
133.10120	15.7
134.13977	2.3
135.07993	3.9
135.11694	44.1
137.09492	2.5
143.08536	2.9
145.10112	5.5
147.11659	8.5
149.09612	4.0
149.13216	14.8
157.10124	2.7
159.11761	3.4
161.09552	2.9
161.13242	4.2
164.85631	2.3
171.11682	2.5
179.89021	2.4
181.12221	3.7
185.13226	3.4
189.12756	2.7
198.98898	3.3
199.14801	3.3
203.14227	2.6
207.13887	3.3
217.15739	2.7
219.99658	2.4
221.15227	2.4
227.17958	3.4
245.15477	2.4
245.18776	3.1
263.05783	3.8
263.16913	3.5
263.20074	63.4
263.25879	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	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05507	17.2
57.07064	11.1
63.84649	1.9
63.89985	1.9
67.05502	90.3
69.07066	18.2
70.43504	6.6
71.08607	5.1
79.05489	21.7
81.07052	100.0
83.08595	15.5
85.06535	4.0
85.10191	3.3
91.05480	20.1
93.07040	23.0
94.48815	2.0
95.08601	88.1
97.06517	9.5
97.10169	6.1
99.08093	6.7
105.07046	10.9
107.08575	16.3
109.10147	45.3
111.08079	4.6
113.09638	3.9
119.08565	11.7
121.10140	16.2
123.08072	1.9
123.11688	18.4
133.10123	15.3
135.11702	10.2
137.13263	8.6
147.11705	11.5
149.13246	8.3
151.14830	6.7
158.33009	2.1
161.13245	11.9
163.14854	5.7
165.16412	8.0
166.30617	2.1
175.14813	7.9
179.17952	4.5
189.16344	4.9
203.18199	2.5
245.22667	31.7
263.23672	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.25807	0.7
53.03938	1.4
55.01879	1.7
55.05508	15.5
57.03429	2.2
57.07073	13.5
65.03929	1.7
67.05502	84.8
69.06710	1.4
69.07067	16.7
69.44837	3.5
69.45264	3.1
71.04987	2.5
71.08636	5.3
71.23000	0.6
79.05492	23.5
79.05957	1.3
81.07054	100.0
83.04964	1.6
83.08619	14.2
85.06551	4.1
85.10182	2.9
91.05481	18.0
93.07036	22.5
95.04968	2.0
95.08603	83.4
97.06532	7.9
97.10159	6.3
99.08095	4.5
104.99258	2.2
105.07030	11.0
107.08586	11.9
108.12612	0.6
109.06476	1.4
109.10155	43.7
111.08078	6.5
111.11655	1.2
113.09620	3.3
117.07037	1.0
119.08575	10.5
121.10136	14.8
121.11015	0.8
123.08099	1.9
123.11703	20.6
125.09629	0.8
127.11224	2.2
133.10124	16.0
135.11694	10.0
137.09605	1.8
137.13239	6.8
139.11145	0.7
141.12730	2.2
147.11681	11.3
149.13239	8.2
151.11206	0.9
151.14813	7.3
155.14304	0.9
161.13258	9.4
163.14807	8.5
165.12682	1.1
165.16371	9.6
175.14815	6.3
177.16261	1.1
179.17921	2.9
181.15900	1.2
189.16341	3.7
203.17940	2.4
205.19586	0.8
217.19438	1.4
245.22638	30.5
263.23688	69.9
264.24252	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05267	1.7
55.05510	24.4
56.96555	6.6
58.06567	2.2
61.33450	1.6
65.11958	1.4
66.50450	1.5
67.05499	2.3
69.03396	2.3
69.07082	2.1
70.02945	1.8
70.06574	7.0
71.22794	3.9
72.04512	4.8
73.02905	1.7
74.02440	23.0
78.77323	1.6
79.05476	2.7
80.05013	2.6
81.03384	1.8
81.07062	4.7
82.02935	7.4
82.06571	1.7
83.08146	2.0
83.08620	29.3
84.04488	5.3
84.08124	3.3
85.02889	4.1
86.09705	16.3
91.05458	4.7
92.10321	1.6
93.07044	2.1
94.06544	2.1
95.04935	3.2
95.08595	1.8
96.04446	1.8
98.06079	2.9
98.09700	11.0
98.97569	5.5
99.05572	10.0
99.10436	2.4
100.03983	5.6
100.11253	100.0
103.05519	2.1
105.06936	2.0
107.04959	2.2
109.06508	2.6
109.10114	2.8
116.98645	3.8
118.04992	7.6
118.12263	4.8
119.01923	3.9
119.08593	2.4
120.08109	3.7
120.61029	1.8
122.06011	1.8
123.04415	2.2
126.05550	3.2
128.03468	2.1
130.04965	1.8
130.06531	3.6
131.01897	2.0
134.99658	1.9
136.03970	3.0
136.11230	4.8
142.18762	1.6
143.01874	3.0
144.08090	3.5
145.02893	2.0
145.06123	2.5
146.04494	18.7
146.99667	2.2
153.13879	2.7
156.08092	2.0
158.05940	2.1
161.01295	2.3
161.02943	10.3
163.03931	6.0
163.07185	3.6
163.74443	1.6
164.10648	5.7
173.02939	3.2
177.00720	2.4
181.13339	18.7
191.04054	2.2
199.14404	2.0
200.07031	2.1
200.08836	1.6
200.10712	2.6
204.06578	2.7
210.11223	5.0
217.09866	2.3
227.13940	12.5
228.12317	21.8
245.14975	33.5
246.07541	5.1
263.10086	2.3
263.13840	8.0
263.16318	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1391
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
52.53251	0.3
54.88785	0.3
55.05505	0.4
56.96536	0.5
69.03432	0.6
69.83781	1.8
70.06590	33.0
71.04974	0.9
79.05458	0.4
84.04469	0.4
84.08128	0.6
84.49545	0.3
85.02871	0.6
85.06540	0.3
85.82299	0.3
86.09686	0.5
90.87705	0.3
91.05484	1.8
93.07034	2.4
95.04942	0.6
98.06030	1.0
98.20840	0.6
103.05463	6.8
110.07120	0.4
114.05504	0.8
116.07089	80.3
116.98650	0.5
120.08102	100.0
121.08445	0.6
123.04449	0.9
124.07584	0.4
127.84743	0.3
131.08568	0.3
136.60779	0.3
161.05978	6.6
163.03876	0.7
171.85287	0.4
177.00616	0.3
179.07091	0.9
197.08159	0.6
200.10767	0.5
217.13463	0.6
219.06631	0.7
221.07932	0.3
245.13037	1.7
246.11339	0.4
263.09875	0.7
263.13971	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92426	16.2
69.70325	100.0
101.00890	18.8
118.91030	15.8
119.01908	23.6
131.01917	23.7
137.36368	15.1
143.01849	33.6
161.02975	75.0
173.03032	19.3
238.52319	19.4
263.01630	66.1
263.06107	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	263.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78649	0.5
55.92930	0.4
58.99877	0.5
62.23654	0.4
63.59271	0.4
69.34754	4.1
69.35146	0.8
73.02917	0.5
82.99860	1.0
84.00676	0.7
85.02924	0.7
86.99342	0.5
96.48952	0.5
97.02943	0.9
99.77521	0.5
101.00878	8.5
101.01480	0.6
112.89622	2.0
113.00899	2.0
113.38232	0.5
114.42155	0.5
114.89376	1.3
119.01920	31.9
127.02451	0.9
131.01897	15.9
133.03510	0.9
137.02959	5.6
140.64697	0.4
143.01891	30.8
145.03470	7.2
149.03003	3.6
155.01883	9.0
157.03452	1.9
161.02954	100.0
162.03098	1.3
163.04533	1.9
167.01917	0.5
173.02959	30.0
174.03169	0.5
175.04466	1.9
179.04001	3.0
184.04539	2.5
185.03014	3.5
191.04004	25.0
197.02927	0.8
203.04005	20.3
203.74513	0.5
206.15518	0.5
209.05032	0.8
215.03972	0.8
216.88283	0.5
221.05101	4.3
233.05014	3.4
239.05974	1.6
245.05101	1.0
251.05858	0.6
254.18689	0.5
256.08948	0.5
263.06061	19.8
263.12131	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30970	3.0
55.01861	8.5
55.05517	17.1
56.05023	11.6
56.96566	24.9
57.02170	3.6
57.03434	11.5
58.06596	56.6
59.05009	4.2
59.48230	3.9
60.04515	7.2
61.02916	6.1
67.05486	6.3
68.05013	6.1
69.03429	19.5
70.04999	5.4
70.05394	8.7
70.06590	23.7
71.01338	3.5
71.04982	5.0
72.04510	21.5
72.08151	25.8
73.02927	7.9
73.06576	4.9
73.08468	3.1
74.02439	48.8
74.06062	8.4
75.03241	19.4
79.05482	6.3
80.05026	10.2
81.03425	10.2
81.07075	6.5
82.02934	14.9
82.06581	45.4
83.01352	5.0
83.04981	36.6
84.04501	31.3
84.08136	28.8
85.02900	24.5
85.06542	7.6
86.03233	5.0
86.06059	12.3
86.09692	8.3
88.03988	7.0
88.07613	12.9
89.03940	5.4
91.02319	3.7
91.05497	7.3
95.04964	7.2
95.08623	5.3
96.04499	13.5
97.02890	15.4
97.67740	2.9
98.06052	18.1
98.97581	12.2
99.04447	9.0
99.05546	17.4
100.03989	26.3
100.07619	74.5
101.00891	11.4
101.06012	29.1
102.05551	4.2
105.07088	3.0
106.06525	3.2
108.04475	4.2
108.08113	11.2
110.06044	14.5
110.07182	8.0
112.03949	3.9
112.07561	4.2
115.08682	8.5
116.07081	8.0
116.98636	11.4
118.05023	20.6
118.08648	87.6
119.01918	40.3
120.08106	9.8
127.03980	3.6
128.03410	7.7
128.07072	9.9
128.98639	4.3
130.04973	10.4
131.01912	23.8
133.01634	4.0
134.99677	10.0
135.04424	4.8
136.07562	12.0
137.02956	7.5
140.03348	3.9
142.08578	5.4
143.01862	25.7
145.01706	5.7
145.05014	3.5
145.06049	7.5
146.04477	48.2
146.99678	7.5
149.02991	5.8
150.96864	7.6
154.03859	18.9
154.08609	12.6
155.01921	7.7
155.04620	10.3
161.01414	6.7
161.02953	100.0
163.02745	8.2
163.04094	21.4
163.07072	15.9
164.05254	6.4
164.07083	9.7
165.00723	7.9
173.02945	29.9
176.06996	4.8
179.04042	4.6
181.09619	6.1
181.10701	4.1
182.08141	22.2
184.04675	5.3
185.02936	4.0
188.10605	3.6
189.00688	3.8
190.98651	5.4
191.03989	20.7
199.10831	11.4
200.09203	13.3
203.03915	38.8
203.54010	6.8
204.04594	7.0
208.99754	4.1
212.09148	6.1
221.05074	5.1
223.01346	4.3
227.10283	10.7
228.08728	8.6
245.11494	8.0
246.09760	7.6
246.15083	6.2
254.05412	4.2
263.06284	22.3
263.12268	16.0
263.17468	61.7
275.54889	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	262.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
54.91860	1.8
55.01869	2.2
55.05501	11.8
56.05031	8.4
56.96556	13.1
57.03439	2.3
58.01221	1.7
58.06594	8.1
59.04996	4.1
60.04524	7.9
60.05638	2.2
60.08149	3.4
61.02921	2.7
65.03937	1.6
67.04239	3.5
67.05508	5.9
68.05001	8.4
69.03423	23.4
69.07060	3.3
70.02960	2.8
70.06593	22.3
70.98122	1.8
71.04987	13.2
71.58537	2.8
72.04513	9.5
72.08152	21.0
73.02914	2.1
74.02444	12.8
74.06075	5.8
75.04476	2.0
79.05480	10.5
80.05009	28.3
81.03410	25.9
81.07068	5.3
82.02950	7.1
82.03751	3.6
82.06575	37.4
83.01353	3.0
83.04981	10.8
84.04497	17.4
84.08138	46.9
85.02897	53.9
85.04845	4.3
85.08473	2.7
86.06060	5.1
86.09697	19.1
87.04482	5.9
87.10037	9.3
88.03987	4.8
88.07651	2.0
89.03896	2.8
91.05486	7.5
92.05039	1.7
93.07056	4.7
94.06559	10.0
95.04989	5.7
95.08572	3.2
96.04514	4.8
96.08133	8.5
98.06042	22.2
98.09692	2.9
98.97602	3.3
99.04455	18.6
99.05600	4.7
99.06396	8.9
100.03986	6.9
100.07619	10.7
100.13676	1.6
101.06027	4.8
102.05548	3.1
103.05464	3.4
104.07116	3.0
105.07020	18.3
106.06575	5.7
107.04971	5.0
107.07375	2.5
108.08134	5.1
109.06487	2.0
110.06039	21.5
110.07215	3.0
111.04377	2.0
112.07619	5.3
112.08796	2.1
112.11261	4.2
114.05532	6.1
114.09146	3.2
115.05497	1.8
116.07065	8.0
116.98618	2.5
117.05765	5.9
117.07469	2.6
118.05009	8.9
118.06551	3.7
118.08649	9.6
119.01926	7.2
119.04945	3.1
120.08105	17.0
121.06500	4.2
122.09666	9.2
123.04461	3.3
123.08089	2.3
126.05534	5.2
126.09145	3.9
128.03462	1.9
128.07071	51.4
128.98642	3.3
129.10269	7.3
129.13924	2.0
130.05058	2.9
130.06503	2.4
130.08652	4.2
131.01904	2.9
131.08176	3.8
132.08080	26.6
133.06525	7.2
133.10545	2.8
134.09642	8.2
134.99687	2.6
135.04390	2.1
135.08092	5.1
136.07587	3.2
142.05032	2.4
142.08652	4.0
143.00131	2.5
143.01961	4.5
144.10176	2.4
145.01701	2.4
145.04982	6.1
145.06097	2.5
146.01103	1.8
146.04500	13.7
146.16493	2.4
146.99646	4.1
147.04860	4.2
148.07605	3.5
150.09125	18.1
150.96909	3.8
151.07538	20.4
152.07062	2.4
152.10735	6.7
154.03882	3.2
154.08675	6.4
159.07689	2.8
160.06093	3.8
160.09775	6.1
161.01353	1.7
161.02948	12.5
162.05533	2.3
162.09175	6.6
163.02769	2.5
163.04015	5.1
163.07182	3.1
164.07266	1.8
165.00845	2.0
165.05440	3.2
168.08498	2.6
170.08138	1.8
172.09679	3.1
173.02983	5.0
180.10178	100.0
181.06931	6.4
182.08116	2.4
186.11360	1.9
190.98657	2.4
191.02362	2.5
191.03914	3.3
194.11876	3.5
198.05569	2.4
198.13248	4.8
200.09146	2.5
203.04022	5.3
212.12823	12.8
216.06741	3.4
218.10202	11.8
223.01512	2.4
226.09206	2.6
230.13861	36.0
244.06007	2.1
244.13695	3.0
245.08571	2.7
262.06339	8.0
262.16592	99.4
263.06339	3.9
263.17438	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	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03931	2.7
53.06993	0.8
55.01859	1.1
55.05263	1.0
55.05511	13.6
57.03429	1.9
57.07073	4.9
65.03944	1.8
67.05505	44.2
69.07069	12.6
70.92366	0.9
71.04984	3.1
71.08617	2.4
71.40153	1.8
79.05492	54.6
81.07056	50.9
83.04958	1.1
83.08617	8.8
85.06536	3.4
87.00907	0.8
88.38338	0.8
91.05482	24.0
93.07043	70.6
95.04990	5.8
95.08607	34.9
95.09232	1.2
97.06513	3.8
97.10166	3.2
99.08100	4.2
105.07026	19.6
107.08588	47.2
109.06528	1.5
109.09458	1.2
109.10155	15.1
111.08076	2.9
111.11723	1.5
113.09648	1.1
115.05365	1.0
117.07012	7.5
119.08585	14.2
121.10143	45.2
123.08073	1.3
123.11713	6.1
125.09616	0.9
131.07712	1.3
131.08571	16.9
133.10132	14.6
135.11690	36.4
137.09602	2.2
137.13240	2.4
145.03355	0.8
145.10120	16.0
147.11687	13.2
149.13254	29.8
150.59502	0.8
151.14815	0.9
154.50749	0.9
159.11699	10.3
161.13246	12.4
163.14824	23.3
165.12744	2.0
173.13258	11.8
175.14827	4.6
177.16411	6.1
179.14349	2.3
187.14796	7.6
201.16382	3.3
203.18045	1.5
215.17938	2.4
219.17503	0.9
233.22523	1.8
243.21080	36.1
261.22137	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03935	3.1
55.05258	1.4
55.05509	18.4
57.03414	1.3
57.07071	6.5
65.03928	2.3
67.05502	49.8
69.07068	15.1
69.49974	1.0
70.11645	4.9
71.04977	1.9
71.08646	1.2
77.03884	1.0
79.05491	71.5
81.07056	63.3
83.04964	1.2
83.08623	8.1
85.06532	4.1
85.20131	0.9
89.57636	0.8
91.05476	34.7
92.16684	0.9
93.07040	94.5
95.04964	8.4
95.08603	43.4
97.06521	5.4
97.10138	2.4
99.08073	2.9
105.07024	22.9
107.08592	57.6
108.40714	0.9
109.06516	2.6
109.10160	17.0
111.08076	4.3
117.07033	7.6
119.08576	17.4
121.10137	44.3
123.08038	2.8
123.11714	5.9
125.09667	0.9
131.08563	18.7
133.10130	15.7
135.11684	36.0
137.09621	1.6
137.13217	1.7
145.10115	17.8
147.11694	12.7
149.13257	27.8
151.11157	1.6
153.12605	1.0
159.11694	9.7
161.13255	14.1
163.11162	1.0
163.14822	22.8
165.12715	1.5
173.13248	13.9
175.14781	5.1
177.12701	1.6
177.16374	6.6
179.14313	1.8
184.45761	0.9
187.14812	8.5
201.16367	4.8
205.15942	1.7
215.17969	1.6
217.19589	1.4
243.21078	34.3
261.22134	100.0
262.22583	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.62796	1.0
52.64602	1.1
53.03933	3.2
54.73893	1.0
55.05510	13.9
57.07067	4.4
65.03928	1.5
67.05505	42.3
68.51032	0.9
69.07072	10.2
71.04993	2.0
71.08625	1.9
72.40054	1.1
77.03919	1.8
79.05492	60.0
81.07059	49.7
83.04957	1.2
83.08623	8.2
85.06544	3.6
91.05482	28.3
93.07044	72.4
95.04971	6.8
95.08608	37.1
97.06543	3.8
97.10155	2.5
99.08051	3.0
105.04526	1.0
105.07032	19.8
107.08591	46.4
109.06516	2.1
109.10162	13.4
111.08056	3.5
111.11713	1.3
113.09631	2.2
117.07011	5.3
119.08576	14.5
121.10139	42.7
123.08120	1.2
123.11710	4.5
131.08569	15.5
133.10123	12.5
135.11693	34.2
137.09650	1.6
141.30927	1.1
142.81029	1.1
145.10110	15.8
147.11700	11.8
149.09627	1.2
149.13257	23.0
159.11716	9.5
161.13258	11.9
163.14832	18.0
165.12828	1.5
173.13264	10.0
175.14816	4.1
176.59399	1.2
177.16368	4.6
179.14375	1.8
187.14819	6.0
189.16428	1.0
201.16386	3.5
215.17917	1.9
233.22665	2.3
243.21074	31.3
261.22141	100.0
262.22461	2.3
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
53.03932	3.1
55.05305	1.0
55.05510	11.3
57.03435	1.3
57.07057	3.3
59.95541	1.0
63.02373	1.0
65.03929	1.7
67.05502	38.5
69.07060	11.7
70.22223	0.9
70.22549	4.6
71.04985	1.3
71.08620	1.4
79.05487	53.6
81.07053	41.2
83.08623	7.9
85.06522	3.8
90.27431	0.9
91.05476	22.2
93.07043	67.8
95.04979	5.6
95.08600	34.8
96.92020	0.9
97.06503	2.5
97.10155	3.9
99.08076	3.4
105.07024	17.5
107.08587	43.5
109.06496	1.8
109.10149	13.4
111.08076	3.5
111.11764	1.0
113.09652	1.4
117.06980	5.4
119.08573	13.2
121.10136	40.6
123.08029	1.8
123.11674	4.2
125.09676	1.2
131.08560	12.9
133.10100	12.4
134.29538	0.9
135.11685	34.2
137.09578	1.8
137.13240	2.1
145.10123	13.9
147.11665	9.7
149.09575	1.2
149.13249	26.6
151.11177	1.6
159.11699	10.0
161.13240	14.0
163.14818	17.3
165.12732	1.6
173.13310	9.7
175.14772	4.8
177.16367	6.6
179.14265	2.1
187.14835	9.7
201.16344	3.0
205.15840	1.5
213.31213	1.1
215.18047	1.1
243.21060	31.0
261.22128	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.7
53.03944	2.8
55.01870	1.2
55.05506	13.5
57.03437	1.1
57.07072	4.0
60.43935	0.5
65.03934	2.1
66.15227	0.6
67.05502	46.7
69.07066	13.7
69.92634	0.9
69.93030	2.9
71.04995	2.7
71.08622	1.3
77.03899	1.1
79.05488	58.7
81.03408	0.6
81.07052	50.4
83.04974	1.5
83.08612	6.5
84.04446	0.5
84.64409	0.5
85.06544	4.0
85.10155	0.6
91.05476	29.7
92.16101	0.4
93.07038	78.9
95.04961	5.9
95.08601	37.2
97.06515	3.5
97.10157	2.7
98.20800	0.8
99.08072	4.0
105.04508	1.3
105.07021	20.2
107.04889	0.6
107.08587	49.6
109.06528	1.7
109.10150	14.3
111.08072	2.7
113.09631	1.1
117.07007	8.1
119.08573	15.7
121.10134	45.6
123.08067	2.1
123.11677	3.9
125.09567	0.6
126.98829	0.5
129.06937	0.6
130.07755	0.6
131.08562	15.3
133.09119	0.7
133.10117	13.2
135.08005	0.6
135.11681	34.4
137.09610	2.0
137.13269	1.7
143.08569	0.8
144.09442	0.5
145.10110	14.6
147.11684	11.5
149.09607	0.9
149.13252	27.0
151.11113	0.9
151.14812	1.0
153.12737	1.0
159.11676	10.2
161.13240	11.0
163.11182	0.8
163.14818	19.8
165.12723	1.7
173.13255	8.9
175.14816	4.2
177.12741	0.7
177.16386	5.3
179.14319	1.5
187.14807	7.7
189.16397	0.7
193.15938	0.6
201.16359	4.1
205.15884	1.2
215.17921	1.6
219.17503	1.3
233.22658	1.4
243.21077	30.0
244.38208	0.5
261.22125	100.0
262.22482	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1483
Annotation	Conidione
Peak:m/z	Relative Intensity
53.03932	2.4
55.01869	5.7
55.05507	3.4
56.96548	0.9
57.03423	1.5
67.05500	6.6
69.03424	39.8
69.07053	2.7
70.71211	1.9
70.71555	1.5
71.04987	7.7
77.71503	0.9
79.05488	13.3
81.03412	24.8
81.07052	20.9
83.04984	4.3
85.02898	5.1
85.06556	1.2
91.05475	19.2
93.07037	69.5
95.01299	1.1
95.04962	10.6
95.08596	10.1
97.02878	7.2
97.06523	2.6
103.05475	1.5
105.07025	28.2
107.04942	3.7
107.08588	98.0
109.02863	2.9
109.06493	6.7
109.10134	3.6
111.04440	9.9
111.08039	1.3
115.05434	1.9
117.07001	7.0
119.04919	2.8
119.08579	16.1
120.08125	0.9
121.06512	7.6
121.10112	7.5
123.04423	8.3
123.08073	10.5
123.11702	1.1
125.05901	0.9
127.03908	3.0
128.06227	2.0
129.06990	3.9
130.07770	2.0
131.04950	0.8
131.08559	10.1
132.95877	1.0
133.06464	3.6
133.10117	10.6
135.08046	8.1
135.11679	52.6
137.05956	2.9
139.03888	1.3
141.06992	2.2
142.07753	3.2
143.08546	4.6
145.06459	2.7
145.10117	18.2
147.08057	3.0
147.11682	9.5
149.05925	1.3
149.09607	2.5
151.07524	1.2
151.11165	2.8
152.06308	0.9
153.05502	1.6
155.08528	3.9
157.06458	1.7
157.10081	5.6
158.07294	1.2
159.08057	5.7
159.11682	5.9
161.05998	1.3
161.09593	3.5
163.07478	2.4
163.11171	32.1
165.12733	3.4
167.08530	1.5
169.06363	0.9
169.10089	3.9
171.11678	3.0
173.09598	5.2
173.13245	3.3
175.07526	2.1
175.11151	7.4
177.12750	1.6
179.10687	1.8
183.11649	1.8
184.08815	0.9
185.09570	3.7
185.13242	1.4
187.07504	2.7
187.11166	3.3
187.14746	2.6
189.12682	1.8
193.12234	2.6
197.13211	3.5
199.11169	1.7
201.09152	2.4
201.12743	3.3
203.10580	6.5
204.62508	0.9
207.11623	1.3
213.12657	1.2
215.10706	1.5
215.14262	8.7
217.12131	2.8
219.13768	1.4
225.12701	2.1
231.13649	2.1
233.15317	2.1
243.13773	13.6
261.14844	100.0
262.15045	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03933	3.2
55.05507	13.9
57.03436	1.5
57.07056	3.2
61.36120	0.9
63.36584	0.8
65.03922	1.7
67.05501	43.3
69.07062	13.0
71.05195	1.2
71.08609	1.0
77.03942	1.0
79.05487	57.9
81.07050	50.3
83.05001	1.2
83.08622	7.3
85.06526	4.1
91.05478	29.1
93.07037	78.8
95.04975	5.1
95.08600	35.6
97.06510	3.4
97.10150	2.6
99.08080	3.5
105.07024	16.7
107.08588	48.9
109.06516	2.3
109.09460	1.1
109.10152	12.9
111.08074	3.2
111.11727	1.2
113.09620	1.4
117.07001	6.8
119.08575	15.3
121.10131	44.1
122.13092	0.9
123.07977	1.2
123.11717	5.7
125.09624	1.1
131.08562	15.5
133.09222	1.4
133.10130	14.5
135.11679	35.0
137.09608	1.5
145.10126	11.9
147.11691	10.1
149.13246	27.3
151.11200	1.5
159.11693	10.0
161.13234	11.5
163.14806	20.8
165.12764	1.1
173.13260	10.1
175.14812	3.7
177.16403	4.9
179.14287	1.9
187.14810	7.8
201.16350	4.1
203.18031	1.2
215.17804	1.4
242.14000	1.0
243.21069	32.1
261.22125	100.0
262.22385	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1484
Annotation	Conidione
Peak:m/z	Relative Intensity
53.03943	4.3
55.01875	5.1
55.05492	3.1
56.96555	1.5
57.03428	1.8
64.97565	0.9
65.03944	0.9
67.05503	7.2
69.03426	37.9
69.07043	3.2
71.04993	5.4
71.59025	1.2
71.59393	0.9
77.03924	1.0
79.05494	12.0
81.02978	1.5
81.03419	22.5
81.06581	1.2
81.07055	23.4
83.04973	5.4
83.05389	0.8
83.34117	0.8
85.02900	4.7
85.06556	1.0
86.09682	1.3
89.66026	0.9
91.05474	19.3
93.07039	69.7
95.04976	9.5
95.08601	11.0
97.02897	8.7
97.06517	3.3
98.97572	2.6
99.04440	2.0
103.05439	1.8
105.07029	32.8
107.04942	3.9
107.08590	88.1
109.02872	2.6
109.06526	6.8
109.10149	5.5
111.04447	8.3
114.85883	1.0
115.05431	2.4
116.98643	1.7
117.07001	6.3
119.04947	1.3
119.06012	1.1
119.08578	16.4
121.06496	5.5
121.10146	7.4
123.04449	6.1
123.08059	13.3
123.11678	1.3
125.02360	0.9
125.06003	1.4
127.03913	2.6
128.06219	2.2
129.07002	5.5
130.07681	2.0
131.08548	8.5
133.06458	3.3
133.10138	12.1
135.08063	9.0
135.11681	44.7
137.05934	3.0
137.09592	1.6
139.03883	1.2
141.06985	2.4
142.07774	3.3
143.08524	5.3
144.09309	1.1
145.06432	3.8
145.10112	17.9
147.08023	4.1
147.11678	8.4
149.05966	2.2
149.09634	2.5
151.07614	1.5
151.11183	2.5
153.05438	2.7
153.06911	1.5
155.08548	4.0
156.09354	1.2
157.06512	1.2
157.10143	7.2
158.99643	1.0
159.08061	6.2
159.11671	6.7
161.05939	1.1
161.09619	5.1
161.13184	1.8
163.07477	1.9
163.11162	36.2
165.12753	4.3
167.08545	2.2
169.10092	3.8
171.08206	1.1
171.11642	3.5
173.05817	1.3
173.09592	5.3
173.13264	3.0
175.07561	1.8
175.11159	6.7
177.00644	1.0
177.09056	1.3
177.12831	1.4
179.10637	2.1
182.10857	1.3
183.11594	1.3
185.09590	2.9
187.07483	2.5
187.11188	5.0
187.14807	1.8
189.09070	1.5
189.12714	3.4
191.10689	1.4
191.14301	1.3
193.08556	0.9
193.12189	3.5
196.08664	0.9
197.09570	1.5
197.13245	3.0
199.11272	2.1
201.09085	3.0
201.12762	4.1
202.09998	1.1
203.10686	3.6
205.08582	1.4
213.12796	1.0
215.10762	1.1
215.14326	7.9
217.12256	1.8
219.10191	1.8
219.13901	1.9
225.12669	3.0
231.13948	1.4
233.15366	2.3
243.13770	14.8
261.14847	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1444
Annotation	CHEBI:73506
Peak:m/z	Relative Intensity
56.05032	7.1
56.96562	6.8
57.89334	1.3
67.05503	1.3
69.03423	1.5
69.07050	1.5
70.06604	1.8
70.77567	1.2
70.77901	2.9
72.04508	1.1
72.08170	2.2
74.02441	5.9
81.03394	4.4
82.02929	2.7
83.01311	1.3
83.04993	1.7
84.04501	100.0
84.08136	2.7
85.02900	2.6
86.09700	92.6
88.03991	1.6
98.06050	13.9
98.09689	1.7
98.97576	1.7
99.04488	1.6
99.05573	3.9
100.03970	2.8
102.05539	18.0
106.06544	1.1
108.08114	2.5
110.06039	1.1
116.07099	4.8
116.98566	1.7
118.04993	1.9
126.09132	1.4
128.06993	1.3
129.06593	3.9
130.05003	2.1
132.09195	2.5
132.10197	50.1
141.06599	3.5
145.06035	1.3
145.99478	1.7
146.04446	9.9
152.07089	1.2
163.03882	2.4
164.00526	2.9
172.09692	7.1
177.00671	1.7
179.08084	2.4
180.06551	5.4
189.00737	1.4
192.03598	5.5
197.09256	2.7
197.12837	55.6
198.13112	1.2
200.09181	6.5
210.04727	2.5
217.11829	9.2
219.01805	1.1
225.12332	5.5
226.07043	2.0
243.07863	2.3
243.13391	45.6
255.99820	4.4
261.11029	1.4
261.14618	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1444
Annotation	gamma-Glu-Ile
Peak:m/z	Relative Intensity
55.01864	0.8
55.05506	7.7
56.05029	3.2
56.96565	1.8
57.01748	0.4
57.03441	0.8
57.05806	0.7
58.65395	0.5
59.04995	1.3
65.76008	0.4
67.05499	1.0
69.03419	1.4
69.07063	0.9
70.06588	1.9
71.04998	1.0
71.58628	0.5
71.58997	0.5
72.04512	0.7
72.08153	100.0
73.06551	0.9
74.02431	2.8
81.03438	2.5
81.07069	1.0
83.04984	0.8
84.04501	45.7
84.08142	2.6
85.02911	1.4
86.09698	13.7
91.05491	0.9
95.04967	0.7
95.08613	0.7
96.04518	0.5
96.08164	0.6
98.06045	6.9
98.09756	0.6
98.97579	1.4
99.04480	0.6
99.05597	1.8
100.03992	0.9
102.05532	1.9
103.05478	1.6
105.07038	1.1
107.04951	0.7
109.04881	0.5
110.09737	0.5
113.95451	0.5
115.03847	0.5
115.05465	1.3
116.07092	1.3
116.98645	1.1
118.05045	0.6
120.08108	1.0
123.04436	2.2
128.98668	0.5
129.06999	0.7
129.10208	0.7
130.04993	9.1
130.06483	3.5
131.04948	1.8
132.10197	52.9
132.95909	0.8
133.06519	0.7
134.99643	1.2
135.04453	0.5
137.02370	2.0
138.09140	1.0
141.06985	1.6
145.06459	0.7
146.04509	2.0
146.06023	2.0
147.04416	0.8
148.06070	2.4
152.07030	0.6
153.00627	0.6
156.16354	0.4
157.07684	0.7
158.06026	2.4
158.99663	0.6
159.04439	2.4
161.07124	0.5
163.03944	1.5
163.07190	0.9
169.06520	1.5
170.06041	1.1
170.11772	5.0
173.07225	0.6
175.04016	0.8
177.00722	1.5
179.08212	0.7
180.06589	4.0
183.11336	0.5
184.09689	7.6
187.03911	6.9
188.07123	2.1
197.06056	0.7
197.09288	1.1
198.11288	4.6
215.03511	0.5
215.07108	0.6
219.01895	0.6
225.08798	0.9
226.07220	0.9
229.11879	1.1
233.04440	0.5
237.02776	1.0
243.06447	0.7
243.09891	0.9
243.13403	0.7
244.11815	8.1
261.03763	0.6
261.07626	2.8
261.10071	0.5
261.12228	0.8
261.14590	7.4
262.14639	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48950	0.6
54.03473	1.2
54.22308	0.6
54.73742	0.6
55.01860	1.2
55.33108	0.7
60.90162	0.7
69.73753	0.6
70.06584	5.7
70.98779	1.1
70.99117	1.3
72.04503	6.3
73.02921	1.2
74.02441	34.2
77.32948	0.6
78.07722	0.6
80.05046	0.8
82.02940	3.0
83.01336	1.1
97.02888	2.0
98.06052	100.0
99.04451	1.7
100.03986	3.9
106.06562	1.6
108.08115	1.6
109.04008	1.9
110.06052	3.4
116.07091	21.4
118.05006	9.1
124.07590	4.1
126.05527	5.3
130.06496	0.7
133.07611	1.3
134.06012	0.8
136.07552	1.1
137.07088	2.3
146.04498	10.5
151.08636	3.6
152.07057	14.1
153.10188	0.8
154.05040	1.3
161.07115	6.3
163.08707	1.0
179.08159	16.0
180.06552	55.7
188.07094	1.0
189.06752	0.7
197.09210	13.5
198.07648	2.0
207.07645	2.6
209.24037	0.6
225.08682	12.6
226.07091	15.9
235.52959	0.7
243.09756	8.4
244.08195	4.4
261.10693	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	261.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	17.4
70.28820	9.8
71.03694	15.0
71.04003	10.4
72.04513	16.7
74.02428	53.2
76.15408	8.9
81.03397	15.3
84.04499	40.9
84.08141	21.2
85.08480	12.2
86.09698	31.2
98.06023	9.9
99.04487	17.8
99.05566	55.7
100.03946	20.8
116.07088	11.6
117.06639	10.0
118.04993	34.8
132.10170	19.7
136.32544	10.0
145.06094	26.7
146.04497	100.0
163.07153	51.7
169.40602	9.5
229.03239	11.2
243.13374	10.7
260.10403	11.0
261.05847	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	261.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61411	5.0
69.03429	12.8
69.35712	18.1
69.36132	27.1
72.04512	6.8
74.02435	39.6
81.03433	9.3
82.02933	9.6
84.04494	7.0
85.08482	6.0
86.09705	8.9
96.67294	4.6
98.06059	5.8
99.04475	12.4
99.05569	45.6
100.04000	14.1
101.25249	5.2
111.73037	4.9
118.05016	19.9
145.06160	11.0
146.04477	70.2
163.07115	35.4
229.03152	32.8
243.04778	5.4
261.05804	100.0
261.08459	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	261.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81253	9.7
54.21516	7.8
62.88263	7.8
63.83615	8.0
66.91962	7.3
69.03437	21.0
71.09013	19.1
72.04505	12.4
74.02435	69.1
81.03424	13.6
82.02950	12.9
84.08148	10.0
85.08379	9.4
99.04503	15.8
99.05570	64.6
100.03996	10.1
118.05006	22.4
139.74683	7.1
145.06097	12.8
146.04472	100.0
153.49754	8.0
163.07156	38.1
170.24216	9.2
193.82722	8.2
229.03203	12.7
261.05804	61.2
262.48334	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	261.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00962	3.5
59.95803	4.1
60.28228	3.9
69.03431	17.1
69.89629	4.0
70.41531	13.7
72.04514	9.1
74.02436	53.7
81.03413	14.5
82.02936	9.4
84.04479	7.1
84.08144	15.9
85.08477	12.9
85.81829	3.7
86.09698	6.6
98.06084	6.1
99.04465	14.8
99.05558	50.1
100.03981	18.3
116.07062	5.3
118.05007	25.5
118.99422	4.2
145.06119	12.6
146.04472	100.0
149.56578	4.4
163.07143	38.0
180.10097	4.3
229.03203	7.1
261.05795	23.1
261.10632	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	261.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20638	0.2
51.15582	0.2
55.24131	0.3
56.96562	1.2
71.27923	0.4
98.97577	2.8
100.93392	0.2
101.00862	1.0
116.98625	2.9
119.01919	8.6
120.02008	0.2
134.99669	3.3
137.02948	3.8
138.03003	0.2
153.00743	0.7
158.99815	0.5
161.02919	0.4
177.00938	17.3
178.01048	0.8
179.00703	0.9
182.99962	0.3
193.04091	0.4
195.01970	0.5
201.00887	1.3
210.77579	0.2
217.04126	2.8
218.03673	0.9
219.01991	23.4
220.02095	1.1
221.01750	3.7
222.01854	0.4
222.46465	0.3
225.00859	2.3
227.99792	0.3
237.02870	0.4
237.98665	1.5
238.98351	0.5
242.03590	0.4
243.01981	6.8
244.02116	0.3
260.04559	0.3
261.03040	100.0
262.03165	4.6
262.28470	0.2
274.97742	0.3
275.04337	0.5
279.00262	2.3
284.04654	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	261.108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.5
55.05508	4.8
56.05032	2.1
70.06595	13.7
71.04984	9.9
71.20059	4.8
72.04506	16.9
74.02443	11.6
81.03418	39.3
82.02945	3.9
84.04510	11.8
86.06097	2.3
86.09714	2.3
88.77508	2.0
96.04462	3.2
98.06060	47.2
99.04458	100.0
99.05494	16.4
100.03973	5.6
110.06048	4.4
116.07083	40.1
118.05025	7.0
130.04968	3.8
132.10255	2.7
145.06088	31.1
146.04445	12.2
158.04497	2.8
179.08141	3.7
180.06479	2.3
197.09224	3.4
225.08649	4.3
226.07047	2.3
243.09944	2.8
244.08116	4.0
261.10751	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	260.1605
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
54.13559	1.1
55.05491	1.2
56.05037	8.4
56.96562	1.6
60.27252	1.1
67.05504	1.1
68.58223	1.2
69.07054	2.0
70.84690	3.5
72.08145	2.1
74.02438	10.7
75.02764	2.0
81.03403	2.1
82.06586	1.9
83.06104	71.2
84.04504	96.3
84.07768	1.2
84.08152	13.5
85.04837	2.6
86.09705	100.0
94.06602	1.2
98.06050	1.5
101.07140	7.8
101.61783	1.3
102.05495	1.3
115.02177	2.2
117.23243	1.1
127.23721	1.1
129.06598	4.3
129.10236	1.6
130.04994	3.8
130.08635	3.1
131.05367	1.7
131.08989	3.3
132.10199	29.4
140.05305	2.4
141.06601	3.4
147.11258	1.3
152.06927	1.2
152.10616	1.4
157.13380	10.2
171.11215	1.4
172.04277	1.9
179.73465	1.3
185.12843	3.2
189.12268	1.1
196.14456	6.7
197.10100	2.9
197.12857	33.7
198.11159	1.7
225.12378	4.9
242.14992	66.2
243.07968	5.7
243.13403	34.1
260.13199	3.9
260.16016	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05498	8.6
57.07061	3.3
67.05491	8.1
69.07064	29.3
70.66893	6.9
71.04989	19.1
79.05478	7.1
79.23273	2.4
79.85777	2.1
81.07062	14.4
83.04977	6.0
83.08610	7.2
85.06547	21.8
87.16537	2.3
91.05473	11.4
93.07063	14.0
95.04937	3.1
95.08604	17.6
97.02273	2.0
97.06489	4.5
105.03416	2.3
105.07025	29.8
107.08585	19.9
109.06499	6.9
109.10181	13.5
111.08078	9.4
117.07004	7.5
119.08583	50.6
121.10144	13.7
123.08155	2.3
123.11715	21.9
128.06160	2.8
129.06975	4.4
130.07780	2.1
131.08582	14.3
133.10120	33.3
135.08049	10.6
135.11659	4.7
136.17657	2.6
137.09607	4.9
142.07809	4.4
143.08554	8.7
144.09349	3.3
145.10121	33.0
147.11693	21.1
149.09673	2.9
149.13260	2.8
156.09322	3.0
157.10103	12.6
159.11699	32.8
161.09636	2.3
161.13251	29.7
163.11194	3.5
171.11658	11.5
173.13260	9.3
175.11267	5.3
175.14825	77.3
176.15540	5.7
177.12790	6.4
185.13264	15.9
189.12762	4.9
189.16377	5.3
199.14841	4.2
201.16371	25.1
203.14305	8.6
208.29602	2.3
208.90746	2.0
215.17938	7.8
217.19615	4.1
241.19534	13.1
259.20581	100.0
260.20792	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	259.1693
Annotation	Laurenol acetate
Peak:m/z	Relative Intensity
55.05500	2.7
56.96563	0.6
57.07072	3.4
58.07401	0.6
62.06083	1.1
67.05496	1.8
69.07059	2.4
70.78115	1.2
71.08628	0.8
79.05473	2.4
81.07038	1.8
83.04968	0.5
83.08617	1.4
91.05473	11.6
93.07059	1.2
95.04977	0.6
95.08603	1.5
97.06472	0.6
103.05463	0.8
105.07026	17.0
107.08583	1.3
109.10167	0.6
115.05438	2.6
116.06236	2.0
117.07011	17.0
119.04907	0.7
119.08576	2.0
121.06502	1.3
121.10123	0.9
127.58095	0.5
128.06216	1.6
129.06990	7.8
130.07788	1.5
131.08563	100.0
132.08919	0.9
141.06972	0.8
142.07759	2.2
143.08556	7.9
144.09326	0.7
145.10114	31.2
155.08566	2.7
157.10114	5.8
159.08081	0.8
159.11655	3.1
169.10165	1.4
171.11661	1.2
181.10176	1.9
182.10980	0.8
188.08333	1.7
195.11722	1.5
197.13243	0.6
199.11230	0.6
199.14713	0.8
203.10561	2.5
213.16313	1.1
217.34645	0.5
223.14812	5.5
226.25867	0.5
241.15852	2.8
241.27292	0.7
242.01221	0.5
259.16940	18.2
259.20514	1.4
259.28256	14.4
266.95151	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
54.03465	2.2
55.01863	1.1
55.05505	2.0
56.05023	3.6
60.04528	1.6
62.60933	0.8
65.03934	2.7
67.04244	13.2
67.05494	1.6
68.05029	1.9
69.03419	1.3
69.38998	7.9
70.06583	2.5
72.04498	2.0
72.08154	1.5
74.02438	47.4
79.05499	1.3
80.05013	5.7
81.03416	10.0
81.07044	0.8
82.02933	1.9
82.06575	100.0
83.01347	1.0
83.06094	5.4
84.04501	64.7
84.08136	7.3
85.02902	1.7
86.09702	9.5
88.03989	25.5
91.05498	1.2
93.05757	1.2
95.04943	1.5
96.04476	4.4
97.02896	2.0
98.06037	2.6
98.20685	1.7
99.05557	1.8
100.03959	1.8
100.07613	33.6
100.87424	0.9
102.05537	2.1
102.09160	3.4
106.06525	2.1
107.04964	1.8
108.08176	1.0
110.06068	1.6
111.02638	1.2
113.00609	1.6
113.06018	1.6
114.05528	6.0
115.03933	1.1
116.01718	1.3
116.58862	0.8
118.06534	1.8
121.02821	1.0
122.06023	0.9
130.05003	29.1
130.08633	36.9
132.06551	3.0
132.10208	1.8
134.06012	1.1
136.07550	2.5
138.09106	1.5
146.04507	1.9
146.06032	1.4
150.05586	1.0
150.09146	6.9
152.10667	0.9
154.08652	2.6
156.04782	2.8
156.06538	0.9
160.06041	2.7
163.03836	1.1
168.10236	1.8
195.11307	1.2
196.05988	1.3
196.09666	13.8
196.14597	1.0
197.12854	2.8
240.86198	0.9
241.06401	1.4
241.08733	0.9
241.11859	3.0
242.10228	7.1
242.14972	5.3
243.13406	2.8
259.10101	2.0
259.12860	25.7
264.88693	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
54.03465	2.2
55.01863	1.1
55.05505	2.0
56.05023	3.6
60.04528	1.6
62.60933	0.8
65.03934	2.7
67.04244	13.2
67.05494	1.6
68.05029	1.9
69.03419	1.3
69.38998	7.9
70.06583	2.5
72.04498	2.0
72.08154	1.5
74.02438	47.4
79.05499	1.3
80.05013	5.7
81.03416	10.0
81.07044	0.8
82.02933	1.9
82.06575	100.0
83.01347	1.0
83.06094	5.4
84.04501	64.7
84.08136	7.3
85.02902	1.7
86.09702	9.5
88.03989	25.5
91.05498	1.2
93.05757	1.2
95.04943	1.5
96.04476	4.4
97.02896	2.0
98.06037	2.6
98.20685	1.7
99.05557	1.8
100.03959	1.8
100.07613	33.6
100.87424	0.9
102.05537	2.1
102.09160	3.4
106.06525	2.1
107.04964	1.8
108.08176	1.0
110.06068	1.6
111.02638	1.2
113.00609	1.6
113.06018	1.6
114.05528	6.0
115.03933	1.1
116.01718	1.3
116.58862	0.8
118.06534	1.8
121.02821	1.0
122.06023	0.9
130.05003	29.1
130.08633	36.9
132.06551	3.0
132.10208	1.8
134.06012	1.1
136.07550	2.5
138.09106	1.5
146.04507	1.9
146.06032	1.4
150.05586	1.0
150.09146	6.9
152.10667	0.9
154.08652	2.6
156.04782	2.8
156.06538	0.9
160.06041	2.7
163.03836	1.1
168.10236	1.8
195.11307	1.2
196.05988	1.3
196.09666	13.8
196.14597	1.0
197.12854	2.8
240.86198	0.9
241.06401	1.4
241.08733	0.9
241.11859	3.0
242.10228	7.1
242.14972	5.3
243.13406	2.8
259.10101	2.0
259.12860	25.7
264.88693	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23016	1.6
55.45680	1.3
64.47896	1.4
70.84222	3.2
70.84615	3.5
77.10633	1.3
80.34459	1.6
80.34938	1.5
81.03396	5.9
83.04944	1.7
84.08104	1.9
86.09705	1.9
97.06503	1.7
101.15598	1.8
106.65630	1.8
116.98605	2.0
134.77254	1.8
164.27831	2.0
218.42932	1.5
259.04227	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39839	1.6
56.96556	2.8
58.91586	1.6
69.03432	1.9
69.67043	12.3
76.12708	1.6
81.03410	4.6
83.28283	1.7
84.04482	2.2
84.08121	2.2
84.75213	1.8
85.02880	2.1
91.05464	2.5
94.01169	1.6
96.04478	5.1
98.20774	3.5
98.97592	1.9
114.05489	2.5
137.05923	2.1
160.07542	1.7
163.03842	1.9
187.32098	1.7
213.05286	2.7
227.02278	1.7
244.83905	1.6
259.04245	100.0
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
56.02300	1.3
56.96558	2.1
62.65958	0.9
68.05031	2.5
69.03431	2.5
69.62965	8.8
70.06589	2.1
72.04551	1.0
72.08139	2.9
74.00645	2.7
74.02448	3.1
80.05013	2.8
81.03415	36.2
82.06557	1.7
84.04486	4.4
84.08131	4.3
85.04027	3.5
86.09718	1.8
94.06574	3.2
96.04489	6.1
97.02863	2.0
97.06518	1.4
98.20771	2.1
98.97599	1.5
99.05586	1.5
100.02197	3.4
109.05257	1.5
110.05988	1.5
112.03970	1.5
114.05556	8.8
118.04937	1.2
119.01914	4.6
122.06040	2.4
127.02140	2.8
130.05006	2.9
130.91609	1.2
131.04526	1.7
137.03000	1.3
138.03748	2.1
139.00015	3.0
139.02133	1.4
145.06100	2.1
146.02727	3.3
146.04495	3.5
156.04758	15.6
158.04471	1.3
161.02963	1.3
175.00903	3.3
177.03281	4.7
186.04024	1.4
189.02428	3.4
193.01971	2.4
199.02151	18.6
200.05606	1.3
217.01817	5.5
221.83093	1.2
222.25970	1.1
222.48904	1.1
235.03041	4.0
238.58591	1.2
241.03220	12.5
241.06360	1.8
259.04272	100.0
259.07303	8.0
260.04758	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0965
Annotation	Rhapontigenin
Peak:m/z	Relative Intensity
53.03942	13.1
53.51540	1.2
55.01854	4.2
55.05500	2.3
56.96558	1.3
57.03427	1.1
65.03941	1.3
67.05491	4.0
68.99774	1.3
69.03419	3.4
69.07050	3.2
69.53671	3.4
69.54103	5.0
71.01350	9.1
71.04953	1.2
79.05487	4.2
81.03404	1.4
81.07029	2.1
83.04936	2.2
84.04510	2.5
84.08115	1.4
85.02895	1.2
85.06573	0.9
89.03929	1.1
89.76774	1.1
91.05480	11.0
93.07040	6.2
95.04948	5.9
95.08621	1.2
97.02917	2.1
97.06531	14.1
98.97583	2.8
103.05428	1.8
105.03377	2.5
105.07021	5.7
105.54731	1.0
107.04955	2.4
109.02118	1.8
109.02874	33.2
115.05460	12.8
116.98621	2.0
117.06991	4.2
119.04939	2.2
119.08578	4.1
121.06498	6.6
121.10189	1.2
122.47298	0.9
123.04427	7.3
127.03887	1.2
128.06215	4.1
129.06989	5.4
131.04897	3.2
131.08553	2.5
132.05653	1.2
133.02859	1.4
133.06497	7.4
133.35730	1.0
135.04425	2.5
137.05946	5.4
138.05464	1.1
141.06972	12.8
142.07819	2.4
143.04912	3.2
143.08586	5.1
144.05708	2.0
145.06432	2.9
147.04420	4.6
149.06003	6.5
150.06685	1.2
151.81447	1.2
152.06197	3.6
157.06503	2.0
157.10184	2.4
159.04391	2.7
159.08043	2.0
160.05191	49.8
161.02328	4.3
161.05980	96.4
163.03896	7.1
163.07370	1.2
165.06967	2.1
166.07796	1.5
167.08549	7.7
169.06512	9.0
170.07341	1.2
171.08041	5.0
173.02385	6.4
173.05933	5.3
174.06783	1.8
175.03902	4.5
175.07588	2.8
184.05188	3.4
185.06001	4.6
185.09612	3.4
187.07550	8.2
189.09109	81.2
195.08022	9.2
197.05951	4.2
198.06691	2.6
199.07495	1.9
200.04657	5.9
201.05464	2.0
203.07042	2.1
212.04642	1.1
213.05513	2.6
213.09064	11.5
215.07022	37.7
215.10555	1.6
217.08594	24.6
218.79933	1.3
223.07596	1.1
226.06169	1.4
229.04872	2.9
230.05791	1.5
231.06631	1.5
231.10139	3.0
241.08649	6.7
259.09656	100.0
260.09979	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1854
Annotation	DEXTRORPHAN
Peak:m/z	Relative Intensity
55.05517	1.5
55.37915	0.7
56.96556	1.1
57.07080	7.9
58.06581	1.3
59.81852	0.6
67.05498	1.4
68.49957	0.6
70.06568	1.1
71.08624	1.6
71.59713	0.8
72.08154	10.6
76.68414	0.6
79.05499	0.7
81.07021	2.0
86.09689	0.8
88.07672	0.8
90.09198	8.8
91.05481	1.8
93.07047	1.1
95.08598	1.0
98.97591	1.3
105.07015	2.9
107.07404	0.6
107.08555	0.6
115.05453	0.8
116.98589	1.5
117.06966	2.0
118.06548	0.9
119.08553	0.8
120.08109	0.8
123.35932	0.8
127.66909	0.7
129.06984	1.8
130.07297	0.8
131.08554	2.0
132.08081	2.1
132.08949	1.2
134.09631	2.3
134.99660	2.1
143.08562	1.3
144.08009	1.1
145.06549	0.7
145.10088	3.6
146.09612	2.2
146.10545	1.3
147.10379	1.3
157.10176	0.8
160.11189	10.2
161.12004	13.7
162.12764	9.9
172.11185	2.1
174.13670	0.7
182.09650	0.8
186.12764	8.9
187.13536	1.9
188.08429	3.1
196.11276	1.2
198.12740	1.2
200.10660	1.4
200.14345	10.0
201.15143	1.3
203.10669	3.1
210.12776	1.3
214.12308	2.7
214.15906	0.8
228.13814	1.3
230.18919	1.2
230.24791	1.8
240.18245	1.2
241.14595	0.7
258.18530	100.0
258.27902	55.9
259.16776	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	258.1854
Annotation	DEXTRORPHAN
Peak:m/z	Relative Intensity
51.26195	0.4
55.05510	0.7
55.95865	0.4
56.96567	1.9
57.03426	0.6
57.07066	1.8
58.06594	0.7
58.13736	0.4
64.08401	0.4
67.05496	1.0
69.07064	0.5
69.49404	2.4
70.57721	0.4
71.08652	0.7
72.08156	2.7
79.05494	0.7
81.07037	0.7
82.34147	0.3
88.77554	0.3
90.09184	1.8
91.05476	1.1
93.07019	0.4
94.06517	0.4
95.04980	0.5
98.97559	0.7
105.07022	0.5
106.06550	0.5
107.07362	0.5
113.95334	0.4
115.05453	0.5
116.98609	1.3
118.06532	1.1
119.08588	0.9
120.08094	1.6
129.07008	5.2
131.07303	1.1
131.08545	0.5
132.08081	3.4
133.08873	0.5
133.10068	0.5
134.09647	0.7
134.99646	1.0
140.80060	0.4
143.08588	1.0
144.08195	0.7
144.09328	3.0
145.08870	0.6
145.10023	0.5
146.09650	17.4
160.11217	64.9
161.11998	100.0
162.12328	1.9
165.07820	4.4
169.03497	0.6
181.95169	0.4
182.07712	0.4
185.13231	0.5
186.12788	2.9
200.14372	0.5
214.15857	0.9
221.97522	0.4
229.07457	0.5
230.19014	5.1
230.24722	0.5
258.18549	55.5
258.27896	14.5
259.12811	1.2
259.18802	0.9
273.39301	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.8
56.20850	0.8
56.96561	1.4
57.07068	1.1
62.06081	0.8
67.05501	1.2
69.07048	0.7
70.29569	3.0
71.08607	0.8
71.95268	0.6
72.08176	0.9
81.07054	1.1
91.05485	1.3
96.94286	0.7
98.97566	0.7
105.07022	1.3
116.98629	0.8
117.07020	0.9
118.06565	1.8
120.08065	1.5
129.07014	4.5
131.07335	0.8
132.08113	2.7
133.10086	0.7
134.99670	2.2
143.08528	1.3
144.08261	0.8
144.09334	2.6
145.08807	1.0
146.09648	17.1
151.07761	0.7
151.14354	0.8
156.40709	0.8
159.71709	0.7
160.10062	1.1
160.11205	59.7
161.11996	100.0
162.12297	1.7
165.07889	5.1
186.12794	2.8
195.34431	0.7
213.24025	0.7
219.40091	0.7
230.19044	7.4
252.96474	1.4
258.18536	49.3
258.27902	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	258.1851
Annotation	DEXTRORPHAN
Peak:m/z	Relative Intensity
54.31214	0.6
55.05497	1.8
56.96552	1.1
57.07068	2.3
60.81351	0.5
67.05499	1.7
68.47392	0.6
69.07056	1.9
69.11353	0.6
70.06580	1.1
71.08641	0.8
71.59892	0.7
71.60307	0.7
75.80262	0.7
79.05499	1.4
80.05009	1.3
81.07058	1.0
83.08614	1.5
87.73036	0.7
91.05492	2.0
93.07030	2.1
94.06549	0.9
95.08639	0.8
98.97547	1.1
104.04984	0.7
105.07030	4.7
107.08624	0.8
115.50399	0.6
116.98595	1.9
117.05724	0.8
117.07015	1.3
118.06554	3.4
119.08502	0.8
120.08080	1.6
121.10123	0.8
123.74619	0.6
127.45708	0.7
128.06198	2.1
129.07027	4.4
130.06502	1.5
131.07285	3.2
131.08514	1.2
132.08081	4.5
133.08969	0.8
133.10075	3.1
134.99651	1.6
143.08559	3.4
144.08080	3.3
144.09125	3.5
145.08861	9.8
145.09969	1.4
146.08485	1.0
146.09639	20.2
146.10760	1.3
158.09633	2.7
160.11208	86.1
161.11993	100.0
162.12314	1.4
163.14825	0.9
165.07817	5.4
199.16908	1.5
202.15887	2.6
202.21707	2.3
212.88921	0.6
223.20618	0.7
230.18932	0.7
230.24725	1.0
258.18524	73.7
258.27600	4.6
259.07391	0.9
259.09827	0.9
259.18698	1.4
275.97623	0.8
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
52.17762	1.3
53.03958	1.6
54.03448	2.1
55.01871	1.8
55.05499	4.3
56.05029	3.2
56.96557	11.9
57.07065	4.3
69.03426	2.1
69.07053	7.1
70.06587	8.9
70.75488	1.6
71.58030	2.4
72.04502	6.6
72.08150	11.6
72.93790	1.9
73.02911	1.7
74.02441	21.0
74.06068	2.4
74.09711	6.3
79.05486	4.2
81.03413	10.7
82.02940	31.9
82.06565	3.3
83.04981	2.8
83.06071	2.8
83.97591	1.4
84.04484	5.3
84.08142	8.5
85.02874	2.1
86.09697	6.1
88.54584	1.3
89.04353	1.8
93.07052	1.5
95.04940	1.8
95.06055	2.3
96.04478	2.4
96.08127	32.5
97.06548	1.5
98.06016	2.3
99.05564	9.5
100.03979	5.4
101.02393	1.5
107.54086	1.5
113.10760	100.0
114.05585	1.6
114.09155	5.4
116.98636	2.3
118.05013	5.5
120.08092	1.6
121.04025	3.0
123.09174	3.4
124.07626	2.1
124.99159	1.5
128.00191	1.8
130.08694	2.0
134.99675	1.8
138.05440	1.8
141.10220	1.8
143.00146	2.2
144.95731	1.7
145.06052	5.2
146.01251	4.6
146.04453	7.6
149.10732	16.1
150.96895	1.4
153.10233	2.6
161.01227	1.8
163.03876	3.8
164.02325	5.3
166.13370	4.5
174.00734	3.4
177.05943	1.6
177.10242	6.5
182.03415	3.5
185.05649	2.4
187.02750	2.8
193.81398	1.6
194.12878	85.9
195.11313	3.4
212.09264	1.7
212.13869	7.3
213.12564	2.6
228.98029	1.8
230.08829	3.1
230.24835	2.1
234.98985	2.6
240.13390	12.3
241.07071	1.9
241.11841	35.3
258.00742	1.6
258.06924	1.9
258.09854	2.5
258.14511	39.8
258.17212	2.8
258.24216	2.4
259.04221	10.3
276.07596	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	258.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56295	0.3
53.03937	0.3
55.05493	0.5
56.05035	3.0
56.96568	1.6
61.02970	0.4
66.00777	0.3
67.05497	0.6
69.03419	0.7
69.07046	0.5
70.06589	1.1
70.64426	0.8
72.08138	0.9
73.02908	0.4
74.02428	0.6
74.06063	0.4
76.23330	0.3
80.05042	0.4
81.03419	4.7
82.06570	0.9
83.05011	0.4
83.06100	0.8
84.04502	24.4
84.08140	92.6
85.02899	0.5
86.09708	1.1
88.04004	0.4
94.06544	0.4
96.04475	0.7
97.02886	0.6
98.97598	0.8
100.02182	0.8
100.62537	0.4
101.10770	2.4
102.05550	1.0
106.06592	0.4
110.06001	0.5
110.07153	0.5
111.09210	1.0
114.05553	0.8
116.98603	0.6
119.01882	0.6
129.10234	100.0
130.04993	6.5
134.99689	0.4
146.02672	0.6
146.99702	0.4
149.10744	0.3
155.08083	0.4
156.04773	0.4
164.02286	0.5
177.05910	0.7
195.11273	2.9
199.02097	0.7
201.12370	0.4
212.08786	0.5
226.07211	0.5
240.13423	3.1
241.11717	0.7
258.09650	0.4
258.14514	3.7
259.04276	4.1
266.69827	0.4
276.07617	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81736	1.2
56.75570	1.4
56.96546	1.7
57.07064	2.0
61.45757	1.1
67.01591	1.6
69.70879	8.9
71.79903	1.1
78.28560	1.3
81.01914	5.5
83.29420	1.1
88.07603	1.9
89.34357	1.2
95.03463	100.0
98.01070	1.1
101.97526	1.5
108.04210	15.6
122.05789	3.0
127.02409	18.1
134.99652	1.4
136.07309	14.2
137.08102	24.1
150.08890	34.8
152.06807	37.7
161.11937	1.7
164.10443	3.4
168.09962	1.9
169.07057	14.2
178.12003	14.2
179.12791	3.0
179.50854	1.5
194.11523	23.6
202.21515	1.9
211.11775	8.8
230.73654	1.4
252.96429	1.8
257.26599	6.3
258.11334	56.4
258.27393	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05508	9.7
56.47794	1.2
56.96554	5.4
57.03440	2.4
57.07061	4.7
59.04995	1.5
67.05170	2.2
67.05502	31.4
69.07075	8.5
69.51415	6.5
69.51823	3.3
71.04990	2.2
72.08157	3.5
79.05490	12.1
81.07056	18.4
83.08600	4.3
85.06549	2.6
90.09209	1.6
91.05476	22.9
93.07052	8.5
95.04989	3.6
95.08609	11.1
97.06566	1.6
97.10184	1.6
98.20787	2.6
98.97581	12.3
103.05396	1.9
105.07030	24.9
107.08588	8.4
109.06516	2.1
109.10155	11.9
113.58485	1.2
115.05460	3.5
116.06226	2.5
116.98621	17.6
117.07014	35.4
117.98989	1.2
119.04891	1.5
119.08576	11.8
121.10144	43.3
122.62643	1.2
123.08069	2.8
123.87812	1.2
124.42751	1.3
128.06186	9.4
129.06999	28.6
130.07761	2.6
131.08568	65.1
133.06534	2.1
133.10158	10.3
134.99660	17.3
135.08044	7.7
135.11700	2.4
137.09627	2.9
140.00188	2.6
141.06975	10.9
142.07747	6.0
143.08556	31.3
144.09352	1.6
145.06462	2.3
145.10123	100.0
147.08012	1.8
147.11684	4.7
153.00693	3.0
153.06985	1.3
154.07753	1.9
155.08563	16.3
156.09294	2.1
157.10126	29.0
158.01292	1.6
159.08044	2.4
159.11682	35.6
161.09630	3.1
161.12016	2.2
161.13229	2.3
163.11172	2.5
168.09268	3.3
169.10117	18.6
171.11687	38.2
173.09747	3.2
173.13258	20.4
175.11272	2.7
181.10236	1.4
182.10974	2.2
183.11688	28.6
185.13290	7.9
187.11220	4.3
187.14746	1.4
189.12592	1.3
190.95364	2.7
195.11629	1.7
197.13249	21.2
199.14813	16.2
201.12689	3.3
211.14786	4.2
213.16306	7.0
215.17914	3.4
229.19489	2.9
232.96384	1.6
239.17946	39.7
256.96506	2.6
257.11285	8.4
257.19006	98.7
257.26682	11.2
257.30298	3.9
258.19180	2.0
258.27991	12.5
274.97546	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
55.05502	2.4
56.05035	21.4
56.96549	2.5
57.03425	1.5
57.07050	1.0
69.03416	1.4
69.07063	4.8
70.06590	1.6
71.04991	1.2
71.06089	1.0
71.08631	32.3
72.04507	2.0
74.06071	1.3
76.94486	0.8
79.05487	1.6
81.03397	1.5
81.07040	2.6
82.02943	9.9
83.01335	3.6
83.04949	1.1
83.06097	2.6
84.04503	65.2
85.02904	2.7
85.06544	1.2
86.09711	2.5
88.11268	66.1
91.05463	2.7
93.07031	2.3
95.04973	1.0
95.08607	1.8
95.39327	0.7
96.04496	3.5
97.02874	1.3
97.06529	1.3
98.06036	4.5
98.97559	4.3
99.05572	5.6
100.03978	100.0
101.04310	1.2
102.05528	10.4
105.07030	2.2
107.08606	1.3
109.10198	1.1
110.02402	4.0
112.07630	1.1
114.05540	1.3
116.98609	2.8
119.04916	0.8
123.08050	0.9
124.03932	1.7
125.09611	1.0
126.05514	5.2
127.05049	6.6
128.03442	38.4
129.13899	0.9
130.04976	1.5
131.08527	0.8
134.99648	2.4
138.53026	0.8
142.04990	3.3
144.06538	1.8
146.04515	3.8
146.99680	1.1
147.11702	1.0
149.01291	1.1
150.96869	0.8
151.05040	1.6
152.03458	3.3
152.10709	2.7
154.06181	0.9
154.12259	5.1
158.11765	0.9
158.97386	1.0
158.99615	0.9
169.06308	1.1
169.13361	9.9
170.11766	35.4
171.14917	11.4
173.05969	1.9
187.14502	1.0
191.02203	1.0
197.06349	1.4
197.12863	23.0
198.11252	48.3
200.04659	0.8
211.14418	11.7
215.13907	23.4
216.12331	3.6
216.14229	0.8
221.12933	1.6
229.04980	1.9
229.08670	1.1
229.15596	1.0
229.46170	1.0
234.99037	1.7
239.13887	14.0
257.04456	3.5
257.08151	4.0
257.14975	42.3
257.26752	1.7
258.13168	1.0
277.37015	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01863	0.9
55.05518	1.2
56.96557	2.5
61.02922	8.9
61.66370	0.7
65.03946	1.4
67.05495	2.0
69.03419	1.8
69.07059	2.0
70.06571	1.4
71.08595	0.8
71.14558	1.0
71.14877	1.2
79.05479	5.5
81.03419	3.4
81.07047	3.2
83.04980	1.4
84.04514	2.6
84.08131	1.0
85.02909	1.4
86.09699	3.4
91.05478	6.3
93.03404	1.6
93.07041	1.4
94.04145	0.9
95.04983	5.1
95.08609	1.3
97.02888	1.0
98.97585	2.4
103.05488	1.4
105.04542	0.9
107.04945	4.2
107.08625	1.2
108.05746	1.8
109.02875	1.2
109.06488	6.1
110.07156	1.3
111.04427	3.6
112.07570	1.3
113.02386	1.1
116.98614	2.9
119.04867	1.2
119.08569	1.7
121.02891	1.2
121.06512	3.9
122.03620	1.7
123.04436	2.0
123.08062	1.5
124.05183	4.6
125.06087	1.0
129.06978	0.8
130.05087	0.8
131.05014	0.8
133.02835	1.1
133.06509	1.2
133.07889	0.8
133.10112	1.5
134.99667	1.3
135.04430	2.4
136.05200	4.0
137.02345	1.3
137.05962	4.8
138.06766	8.0
139.03902	12.1
139.07565	6.3
147.04362	1.5
148.05188	3.3
148.07596	1.0
149.05913	1.0
150.06744	2.2
151.03906	1.9
151.06297	0.8
151.07535	30.2
152.04692	7.6
153.05482	4.2
154.06241	100.0
155.05011	1.2
155.06618	0.9
162.06795	0.8
163.03923	3.3
164.04688	1.1
165.05446	2.8
165.06815	1.1
166.06258	1.7
167.07063	9.5
168.07773	4.9
169.08597	64.9
173.05998	2.3
177.05440	1.5
178.06256	3.8
179.03407	2.3
179.07028	15.0
180.07817	3.1
180.66187	0.7
181.08585	2.7
185.08147	1.2
188.04749	2.5
193.05026	1.9
193.08566	6.3
194.05716	12.8
195.04706	1.9
195.06517	38.1
196.07326	3.6
197.06320	1.1
197.08127	2.0
197.12958	1.3
198.05222	0.9
206.05783	1.1
208.07317	2.5
209.08057	9.6
211.07724	1.2
211.09645	15.2
221.08087	28.7
229.05014	1.9
234.36430	0.9
234.99028	1.4
239.09122	18.3
240.28320	0.9
257.04416	3.6
257.08011	3.5
257.10492	5.3
257.15253	1.9
257.26660	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0814
Annotation	Nicotinate riboside
Peak:m/z	Relative Intensity
53.03936	0.2
55.05501	0.4
56.96561	0.7
57.07072	0.6
69.03436	0.2
69.05917	0.3
70.06580	0.5
71.05000	0.4
71.08624	0.3
71.58636	0.3
72.08167	1.2
74.06090	0.3
76.45544	0.2
78.03474	0.3
79.05450	0.2
80.05013	3.4
81.03411	0.7
84.08138	0.3
88.07632	0.7
89.03896	0.5
91.05458	0.3
91.16364	0.3
94.06477	0.4
96.04486	3.0
109.01369	0.5
117.03371	0.3
119.01933	0.5
124.03952	100.0
125.04288	1.0
127.02421	1.0
129.10155	0.3
135.04393	0.5
137.02991	0.3
145.03473	11.7
161.01173	0.3
163.04169	1.0
163.04390	1.0
168.05077	0.9
169.03462	7.3
187.04517	9.1
192.01810	0.3
192.05038	0.8
210.06042	0.8
210.07721	0.5
215.03987	0.5
241.24564	0.3
251.06134	1.0
256.08167	7.2
256.11862	0.4
256.26373	3.1
269.07242	0.6
274.07806	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0813
Annotation	Nicotinate riboside
Peak:m/z	Relative Intensity
53.74680	0.3
55.01873	3.5
56.05001	0.3
56.96568	0.7
57.03194	0.3
57.03438	4.4
57.98307	0.4
59.05001	0.6
61.02917	1.1
62.90918	0.3
66.27531	0.3
67.56063	0.3
69.03423	2.3
69.60751	1.4
69.61173	1.1
70.06602	0.4
71.01340	1.2
72.08154	0.7
73.02908	2.6
74.90479	0.3
75.42715	0.3
80.05008	1.5
81.03417	0.4
83.06093	0.8
85.02897	3.4
87.04453	0.4
96.04482	1.4
97.02888	1.4
97.07645	0.4
98.20796	0.7
99.04438	0.4
110.07166	1.3
111.07494	0.5
114.05516	0.7
115.03934	1.5
119.01929	0.7
123.05535	1.1
124.03949	100.0
125.04303	0.8
127.05007	0.5
131.01886	0.5
133.04968	3.5
145.03494	1.3
153.05786	1.0
155.08127	3.2
169.03453	0.6
187.04538	1.2
210.12369	0.6
226.44012	0.3
256.08411	0.5
256.12927	1.1
256.26437	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01868	2.5
55.05504	0.4
55.92149	0.2
56.05024	0.8
56.96556	0.2
57.03435	4.8
57.07077	0.2
59.04991	0.8
61.02929	1.7
61.41707	0.2
66.23352	0.2
68.05026	0.5
69.03428	3.1
69.04518	0.3
70.06583	0.5
71.01354	1.4
71.04991	0.2
71.58718	0.3
71.59100	0.2
72.08163	0.3
73.02916	2.6
79.04247	0.2
80.05012	2.0
81.03407	0.5
81.04541	0.3
82.06583	1.2
83.06104	2.6
84.04501	0.6
84.08144	0.3
85.02901	3.7
86.06068	1.1
87.04460	0.9
88.07620	0.2
95.05004	0.2
96.04495	1.1
97.02888	1.5
97.07667	1.1
99.09194	0.3
101.02374	0.5
103.03946	0.6
107.66074	0.2
109.04004	0.3
109.07623	0.7
110.07155	0.7
111.09118	0.2
114.04302	0.3
114.05532	5.5
115.02473	0.5
115.03927	2.5
119.01889	0.6
123.05533	0.3
124.03948	100.0
125.04330	1.1
127.04092	0.3
127.05029	2.2
127.08660	1.5
128.00217	0.2
128.07092	0.2
128.98619	0.3
129.01833	0.5
131.01941	0.4
131.05531	0.4
133.04961	3.5
133.05957	0.2
143.03419	0.3
145.03416	0.9
146.01254	0.3
147.02936	0.2
149.06642	0.2
150.06662	0.5
153.05743	2.4
153.55898	0.6
155.08142	13.0
157.01274	0.4
161.03104	0.4
161.04477	0.8
161.06677	0.8
162.06354	0.9
162.56459	0.2
169.03467	0.4
171.02876	0.3
174.02444	0.2
187.04541	0.6
189.03944	1.5
196.07220	0.8
203.05531	0.5
204.03656	0.3
210.08784	0.4
210.12410	0.6
211.05730	0.3
212.04147	0.3
233.01428	0.4
233.05103	0.2
237.04126	0.2
239.10262	0.5
251.02597	0.4
256.03091	0.7
256.09030	0.8
256.12936	5.3
256.26361	1.1
274.04193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1588
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03938	4.7
55.01862	5.8
55.05508	33.5
56.96556	5.2
57.03436	58.1
57.07060	7.3
67.05501	89.4
67.05866	4.4
69.03419	5.0
69.07069	32.9
70.06606	3.3
70.11924	7.6
70.12326	3.7
70.69398	2.4
71.01353	5.7
71.04989	9.3
79.05490	76.2
81.03399	9.7
81.07052	38.2
82.02123	2.5
83.04981	26.3
83.08601	9.6
84.49784	2.4
85.06526	6.7
91.05470	36.7
93.06468	5.5
93.07037	97.2
95.04951	10.3
95.08613	16.5
97.06521	24.1
97.10171	15.8
98.98444	11.8
99.08052	4.2
102.09207	4.3
105.07014	7.9
107.04935	3.4
107.08591	62.7
109.06525	3.1
109.10136	11.4
111.08057	4.3
112.47397	2.4
117.07010	8.4
119.08563	14.3
121.06479	4.4
121.10135	12.3
123.11705	3.0
125.09586	5.5
130.07773	2.6
133.10100	6.1
134.99628	2.8
135.08041	3.0
135.11687	100.0
143.08551	3.8
145.10106	20.1
153.12741	5.7
163.11125	11.9
173.29398	2.4
176.73257	2.6
181.12242	13.6
208.99661	2.6
255.10287	4.7
255.15796	61.5
256.26324	12.2
274.14963	2.6
279.13010	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	255.159
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
53.03930	0.8
55.01859	0.8
55.05506	15.6
56.96566	1.5
57.03427	1.5
57.07063	1.7
57.37341	0.7
57.60613	0.7
61.07042	0.7
65.03931	1.7
67.05500	24.3
69.03426	1.8
69.07060	8.7
70.06588	1.4
71.04978	5.7
71.65313	0.7
79.05487	5.4
81.03416	1.3
81.07050	26.6
83.04970	5.6
83.08610	1.9
84.08154	0.8
85.02859	0.7
85.06539	2.2
91.05473	5.6
93.07040	17.5
95.04357	1.3
95.04964	21.0
95.08600	100.0
96.04497	1.5
97.02873	0.7
97.06534	8.3
97.10163	14.8
98.97594	0.9
98.98462	3.8
99.04453	5.7
99.08083	1.3
104.63333	0.7
105.07027	6.0
107.04931	1.1
107.08589	7.1
109.06515	7.6
109.10159	2.1
111.08071	2.4
113.05991	3.0
113.09669	1.1
114.38153	0.8
117.07045	1.8
119.08561	5.4
121.06506	5.4
121.10120	6.0
123.08064	12.4
125.05975	6.1
129.07016	1.0
131.08548	3.8
133.10133	1.9
135.08040	0.9
135.11684	1.7
135.59149	0.7
137.05948	1.4
137.09570	1.2
139.07545	1.2
141.05466	6.5
141.09091	1.0
143.07054	5.1
143.08646	0.7
145.03473	1.4
145.10130	2.3
147.04411	0.8
147.11696	2.0
149.13254	8.4
157.10132	1.6
158.10582	0.6
159.06554	2.0
159.07961	1.0
159.10252	2.0
159.11652	10.4
161.09564	0.7
169.08589	1.1
173.13237	5.2
177.12738	21.3
183.11783	0.7
187.04478	1.2
191.12602	1.5
191.14297	14.6
192.05191	0.7
195.02916	0.8
195.12263	0.8
195.13779	4.3
201.12807	2.1
210.14876	1.3
219.13824	5.5
227.07074	0.8
232.90892	0.7
237.14824	53.0
238.14395	3.6
255.06511	1.2
255.11481	0.8
255.15831	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	254.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	21.8
60.00012	14.0
70.06472	72.7
81.03403	23.6
83.05030	15.0
83.06098	14.6
92.94018	16.4
94.92985	32.7
95.06098	38.2
98.20865	24.5
106.06590	28.7
107.06886	33.0
110.07159	78.2
111.83189	14.3
123.05533	82.8
138.13219	14.7
167.11786	21.3
168.20868	14.8
172.09602	16.3
189.08546	18.0
190.09776	22.3
194.12744	13.9
195.11272	96.7
208.10786	49.9
218.09869	15.8
254.11426	100.0
254.16068	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	10.9
60.04525	11.1
61.02932	9.5
69.03445	2.9
70.90691	7.2
71.01357	7.5
75.04462	15.9
87.04486	3.6
89.02413	5.8
101.05221	4.6
103.03953	21.8
120.08117	6.7
121.08426	11.0
125.24496	3.3
131.03453	5.4
143.00089	3.9
159.02872	59.2
159.12784	3.7
166.08624	4.3
167.08981	6.5
180.71243	3.5
187.02328	4.7
215.82121	3.9
219.04979	100.0
249.02930	5.8
267.03833	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	254.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	31.3
57.47795	3.5
60.04518	5.5
61.02915	4.9
69.03421	10.6
69.44373	7.8
69.44782	27.2
70.06595	21.6
71.01354	43.0
72.08161	7.3
72.79032	3.9
75.04465	7.6
80.05054	3.8
81.03412	15.6
81.07057	6.2
82.06576	7.8
83.06093	8.7
84.04495	8.1
84.08149	20.4
85.02937	5.2
86.09700	6.7
93.04520	9.1
95.04971	3.6
95.06084	11.3
97.02928	6.8
97.07624	4.1
98.06067	10.7
98.97591	6.1
98.98468	11.8
103.03947	23.6
106.06537	7.4
107.06876	7.3
109.07611	4.6
110.06045	3.8
110.07160	51.9
111.00781	5.6
113.02355	5.3
113.16671	4.5
116.03484	4.6
116.98647	6.6
117.01919	6.2
120.08124	4.0
121.06512	45.2
121.08493	5.2
125.07095	7.8
129.10141	4.9
131.03400	46.6
133.04951	4.4
133.93289	3.5
136.07591	8.6
137.07965	4.6
143.00142	10.0
143.03397	3.7
145.04930	10.1
146.99622	5.8
155.99698	4.1
157.05011	18.9
159.02885	100.0
161.01262	11.4
163.03915	11.3
163.05965	6.6
163.12335	12.9
167.11794	10.1
173.04391	3.8
174.00862	7.3
175.83841	3.9
180.10248	15.9
190.13368	7.8
191.02397	4.1
191.05519	9.5
194.12886	5.5
195.11285	48.8
196.07642	4.1
208.14395	25.9
208.95969	3.8
209.12801	3.7
219.05011	55.7
231.01750	5.2
237.06123	9.2
249.02826	12.6
254.11646	7.9
254.15318	38.2
267.03897	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	254.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56381	2.0
56.96573	9.9
58.38432	2.0
61.02916	8.2
69.67067	14.0
71.01337	7.4
75.04477	17.2
81.03378	2.3
87.04460	5.5
98.98442	3.2
103.03929	18.3
103.43948	2.2
107.04939	2.3
124.99066	2.6
131.03389	4.5
143.00157	10.7
159.02884	43.8
161.01218	13.7
163.03941	2.4
179.02292	3.1
187.02310	3.3
219.04994	100.0
249.02730	10.0
267.03876	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	254.1611
Annotation	CI 4
Peak:m/z	Relative Intensity
54.45241	0.3
55.05468	0.7
55.05716	0.3
56.96492	1.3
57.03387	0.4
57.63328	0.3
59.04178	0.3
60.04470	0.5
65.42652	0.3
67.05470	0.3
68.04963	0.5
69.03382	0.3
70.06518	16.1
70.06938	1.2
71.58611	0.6
79.05455	0.3
80.04955	0.6
81.03349	1.2
81.06981	1.2
82.06512	1.0
83.06105	1.6
84.08092	0.4
88.07563	0.9
91.05402	0.4
93.04465	0.8
93.07016	0.5
95.06071	1.9
97.03989	0.3
97.07668	1.6
98.06053	14.8
98.90598	0.4
98.98415	1.2
100.07527	0.3
107.06768	0.3
110.07164	7.4
112.08664	1.1
116.98599	0.3
120.08106	1.7
121.06508	5.0
121.08408	2.0
122.09662	2.2
123.04393	0.4
123.05543	0.6
125.07117	19.6
135.18117	0.3
136.07520	0.3
141.78630	0.4
148.07506	0.8
150.09184	1.8
150.10173	0.4
153.06528	0.5
154.07338	0.9
154.08519	0.4
161.01169	0.9
163.03914	0.4
163.12296	3.4
166.13403	1.5
167.11803	21.9
180.05119	1.2
180.10184	1.3
190.13356	1.0
193.09720	0.4
194.11270	0.6
194.12903	8.4
195.11290	100.0
196.08662	0.3
196.11644	1.5
208.09566	0.4
208.14456	4.6
212.13908	0.7
220.10924	0.7
222.07381	0.5
236.03056	0.3
236.12965	0.5
237.13512	3.6
249.02960	0.9
254.16177	71.0
255.16362	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1796
Annotation	Trichodiol A
Peak:m/z	Relative Intensity
53.00463	1.1
53.03925	3.4
55.01862	2.2
55.05505	30.2
56.96561	19.8
57.03188	1.3
57.03433	21.9
57.07069	3.4
65.03920	3.1
67.05500	69.1
69.03400	1.6
69.06720	2.1
69.07063	26.8
70.14279	6.0
71.04962	4.3
71.95233	2.1
79.05065	2.0
79.05489	30.4
81.03420	1.3
81.07052	98.6
83.04953	4.2
83.08617	18.3
85.06523	3.2
91.05466	28.2
93.06462	2.0
93.07034	29.4
95.04946	3.9
95.08600	100.0
97.02876	1.7
97.06514	11.5
97.10155	5.4
98.97559	1.9
98.98463	32.3
99.08057	3.9
105.07022	27.4
105.07681	0.8
107.04958	2.2
107.08581	9.0
109.06502	4.2
109.10145	14.6
111.08052	4.5
113.09663	1.3
116.98645	1.5
116.99479	2.4
117.07004	2.3
119.08570	26.1
121.10123	5.9
123.08044	3.9
124.66650	1.1
127.07583	1.7
129.05444	4.0
131.08548	2.5
133.10117	18.3
135.11711	7.9
137.09569	4.3
137.13257	8.0
143.08543	1.4
145.10144	1.1
146.99663	1.7
149.01216	1.5
151.14761	2.1
155.08551	1.8
161.11972	1.7
161.13251	27.2
163.03880	2.5
163.14957	1.3
164.04926	2.4
177.00632	1.8
179.14287	8.2
183.11790	1.2
192.36243	1.1
197.11653	2.8
207.08133	1.5
223.09904	1.6
234.61986	1.2
235.09866	1.2
241.11053	6.7
253.08502	4.6
253.11124	10.4
253.17938	62.9
259.12186	11.2
271.12137	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	253.216
Annotation	(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid
Peak:m/z	Relative Intensity
53.03933	4.7
53.84150	2.4
55.05509	50.4
55.62877	2.9
56.87471	3.4
56.96564	43.6
57.03428	5.1
57.07076	18.4
59.05028	2.9
67.05161	5.2
67.05498	54.5
69.03426	4.3
69.07063	75.6
71.04978	8.1
71.08646	4.2
71.20627	5.3
71.95262	5.8
79.05487	24.1
81.03438	3.7
81.07051	89.4
83.04986	6.8
83.08611	47.7
85.06554	10.3
91.05490	19.3
91.09393	2.5
93.07035	30.4
93.72212	2.9
95.04961	7.3
95.08599	67.1
97.02863	6.1
97.06516	11.5
97.10165	33.5
97.89297	2.9
98.97571	8.7
98.98461	100.0
99.08073	10.6
105.07010	19.1
107.04974	3.7
107.08582	25.0
109.06512	2.9
109.10138	28.3
111.08062	11.1
111.11723	15.0
112.17580	3.3
113.09638	5.2
115.05477	3.0
116.98624	10.3
116.99465	4.1
117.07008	2.9
119.08586	18.5
121.10124	35.7
123.08047	4.5
123.11655	13.8
125.09608	6.1
125.13207	3.3
128.98523	3.4
131.08592	3.4
133.10124	18.1
134.99600	6.2
135.11664	28.3
137.09636	5.7
137.13257	8.9
139.11189	5.7
141.05417	5.5
146.99644	3.7
147.11682	13.0
149.01245	4.4
149.13242	7.8
151.11137	3.3
151.14853	4.8
153.12682	4.2
155.03831	3.8
158.99635	5.7
161.13260	8.5
165.06903	3.5
165.12756	4.6
175.14810	3.7
177.00719	4.0
193.19463	4.7
197.11642	8.4
206.99254	3.5
207.08069	3.4
210.06938	2.8
217.19455	24.8
235.10136	4.5
235.20590	16.4
241.10983	5.6
253.08549	11.2
253.11160	44.4
253.21617	23.0
254.15794	7.2
259.12140	6.1
271.12146	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1798
Annotation	Trichodiol A
Peak:m/z	Relative Intensity
53.03927	4.6
55.05265	2.6
55.05510	33.1
57.03191	2.3
57.03439	33.9
57.07063	3.2
67.05508	68.6
69.06732	2.0
69.07069	28.9
69.33208	15.3
69.33614	6.2
71.04987	4.7
75.61059	2.4
79.05506	33.2
81.03399	2.6
81.07056	100.0
83.04958	6.5
83.08632	19.5
85.06516	3.6
91.05476	34.9
92.05767	2.2
93.06551	2.6
93.07049	31.2
95.04939	6.7
95.08604	95.3
97.06531	15.2
97.10141	4.2
98.98454	28.8
99.08075	4.0
105.07018	27.3
107.08576	6.9
109.10172	12.1
113.09647	3.4
117.06993	3.6
119.08597	28.8
123.04626	3.0
123.08063	5.0
133.10138	21.1
135.11659	6.6
137.13191	6.4
161.13234	22.2
163.34534	2.2
179.14293	6.2
253.14183	3.6
253.17967	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1433
Annotation	Fascicularone A
Peak:m/z	Relative Intensity
53.03950	3.4
53.41146	1.5
55.01867	10.7
55.05510	17.7
56.96552	4.9
57.03434	4.5
57.07065	3.9
58.06598	1.7
65.03949	2.1
67.05501	32.5
69.03415	6.7
69.07061	20.6
71.04986	11.2
71.59260	2.5
73.27034	1.5
77.03876	1.9
79.05486	33.8
81.07053	70.0
83.04972	8.1
83.08616	11.2
85.02875	1.7
85.06548	7.7
87.04477	2.2
87.78194	1.7
91.05468	25.9
93.07037	68.4
95.04968	18.9
95.08596	40.9
97.06522	20.4
97.10166	2.7
98.97594	4.7
98.98465	42.8
99.04457	11.9
103.05511	2.3
105.07025	42.6
107.04959	6.6
107.08587	30.5
109.06511	31.1
109.10139	10.3
111.04430	2.7
111.08074	8.5
113.06005	4.9
116.98621	7.3
116.99414	2.9
117.07033	5.2
119.04955	3.4
119.08572	30.1
121.06497	86.8
121.10188	7.7
123.04421	3.2
123.08073	6.1
123.11720	4.8
125.05995	3.7
127.07534	18.9
128.06200	2.1
129.05528	1.9
129.07008	8.4
131.08549	9.5
133.06500	5.4
133.10127	19.5
133.98497	1.7
134.99669	2.7
135.04425	4.4
135.08058	16.9
135.11681	3.3
137.06000	5.2
137.09592	2.9
139.07530	28.8
140.10699	4.4
141.05458	4.3
141.06978	3.0
142.07753	5.5
143.08578	11.8
145.06541	1.7
145.10123	11.5
147.08060	6.7
147.11681	35.3
149.13272	3.0
151.07567	1.9
151.11211	2.5
155.08592	2.8
156.09305	3.5
157.08884	3.0
157.10114	25.2
158.99652	1.9
159.11711	7.7
160.08833	2.0
161.01324	2.7
161.09639	2.9
161.13261	14.9
165.06982	2.6
165.12808	9.5
168.10199	4.4
168.13904	3.5
169.08707	1.7
169.10164	1.6
171.08012	1.9
171.11674	20.5
173.09648	3.9
173.13261	3.6
175.07469	2.2
175.11169	27.6
177.00699	6.0
179.14230	2.9
181.10132	5.2
184.08856	2.8
189.12740	26.9
191.02238	1.9
193.12216	17.2
196.13380	7.8
197.11713	4.4
199.11160	30.6
207.13840	12.5
211.14906	1.9
217.12222	100.0
225.08974	1.6
235.10922	3.7
235.13274	75.5
253.14267	25.6
253.18097	9.8
253.21733	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	253.1435
Annotation	Fascicularone A
Peak:m/z	Relative Intensity
53.03939	2.2
55.01870	5.2
55.05508	12.7
56.96560	3.2
57.03413	1.1
57.07055	3.1
67.05499	18.2
68.99787	2.6
69.03416	3.7
69.07063	13.1
69.54529	1.6
69.54933	6.5
71.04981	4.0
79.01663	0.9
79.05487	13.9
81.03426	1.3
81.06573	2.1
81.07053	43.8
83.04973	6.1
83.08607	5.7
83.59501	0.8
84.04491	1.3
85.02914	1.0
85.06545	5.0
91.05470	11.6
93.07042	23.6
95.04955	6.8
95.08604	19.8
95.09222	0.9
97.02897	1.0
97.06528	11.5
97.10179	2.3
98.20833	1.3
98.97596	2.3
98.98463	24.6
99.04453	1.9
99.08086	1.0
100.11250	2.6
101.06058	1.0
105.07021	37.3
107.04929	1.6
107.08590	28.4
109.06506	15.1
109.10149	8.7
111.08085	3.9
113.05969	1.8
115.07584	0.9
116.98611	2.7
116.99461	1.6
117.07013	2.2
119.08572	25.3
121.06496	14.0
121.10144	23.9
121.11006	1.2
123.08074	10.7
123.11700	39.4
125.05991	1.2
125.09622	1.0
125.96181	0.9
127.07539	8.7
129.07004	1.7
131.08626	2.2
133.06461	1.1
133.10121	5.9
135.04466	1.3
135.08026	3.9
135.11714	1.2
137.06010	2.3
137.09627	3.3
137.13248	3.4
139.07541	12.2
141.05510	1.2
141.06950	1.9
143.08516	1.5
145.10109	3.6
147.11678	84.6
148.12009	1.0
149.09627	1.2
149.13272	2.0
152.10570	1.0
153.07025	1.2
154.12184	1.0
157.08771	0.9
157.10120	5.1
159.11661	2.1
161.01216	1.2
161.09605	1.4
161.13297	3.0
165.12746	100.0
171.11688	4.6
171.14903	2.2
175.11229	4.7
179.10736	1.2
183.13799	14.4
189.12776	6.4
189.16394	1.4
192.04156	3.3
193.12236	14.8
197.11748	2.7
199.11237	4.6
207.13786	6.8
217.12231	12.1
220.03693	5.3
229.14330	12.5
235.13235	11.1
235.16832	2.2
236.94046	1.0
238.04723	1.5
250.67372	0.9
253.06802	7.7
253.14206	5.0
253.19569	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	253.1434
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
51.46690	1.0
53.03930	3.0
55.01871	4.7
55.05304	0.8
55.05508	8.9
56.96556	3.6
57.03413	1.7
57.07051	3.3
59.04982	0.9
64.84826	0.9
65.03917	2.1
67.05176	1.3
67.05503	19.5
69.03423	6.6
69.07063	9.3
70.06583	1.2
70.94191	2.2
71.04981	9.5
79.05489	30.0
81.03423	3.0
81.07053	52.9
83.04983	6.3
83.08603	3.8
84.08127	1.7
85.02890	2.5
85.06543	5.8
86.58957	1.1
91.05475	17.4
93.07039	44.4
94.45586	1.0
95.04967	16.6
95.05556	1.9
95.08044	1.7
95.08607	23.5
95.09219	1.3
97.02884	3.4
97.06525	15.5
98.97551	1.9
98.97702	1.9
98.98460	36.5
99.04453	7.7
101.06006	1.1
103.05470	1.3
105.04459	1.5
105.07030	29.1
107.04949	8.1
107.08590	22.7
109.06511	34.2
109.10121	6.0
111.08084	5.5
113.06020	4.7
115.05405	1.1
115.07593	0.9
116.99503	3.1
117.07032	4.7
119.04941	3.1
119.08572	17.7
120.08071	1.4
121.06499	100.0
121.10146	5.3
123.04420	7.1
123.08055	7.1
123.11708	2.0
125.05997	5.4
127.07539	13.5
128.06189	2.5
129.06993	6.7
131.04942	1.3
131.08568	6.4
133.06464	4.2
133.10132	12.0
135.04436	4.7
135.08054	9.4
135.11702	3.0
137.06000	5.0
137.09604	2.8
139.07539	19.8
141.05452	4.0
141.06976	2.4
142.07753	4.7
143.07027	2.0
143.08546	10.8
145.06506	1.2
145.10110	7.7
147.04362	1.4
147.08037	6.2
147.11682	27.2
149.09573	1.7
151.07477	1.3
151.11145	2.1
155.08543	1.6
156.09308	6.0
157.06473	1.4
157.08629	2.7
157.10095	16.7
159.06599	1.0
159.08017	2.3
159.11699	1.9
161.05919	1.1
161.09618	1.9
161.13237	12.8
163.14844	2.0
165.07042	3.1
165.12787	5.1
166.07741	5.6
169.32858	0.9
171.08040	1.4
171.11679	17.0
173.09608	2.6
173.13202	2.3
174.10301	1.5
175.07687	1.2
175.11160	20.3
179.08612	1.6
179.10535	1.4
181.10098	7.7
184.08876	3.1
189.12750	25.6
191.10522	1.2
193.12234	17.5
193.13863	1.6
197.06071	1.2
197.11703	3.4
199.11180	35.8
199.13077	1.7
199.14874	1.8
207.13837	9.6
211.13127	1.4
212.07599	1.2
217.12234	82.6
234.33461	0.9
235.13280	32.2
253.08597	1.8
253.14302	23.7
253.18033	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1182
Annotation	H-TYR-ALA-OH
Peak:m/z	Relative Intensity
56.05027	1.1
58.71664	0.5
60.91420	0.5
64.12012	0.4
71.52932	0.7
75.73469	0.6
79.05484	1.4
84.04505	22.9
93.00060	0.5
94.06573	0.6
98.98463	1.4
101.03246	0.5
106.06556	100.0
107.06879	0.8
114.05527	1.2
116.71916	0.4
117.15308	0.5
118.06544	3.8
124.07597	3.6
126.44870	0.4
130.05009	2.2
130.06512	1.6
134.28500	0.5
142.05043	0.8
144.08092	2.3
154.06560	0.8
162.09149	1.4
171.09181	31.9
172.07585	3.0
189.10254	1.6
190.08667	1.2
215.08269	0.5
217.09717	23.6
218.08113	5.2
235.10783	23.0
235.13188	1.1
253.11838	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1432
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03940	2.7
55.01871	3.9
55.05506	6.6
56.96552	2.7
57.03426	1.3
57.07061	0.9
58.70375	0.7
65.03941	1.1
67.05502	15.8
69.03435	5.2
69.07059	5.8
70.84395	1.1
70.84748	1.6
71.04987	8.5
71.08659	0.8
75.05740	0.7
77.03893	0.9
79.05492	24.7
81.03413	2.2
81.07055	45.6
83.04978	6.3
83.08607	3.6
85.02907	1.8
85.06529	3.5
91.05478	18.0
93.07043	40.1
95.04968	13.6
95.08606	16.7
96.04515	0.7
97.02898	1.8
97.06525	13.5
98.97550	1.0
98.97811	1.2
98.98466	13.4
99.04462	7.1
103.05489	0.8
105.07026	25.1
107.04960	6.0
107.08596	18.2
109.02847	1.4
109.05774	1.7
109.06519	31.4
109.10123	3.9
111.04451	0.8
111.08100	3.9
113.06015	4.5
116.98623	1.0
117.07018	2.4
119.04966	1.9
119.08579	18.2
121.06503	100.0
121.10149	3.1
123.04444	4.2
123.08054	5.9
123.11671	1.8
125.05979	3.3
127.07563	10.8
128.06221	2.6
129.06996	7.1
131.08577	5.0
133.06502	2.9
133.10141	8.1
134.99596	0.9
135.04414	5.1
135.08040	9.6
135.11667	1.1
137.05954	3.2
137.09630	1.4
139.07542	20.1
141.05446	1.4
141.06989	2.6
142.03323	1.6
142.07767	3.4
143.06966	1.8
143.08571	8.3
145.06496	1.3
145.10121	8.7
147.08075	5.1
147.09052	1.0
147.11685	25.3
151.07564	1.5
151.11224	1.1
154.03471	0.9
155.08504	1.6
156.09335	3.7
157.06525	1.5
157.08609	2.8
157.10135	12.1
158.07256	1.2
159.08038	1.1
161.05907	1.9
161.09546	1.5
161.13251	11.3
163.03888	1.9
163.14799	1.8
165.06989	1.8
165.12761	4.0
166.07747	4.7
171.08069	2.7
171.11679	19.3
173.09636	2.2
173.13187	1.1
175.11205	16.3
179.06931	1.1
179.08504	1.2
179.10612	0.9
179.14442	0.9
181.10168	6.5
184.08850	2.6
189.12755	23.0
191.05200	3.8
191.10548	0.9
193.12236	15.9
199.11182	32.5
200.05704	2.5
207.13780	8.3
210.06778	1.5
211.13301	1.3
217.12239	74.5
218.12764	0.9
232.07317	1.0
235.10912	1.5
235.13293	28.7
235.16920	1.9
241.05478	1.2
241.07780	1.8
253.08650	2.6
253.14287	14.9
256.88461	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	1.7
68.05019	0.7
70.90514	0.5
70.98912	1.2
79.05486	0.8
84.04506	21.9
86.59167	0.5
94.06567	0.7
95.08610	0.6
98.98466	3.3
106.06555	100.0
107.06876	0.6
114.05529	1.6
118.06547	3.1
118.55540	0.6
120.08115	0.9
124.07591	4.5
130.05005	2.8
130.06540	1.7
136.06201	1.5
137.06511	1.0
142.04948	0.9
144.08101	2.0
154.06508	0.6
160.07643	0.8
162.09172	1.8
171.09181	29.1
172.07646	2.8
172.09854	0.7
189.10202	1.3
190.08696	1.5
204.22256	0.6
217.09717	23.3
217.52621	0.5
218.08200	5.3
218.10054	0.8
235.10773	28.2
236.11215	0.9
253.11780	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.109
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
54.61702	0.2
55.39114	0.2
56.96566	0.4
57.03405	0.2
60.04528	0.5
69.03426	0.5
70.06581	0.3
71.04980	0.9
71.55714	0.4
73.02901	0.8
80.05023	0.3
81.03409	0.6
81.07041	0.2
83.04971	0.7
84.04517	0.5
84.05286	0.3
84.08125	1.2
85.06528	0.3
86.09700	0.4
94.04048	0.6
95.06088	1.0
98.98461	2.7
99.04455	1.1
105.07013	0.4
106.06560	0.6
109.07727	0.3
111.96432	0.2
116.99454	0.2
117.05477	1.9
119.03545	1.0
121.05112	1.9
129.06558	0.3
129.10196	0.4
133.06479	0.6
136.06175	100.0
137.04570	0.9
137.06551	0.6
142.54866	0.2
151.04808	1.8
152.03214	1.3
152.05128	1.8
153.03493	0.8
160.07603	0.3
161.05934	0.3
169.05832	0.5
170.06131	0.3
171.09125	0.2
174.91228	0.2
178.07283	0.3
193.08513	0.5
193.13361	1.0
205.98706	0.3
234.09264	0.5
252.07307	0.6
252.10596	2.7
252.20686	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.6
56.96559	73.7
57.07073	0.5
59.97724	0.4
67.05502	0.6
70.88978	1.2
71.95255	8.9
72.96037	4.3
74.97603	1.4
81.00232	0.5
81.07050	1.2
84.96030	1.3
91.05514	0.5
92.98654	0.7
95.08594	1.0
97.96849	0.9
98.97565	0.4
98.98465	6.1
105.00175	0.8
105.07018	0.4
108.93655	0.4
109.10123	0.4
110.97523	2.3
116.99554	0.5
119.01727	0.7
123.01157	2.6
124.01532	0.4
128.98593	3.0
135.19601	0.4
137.02728	3.4
141.02237	1.6
146.61171	0.4
146.99625	3.1
147.03212	0.5
151.04268	1.0
155.03775	4.0
159.03296	0.4
161.01204	0.4
165.00719	0.5
167.03822	1.0
169.01773	0.9
169.05309	2.2
173.04811	0.9
179.07396	1.2
183.06949	0.9
185.04822	0.4
187.02789	0.7
187.06358	0.7
195.06924	1.7
197.08473	2.3
199.06288	0.6
207.10567	0.8
213.07968	0.7
223.09972	4.4
225.11671	0.6
229.07520	0.5
230.08302	0.4
235.09911	4.0
241.11082	45.8
247.08522	0.6
253.11081	67.7
254.11420	1.1
259.12152	69.4
260.12512	1.4
264.12711	3.5
271.12134	100.0
272.12527	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
55.05498	1.9
56.96556	2.3
66.75536	0.4
67.05478	0.7
69.03410	0.9
69.07064	1.3
69.59949	3.7
69.80116	0.4
71.04971	0.5
79.05485	1.3
81.03425	1.0
81.07050	1.1
84.04473	0.4
84.08160	0.8
85.02900	0.9
86.09667	1.0
87.00780	2.6
91.05472	1.8
93.07009	2.7
95.08559	0.7
97.02877	1.1
97.06542	1.4
98.06825	0.7
98.97539	0.9
98.98466	5.2
99.07162	0.5
103.05458	7.4
105.07047	0.7
107.04950	1.1
107.08623	0.9
111.07597	0.4
116.98620	1.2
118.06538	10.2
119.01829	0.5
120.08095	100.0
121.06518	0.7
121.08436	1.0
127.03920	0.9
128.04959	0.9
131.04898	0.7
134.99660	0.7
137.06017	1.0
138.06328	1.2
145.06502	0.5
146.06000	19.4
147.07935	0.5
149.01181	1.3
149.05948	0.5
156.03618	0.5
161.01248	0.7
163.97633	0.6
164.07111	1.0
166.08662	1.8
166.77187	0.5
171.06630	0.6
185.04803	0.8
188.07056	17.5
190.07346	0.4
192.06628	1.5
197.16599	0.5
203.05870	0.8
205.98727	1.3
206.08109	55.3
231.02029	0.5
234.07588	1.2
235.12285	0.7
237.02879	1.0
240.46651	0.5
252.09169	0.8
252.16367	0.5
252.19724	0.6
256.79892	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.4
53.03929	0.6
55.01862	0.4
55.05511	0.6
56.05028	1.9
56.96548	1.0
57.03421	0.5
57.07061	0.6
57.22628	0.4
65.03920	0.4
67.05490	1.0
69.03413	0.8
69.07054	1.3
70.06593	0.6
70.42303	1.3
71.04984	0.6
73.02914	0.6
77.14857	0.3
79.05489	3.1
79.30494	0.3
79.91975	0.4
81.03416	0.5
81.07064	1.6
82.54033	0.3
83.04973	0.7
84.04504	30.4
84.08127	0.7
85.02903	0.8
85.04852	0.5
86.09690	0.6
88.04015	0.3
91.05474	3.6
93.07048	1.7
94.06570	0.4
95.04945	1.4
95.08605	0.9
97.02861	0.4
97.06532	2.2
98.21387	0.5
98.98466	19.0
102.05545	0.7
103.05469	2.1
105.07028	100.0
106.06676	0.4
106.07360	1.3
107.04961	1.1
107.08605	1.2
109.06505	0.8
110.07158	0.5
116.98663	0.7
116.99474	0.9
117.03391	0.6
117.07001	0.8
119.04926	1.4
119.05682	0.3
119.08524	0.8
120.08102	3.8
121.06517	1.0
121.10134	1.0
122.09667	35.5
123.86254	0.5
125.06024	0.5
129.07120	0.4
130.05016	4.1
131.04849	0.4
131.08549	0.7
132.05830	0.4
133.06511	0.8
133.10017	0.4
134.99695	0.6
135.08055	0.7
136.07552	1.2
137.05963	3.3
138.06413	0.6
145.02786	0.5
145.06468	0.9
145.10123	1.1
146.06018	1.0
149.05951	0.7
149.09621	0.5
159.11761	0.6
161.05980	0.5
169.10033	0.4
173.06030	0.4
173.09685	0.5
174.05447	0.4
174.99289	0.6
177.05510	1.3
187.11159	0.8
189.09311	0.4
191.07001	0.6
191.10670	0.6
205.13408	5.6
206.08150	1.0
217.69685	0.3
233.11606	0.6
233.15361	0.5
234.11226	24.1
251.07028	0.7
251.09041	0.6
251.14091	7.8
251.16455	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1275
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
53.03952	7.5
55.01864	7.3
55.05508	10.6
56.96561	38.4
57.07067	5.7
59.05004	4.2
65.03931	5.5
67.05496	24.8
69.03408	10.5
69.07037	7.6
70.28405	5.7
70.28804	6.5
71.04987	26.8
71.95249	5.8
79.05498	33.3
81.03406	7.0
81.07052	56.0
83.04978	25.9
85.04865	2.7
85.06528	7.5
91.05484	49.8
92.19477	3.2
93.07037	65.8
95.04970	25.7
95.08591	21.2
97.02872	3.4
97.06507	15.0
98.96925	6.2
98.97576	98.8
98.98460	66.3
99.04446	16.2
103.05426	3.8
105.07019	58.8
105.47657	3.4
107.04955	19.9
107.08603	26.2
109.06512	71.0
109.10147	12.3
111.04423	7.4
111.08067	6.4
113.05971	3.2
115.05435	9.3
116.06346	3.6
116.19115	3.1
116.98629	95.5
116.99437	8.0
117.07015	30.3
119.04926	10.9
119.08540	24.2
120.35049	3.1
121.06505	22.2
121.10120	12.4
123.04391	3.3
123.08077	4.4
125.05965	12.0
127.07536	5.4
128.06230	6.3
129.07008	11.2
130.07751	8.9
131.04919	6.5
131.08565	34.2
133.06468	12.6
133.10144	7.8
134.99641	68.4
135.08041	30.1
135.11708	11.5
137.05971	64.3
137.09616	4.1
139.03978	3.1
139.07503	8.0
140.00163	4.4
141.07008	5.8
143.08589	13.4
144.09308	6.1
145.06464	14.7
145.10109	100.0
147.08037	12.5
147.11716	4.8
149.05952	4.5
149.09602	6.9
151.07538	9.3
153.00726	9.8
153.09103	9.5
154.07756	5.3
155.08575	9.3
158.07253	6.0
159.08063	3.8
159.11710	31.5
161.09607	6.2
163.07561	5.5
163.11163	29.5
165.07027	3.9
165.09174	4.4
169.10153	12.7
171.08034	7.5
172.08658	4.0
173.05972	4.5
173.09612	54.4
175.07455	3.8
177.12695	5.5
179.08524	4.6
181.12212	5.1
187.11179	46.5
189.12724	3.0
191.07047	4.6
191.08640	12.5
191.10669	55.0
193.08598	5.3
197.09618	8.3
205.12199	34.7
205.48250	3.3
207.10199	3.6
215.10661	41.9
219.08087	8.3
223.27483	3.1
233.08191	4.4
233.11678	44.2
234.12079	7.0
251.10489	10.3
251.12801	25.0
251.16467	9.4
251.20143	6.5
269.10587	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	251.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08444	2.5
53.03947	4.8
55.01865	9.4
55.05496	9.1
56.96563	25.7
57.07053	3.1
59.04994	20.5
65.03933	2.9
66.58734	3.1
67.05508	16.6
69.03425	8.5
69.07056	7.4
70.07363	3.4
70.26373	2.9
71.04988	17.3
71.50896	5.6
71.95217	2.7
79.05494	29.3
81.03404	4.1
81.07055	50.2
83.04974	6.3
84.04507	22.6
85.02886	4.1
85.06553	4.2
91.05482	28.7
93.07034	51.6
95.04967	24.7
95.08587	14.3
97.02867	3.6
97.06525	34.4
98.06866	13.9
98.96959	2.6
98.97579	58.9
98.98460	80.9
98.99113	4.0
99.04472	16.8
103.05490	5.1
105.07034	52.7
107.04961	9.9
107.07321	6.6
107.08588	19.4
109.06511	37.0
111.08072	7.6
113.06047	4.3
115.05381	4.5
116.06317	3.1
116.98629	59.6
116.99448	5.9
117.07033	19.8
118.83848	3.0
119.04940	19.4
119.08564	11.9
120.05252	3.0
121.06516	33.7
121.10133	5.6
122.09663	53.7
123.04418	3.4
123.08083	5.8
125.06017	3.6
127.07560	8.0
128.06212	5.5
129.06978	6.2
130.04951	3.8
130.07776	9.7
131.08560	35.4
133.06470	10.1
133.10138	6.9
134.99677	41.0
135.08029	8.7
135.11682	6.5
137.05978	52.6
138.06311	13.4
139.07544	13.2
140.00211	4.1
141.06972	7.2
143.08539	9.7
144.09312	9.8
145.06516	15.0
145.09030	5.5
145.10120	80.5
149.09604	3.5
151.07513	7.7
153.00719	6.5
154.07808	9.6
157.08592	8.2
157.10101	3.4
158.07236	5.5
159.08046	9.1
159.11708	44.8
161.05994	4.7
163.07573	5.9
163.11171	14.6
165.06949	6.7
169.10094	16.9
172.08847	7.2
173.06007	5.4
173.09625	37.0
177.09102	3.1
177.12775	3.2
179.08580	11.3
187.11179	100.0
189.06920	6.7
189.12788	4.0
190.07738	17.3
191.06998	4.0
191.08557	68.4
191.10664	28.2
197.09590	17.6
202.12251	3.8
205.10321	6.0
205.12180	36.7
208.08871	9.0
215.10666	73.1
215.14012	3.5
219.08104	25.6
220.08807	8.2
233.11696	42.5
233.15279	3.8
234.12076	21.5
236.08260	14.3
251.10686	42.4
251.12878	15.7
251.16455	4.3
269.10516	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	250.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.9
56.96563	0.9
57.03432	1.1
60.04506	0.8
60.69048	0.5
61.02923	0.8
69.03414	3.6
69.07070	0.8
70.06582	3.4
70.35081	1.7
72.08147	0.8
73.02914	0.8
81.03403	1.2
83.01366	0.5
84.08119	3.5
85.02897	18.9
86.06066	0.6
86.09708	1.8
87.10049	0.5
88.07624	100.0
91.05471	0.7
97.02875	3.1
98.21417	0.6
98.97525	0.6
98.98461	11.3
100.03981	0.6
104.10711	0.6
109.02861	2.4
116.07072	1.5
116.98669	0.6
116.99503	0.9
121.06506	0.4
123.04409	0.6
127.03901	3.0
136.06197	0.5
143.08548	1.3
145.04961	1.3
160.05211	1.1
161.06003	0.9
162.05502	1.1
164.07085	1.5
168.41107	0.5
171.08037	1.1
176.07104	0.6
177.07820	10.0
177.09296	0.7
186.11279	0.9
188.10663	0.6
189.09210	0.6
204.10316	0.6
204.12253	0.7
206.11745	38.4
207.12041	0.6
214.10712	0.6
232.11745	1.2
250.14444	13.7
250.17001	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01786	1.3
51.25642	1.1
55.01868	2.5
55.05510	6.4
56.05015	3.1
56.19201	1.1
56.96566	3.0
57.07069	4.2
58.06595	3.4
59.07388	1.8
60.04540	1.7
60.08163	8.6
64.91573	1.2
67.05516	1.9
69.03413	2.1
69.07068	1.9
70.02930	1.5
70.06586	7.8
71.04987	3.0
71.58837	1.7
72.04521	6.9
72.08156	32.9
72.53335	1.3
73.02904	2.1
74.02439	18.4
74.06071	3.2
75.03229	2.5
81.03404	2.9
81.07059	2.5
82.02940	3.7
82.06599	1.9
83.03729	5.2
83.04972	4.8
83.91332	1.2
84.04504	4.7
84.08138	7.6
85.02895	3.6
86.09705	2.2
87.03241	1.7
88.03979	2.7
88.07628	6.1
90.94805	1.4
91.05474	3.2
93.07054	2.0
93.78559	1.4
95.04917	1.6
96.04499	2.9
97.02876	2.1
97.06518	1.7
98.98466	100.0
99.05579	1.8
100.03967	2.6
102.05553	8.4
106.07957	0.9
106.08662	24.1
107.04980	1.8
109.06510	1.8
110.07183	2.0
115.06335	3.2
116.98659	2.4
116.99497	4.4
117.07095	1.5
118.05012	13.1
124.07512	1.4
125.06089	1.3
125.10757	1.7
130.08641	34.5
131.04944	1.3
136.07620	1.9
138.05501	1.6
140.01041	1.8
140.09416	8.5
145.06520	1.8
145.10512	1.2
146.04462	6.1
151.86809	1.2
153.10222	5.0
174.99193	3.5
177.09167	2.0
178.08385	1.8
179.04742	1.5
181.38232	1.3
187.08427	1.4
187.09143	2.0
187.10776	25.2
200.09196	4.4
201.36362	1.5
202.07137	3.1
205.98849	2.2
207.12102	7.5
208.06917	2.9
217.11845	1.7
219.07359	4.8
233.11404	7.8
233.22910	1.4
234.09746	8.7
236.09961	3.7
251.05138	1.7
251.09943	2.6
251.12376	12.8
251.14488	2.2
251.16727	2.2
251.20074	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	249.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	5.5
56.96575	3.7
67.05525	3.5
69.06715	5.4
69.07070	56.1
69.55128	2.8
70.05898	7.8
70.06297	6.7
71.08624	4.5
72.04519	6.4
73.02911	4.8
73.65923	2.8
74.02445	38.6
82.02942	25.6
84.04491	27.2
84.08125	11.3
85.06562	5.8
86.09709	100.0
87.08102	10.2
88.11288	7.4
96.04494	23.7
98.02396	3.7
98.21451	6.1
99.05594	7.9
100.03981	13.6
101.02373	3.1
104.10745	85.1
105.62067	3.5
118.05000	14.6
122.09676	4.5
129.59964	3.1
130.04974	4.8
134.99603	3.0
140.10666	4.1
146.04488	40.5
150.09164	8.5
157.13274	3.9
158.04486	3.8
167.11787	23.4
168.10204	22.2
185.12849	43.6
186.11230	10.2
196.09674	4.6
213.12379	22.8
214.10719	14.9
231.13405	31.9
232.11789	39.9
249.14493	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.6
55.01844	0.6
56.96539	0.7
57.03431	1.0
61.02913	0.8
69.03416	3.0
70.06596	3.5
70.35275	0.9
70.35677	1.3
72.08154	0.5
81.03409	1.5
84.08137	2.9
85.02902	18.4
85.08461	1.3
86.09684	0.6
88.07626	100.0
89.07948	0.5
91.03943	0.5
97.02897	3.1
98.97562	0.5
98.98463	6.2
109.02873	2.1
110.61219	0.5
127.03908	3.2
134.05994	0.5
136.06123	0.7
143.08594	0.9
145.05009	1.4
161.06052	0.9
164.07048	1.2
177.07826	8.0
188.32591	0.6
190.51102	0.5
206.11752	29.7
207.12083	0.7
250.14436	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	249.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.8
56.05022	1.6
56.96556	4.4
58.06598	1.3
58.14022	1.1
67.05512	1.4
69.07061	35.6
70.06580	1.9
70.14426	2.9
70.14819	2.1
72.04509	3.9
72.08163	1.6
73.02908	1.7
74.02438	28.8
82.02930	9.9
83.01312	1.7
84.04496	6.5
84.08138	13.5
85.04851	1.0
85.06528	1.3
85.08929	2.8
86.09699	100.0
87.08099	2.1
94.93002	1.4
96.04485	14.9
96.08130	1.3
97.02859	1.3
98.97572	11.5
99.04314	1.0
99.05584	8.7
100.03978	5.3
100.99152	2.0
104.10741	41.3
110.06045	1.6
111.05515	1.3
112.07604	1.1
114.09130	1.3
116.98615	8.0
118.05006	9.6
122.09635	5.6
124.07590	2.2
128.03432	1.9
134.99646	4.2
139.12289	2.6
142.08620	1.3
142.97626	1.4
143.00168	1.7
145.06068	4.8
146.04468	20.8
150.09128	8.0
151.04781	2.4
157.13406	1.7
161.01253	3.7
163.07112	1.9
167.02090	2.2
167.04298	4.2
167.11775	19.1
168.10187	4.6
183.01761	3.1
185.12843	18.8
186.11307	5.2
189.00674	2.8
196.09618	5.8
207.01711	7.3
213.12329	22.1
214.10730	20.1
231.13388	39.8
232.11752	15.1
249.14474	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	249.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.2
60.04518	7.8
61.68986	1.7
68.90848	1.9
70.02949	28.0
70.74571	5.8
71.01349	8.5
71.08627	52.6
71.09000	4.4
72.04518	4.7
73.02916	4.5
74.02439	28.7
76.03975	2.4
82.02936	6.9
84.04500	8.6
88.11263	87.5
89.02398	5.2
89.25442	2.4
96.08582	2.1
97.66586	2.0
97.98064	2.1
98.02404	60.1
99.00806	9.4
101.02354	3.1
112.03956	44.8
116.03435	12.7
126.01860	2.3
134.04521	5.1
153.05536	2.0
162.03976	48.5
168.10197	43.6
169.13393	3.7
185.12848	54.8
186.11223	4.5
203.13988	9.5
231.13351	14.4
232.11786	100.0
249.14435	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03480	0.9
55.01869	1.0
56.05014	1.1
58.06569	1.2
69.07066	29.7
70.06596	1.6
70.83844	2.2
72.04515	4.5
72.08152	1.7
73.02913	1.1
74.02441	22.6
75.40043	0.9
82.02936	7.9
83.01335	1.0
84.04509	4.8
84.08151	8.7
85.08948	2.1
86.09703	100.0
87.08089	1.1
96.04491	8.4
96.08120	1.6
99.05579	8.5
100.03973	4.8
102.05588	0.9
104.10739	22.5
107.08571	2.1
110.06046	1.9
111.05533	1.0
117.06622	1.1
118.05025	7.3
122.09663	7.6
124.07604	2.8
128.03442	1.5
138.09132	1.4
139.12289	2.7
140.10736	1.0
145.06075	3.8
146.04485	19.9
150.09123	7.0
151.97853	0.8
163.07214	2.1
167.11790	19.3
168.10197	4.4
185.12851	7.9
186.11272	2.8
196.09717	5.6
213.12315	18.5
213.14214	1.2
214.10739	24.0
231.13380	35.1
232.11737	6.9
247.00850	0.9
248.94701	0.9
249.14427	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	249.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61021	0.6
56.96564	45.7
57.07053	0.8
65.82700	0.6
67.05490	1.7
70.60202	0.6
71.58900	0.8
71.95249	2.5
72.10812	0.6
72.96004	1.0
74.97607	1.2
81.07057	0.9
84.96010	1.3
93.07051	0.7
96.98397	3.4
97.99162	0.8
98.97590	0.8
107.08549	0.9
114.99428	3.8
121.10121	0.8
129.98140	1.1
133.00465	4.9
134.01166	0.8
134.99646	0.8
137.05922	1.0
146.01215	1.5
147.99232	1.0
151.01591	0.9
159.03287	1.0
185.04836	0.7
197.08517	0.9
203.05807	0.6
208.09988	4.1
208.28288	0.7
209.08539	0.7
211.06372	1.6
224.09607	2.4
225.07970	1.6
226.11139	100.0
227.09500	1.5
227.11441	1.3
228.09016	0.9
229.09853	1.3
242.10675	1.5
244.12210	78.5
249.12787	5.8
249.14899	1.0
267.13788	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03952	0.5
55.01855	1.1
55.05497	0.6
57.03412	1.4
61.02922	0.4
67.05489	1.1
69.03419	5.8
69.07043	0.4
69.72362	2.3
71.04979	0.9
73.02893	0.6
79.05492	2.1
79.97629	0.3
81.03419	2.4
81.07030	1.2
85.02898	6.5
86.09719	0.9
87.00829	2.0
91.05476	9.2
93.07029	0.9
95.04956	1.1
95.08593	0.7
97.02884	4.4
97.06534	2.3
98.21517	0.7
98.97569	0.8
99.04447	1.8
100.03944	0.4
103.05447	1.9
105.01851	1.1
105.07013	3.4
107.04935	3.0
107.08557	0.7
109.02840	1.1
115.05449	6.6
116.06237	4.1
116.98617	1.1
117.07017	4.1
119.04918	0.8
119.08556	0.7
120.08096	0.5
121.06489	1.1
123.04397	0.7
123.08044	0.4
127.03911	4.9
128.06212	11.3
129.06999	24.0
130.07744	1.6
131.04948	2.1
131.08559	19.8
132.05676	1.2
132.08885	1.3
133.06461	3.2
133.10109	1.6
135.04434	2.0
137.05956	2.0
139.05318	0.5
141.06976	10.1
142.07762	5.4
143.04887	1.2
143.08528	3.9
144.05699	9.2
145.04852	0.7
145.06473	8.0
146.03551	0.5
146.07260	3.0
147.04349	1.7
147.08005	0.9
152.06183	1.6
153.07013	2.4
155.04857	0.6
155.06004	1.2
156.05649	1.9
157.06488	9.5
158.07274	3.0
159.04385	1.5
159.08043	31.1
160.05174	2.0
160.08432	1.6
161.05960	4.7
161.09599	7.5
167.07025	1.0
169.06387	2.0
169.07668	1.7
170.05872	0.7
170.07251	9.1
171.04402	1.1
171.08041	6.6
172.05154	3.4
173.05962	5.1
174.06761	3.1
175.07539	3.4
177.05539	0.9
177.09052	0.5
178.06210	1.1
178.09430	0.5
181.06384	0.6
184.05170	0.9
185.05934	0.9
185.09622	0.6
185.13016	0.5
186.06761	1.3
187.07533	18.7
188.04684	0.4
188.08211	1.3
189.05458	4.5
189.06934	0.5
189.07275	0.7
189.09085	10.5
189.10728	0.8
190.06201	1.3
191.07001	1.6
192.07698	0.7
193.08565	0.7
198.06754	2.3
199.07516	2.7
201.05437	2.2
203.06999	6.3
203.10519	0.5
204.07802	13.7
205.08650	2.2
206.09262	1.1
207.13826	0.6
216.07758	3.6
217.04958	0.9
217.08540	1.1
218.09326	1.5
219.10144	1.6
221.08154	0.9
221.11699	3.4
231.10110	6.8
231.13541	0.7
233.11774	1.7
234.08745	0.9
249.11192	100.0
250.11499	1.3
258.95325	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1121
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
50.57293	0.5
53.03949	3.9
55.01868	5.8
55.05493	0.7
56.96561	1.6
57.03436	5.2
61.02913	1.5
64.34570	0.5
67.05510	3.4
68.99805	1.5
69.03429	29.1
69.03812	1.4
69.07069	1.7
70.75311	1.5
70.75635	0.6
71.01345	0.6
71.04999	3.4
73.02908	2.8
74.02436	1.4
76.07233	0.6
79.05497	4.0
81.03420	15.4
81.07059	3.9
83.04978	1.0
84.08102	0.6
85.02906	36.3
86.09697	2.5
86.35365	0.5
87.00831	13.7
87.04481	0.7
91.05478	16.0
92.05788	0.6
93.07040	4.9
95.04963	3.5
95.08608	2.4
96.04522	0.8
97.02892	18.4
97.06525	4.4
98.97585	1.7
99.04463	10.2
101.02383	1.1
102.96843	0.7
103.05468	1.3
104.10715	1.3
105.01872	6.6
105.07034	8.2
107.04945	2.5
107.08614	3.2
108.04472	0.8
109.02877	9.2
109.04813	0.9
109.06529	1.8
109.10156	1.4
115.03928	1.6
115.05462	6.6
116.06252	4.1
116.98616	1.0
117.07006	5.6
119.04958	1.3
119.08584	4.3
120.97899	0.8
121.06497	2.0
121.10145	1.5
123.04411	1.0
123.08080	0.9
127.03922	18.6
128.06215	10.9
129.01898	0.7
129.07004	21.2
130.07758	1.1
131.04938	1.9
131.08565	20.4
132.05731	0.8
133.06485	4.3
133.10138	3.5
134.99553	0.8
135.04428	1.6
135.08060	1.3
135.11661	1.6
137.05995	2.3
139.05338	0.6
141.06979	10.6
142.07777	5.0
143.04936	1.1
143.08560	5.8
144.05707	9.3
145.04970	2.6
145.06490	7.7
145.10118	3.8
146.07260	2.8
147.04401	1.5
147.08052	1.8
147.11693	1.7
149.05984	0.7
149.09586	0.7
149.13234	0.6
151.07494	0.8
151.11217	0.9
152.06194	1.7
153.06995	2.0
155.06033	1.1
156.05658	1.6
157.06500	8.9
157.10141	2.6
158.07295	3.0
159.02913	2.0
159.04399	1.1
159.08051	27.4
159.11697	1.7
160.05183	1.4
161.06010	4.3
161.09612	8.8
161.13200	0.8
163.03880	0.7
163.07591	0.7
167.07014	1.3
168.10214	0.7
169.06406	1.4
169.07655	1.6
170.07271	8.2
171.04466	1.2
171.08028	7.4
171.11647	0.7
172.05238	3.7
173.05991	4.7
173.09566	0.8
174.06818	3.1
175.07506	4.1
175.11107	0.7
177.05516	1.1
178.06345	0.8
181.00049	0.6
185.06036	1.5
185.13049	1.7
187.07552	18.6
188.04591	0.9
188.08243	1.8
189.04004	0.9
189.05486	4.6
189.09102	11.1
190.06232	1.7
191.07024	1.1
191.10538	0.9
192.07967	0.6
192.10199	0.6
193.08580	1.2
195.11757	0.7
198.06757	2.5
199.07516	2.8
201.05461	2.3
201.12715	1.7
203.06985	6.7
203.10637	1.1
203.14278	1.7
204.07820	12.0
205.08559	2.0
206.09404	1.2
207.13834	0.7
213.03999	0.7
213.12619	1.7
214.10869	0.7
216.07852	2.6
217.08563	1.4
219.10179	2.4
219.13847	1.4
221.08160	1.1
221.11671	4.0
231.04745	0.9
231.06685	1.5
231.10136	8.3
231.13652	5.4
232.11861	0.8
233.11688	3.2
234.08794	1.2
249.11226	100.0
249.14751	6.5
249.18469	2.1
250.11490	1.5
250.14137	0.7
267.01288	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
53.84494	0.4
55.01863	0.7
55.05497	0.7
60.71651	0.4
63.15861	0.4
67.05486	0.9
68.78427	0.5
69.03412	1.5
69.26856	4.1
69.27264	0.9
79.05491	1.1
81.07030	0.9
88.04865	0.4
88.80735	0.4
91.04956	0.7
91.05483	8.2
93.07054	1.1
95.04926	0.7
97.02923	0.8
98.20660	0.8
98.97565	1.5
103.05441	0.8
105.07014	2.9
107.04928	2.1
107.08537	0.6
115.05460	5.0
116.06258	2.8
116.98634	0.7
117.07020	3.5
118.07796	0.9
119.08629	0.7
121.06480	0.9
128.06229	10.3
129.07005	19.1
130.07756	1.1
131.04926	1.7
131.07571	0.9
131.08568	17.7
132.05737	1.1
133.06494	4.4
133.10109	2.0
135.04410	1.0
141.06996	9.9
142.07780	3.7
143.04901	0.9
143.08559	2.4
144.05708	9.1
145.06488	6.5
146.07265	3.2
147.04390	1.5
147.08073	0.9
152.06224	0.8
153.06990	2.0
155.05983	0.8
156.05724	1.9
157.06493	8.3
158.07275	2.7
159.04462	0.7
159.08058	27.5
160.05211	1.2
161.05968	3.5
161.09601	5.9
163.07475	0.5
167.07051	1.2
169.06410	2.3
169.07652	2.1
170.07271	8.8
171.04404	1.2
171.08041	6.7
172.05199	3.2
173.06018	4.2
174.06725	2.7
175.03751	0.6
175.07547	3.3
178.06213	0.8
184.05125	0.8
185.06004	1.1
186.06804	0.7
187.07542	18.3
188.08287	1.3
189.05498	3.6
189.09103	8.0
190.06195	1.1
191.07001	1.4
193.08640	0.6
198.06766	1.8
199.07526	3.2
201.05467	1.9
202.06175	0.6
203.07036	7.0
204.05852	0.8
204.07809	13.1
204.47522	0.5
205.08592	2.5
206.09480	0.7
216.07835	4.0
217.08586	1.0
218.09407	1.3
219.10190	1.9
221.08058	1.1
221.11760	3.0
231.10167	7.8
234.08858	0.9
249.11224	100.0
250.11475	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03938	0.6
55.01876	0.9
55.05500	0.6
56.96547	1.0
57.03426	0.8
66.08547	0.5
67.05481	1.5
68.06783	0.4
69.03431	3.9
69.07059	0.9
70.00372	2.0
70.23442	0.5
79.05479	1.4
81.03411	1.6
81.07038	0.7
85.02898	3.6
86.09695	0.8
87.00829	1.3
91.05477	7.8
93.07024	1.8
95.04943	1.1
95.08614	1.1
97.02900	3.0
97.06509	0.8
98.21474	0.8
98.97570	1.5
99.04434	1.0
103.05456	1.3
105.01875	0.8
105.07027	3.7
107.04955	2.0
107.08572	1.2
109.02882	0.9
109.10117	0.7
115.05450	5.5
116.06247	3.3
116.98586	0.7
117.07016	2.8
119.04942	0.5
119.08581	1.2
121.06467	0.7
123.04508	0.6
127.03909	1.8
128.06226	10.3
129.07008	21.4
131.04945	2.6
131.08569	18.5
132.05713	1.0
133.06509	2.3
133.10144	2.4
135.04427	1.8
135.08080	0.6
141.06993	10.1
142.07785	4.2
143.04910	1.0
143.08557	3.6
144.05705	9.8
145.06496	7.6
146.03662	0.6
146.07286	4.0
147.04416	1.5
147.08075	0.5
151.07524	0.5
152.06198	1.4
153.06976	1.7
155.04880	0.7
155.06024	1.4
156.05634	2.3
157.06499	10.0
158.07254	2.1
159.04451	0.8
159.08058	26.9
160.05202	1.4
160.08812	0.9
161.05960	3.9
161.09627	8.2
166.91214	0.5
167.07033	1.5
169.06439	2.0
169.07695	2.5
170.07269	7.5
171.04483	1.1
171.08047	7.2
172.05220	2.7
173.05975	5.7
174.06766	3.0
175.07539	3.5
177.00732	0.8
178.06332	0.8
184.05211	1.0
185.05991	1.0
186.06790	0.7
187.07544	19.1
188.08287	1.4
189.05522	4.0
189.09102	9.9
190.06236	1.6
191.02171	0.6
191.06970	1.4
192.07787	0.8
198.06778	1.9
199.07578	3.0
201.05522	2.1
203.07043	6.1
204.07814	12.4
205.08612	2.0
206.09334	1.3
216.07889	3.8
217.05006	0.5
217.08549	1.1
218.09402	1.3
219.10202	2.4
221.08073	1.2
221.11633	3.4
229.07259	1.9
231.10141	6.4
231.13678	0.7
234.08864	0.8
238.07744	0.8
243.88571	0.5
249.11226	100.0
250.11542	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03952	0.4
55.01867	1.0
55.07223	0.4
56.96561	0.5
57.03428	0.9
67.05489	0.7
69.03426	2.7
69.07044	0.7
70.10770	0.7
70.11171	1.4
70.93748	0.4
71.04995	0.7
73.02914	0.6
79.05489	1.8
81.03402	1.4
81.07050	1.0
85.02888	3.1
86.09676	0.8
87.00796	0.6
91.05489	8.4
93.07058	1.0
95.04967	0.7
95.08600	0.8
97.02911	2.3
97.06532	1.9
98.97581	0.5
99.04437	1.1
103.05476	1.3
104.10686	0.5
105.01884	0.5
105.07040	3.5
107.04932	2.9
107.08568	0.6
109.02896	0.8
115.05437	5.9
115.34693	0.5
116.06246	3.4
116.98570	0.5
117.07007	3.5
119.04960	0.7
119.08581	1.2
120.08165	0.5
121.06517	0.5
127.03903	2.0
128.06227	10.7
129.07011	20.3
130.07809	1.1
131.04933	1.9
131.08569	18.4
132.05672	1.2
133.06511	3.5
133.10120	1.4
135.04410	1.7
137.05969	0.9
141.06993	9.5
142.07784	4.0
143.04929	0.9
143.08549	3.7
144.05707	9.5
145.06483	6.1
146.07243	3.7
147.04382	1.7
147.08015	0.7
152.06198	1.1
153.06985	2.1
155.06029	1.2
156.05664	1.7
157.06488	11.1
157.10121	0.6
158.07304	2.6
159.04422	0.8
159.08057	28.6
160.05164	1.8
161.05986	3.9
161.09607	7.5
167.06998	1.1
169.06464	2.0
169.07721	2.1
170.07268	7.6
171.04448	1.5
171.08041	7.3
172.05133	2.7
173.05997	4.3
174.06764	3.3
175.07565	3.3
177.05479	1.2
177.09209	0.5
178.06253	1.0
185.05991	1.4
185.09616	0.5
186.06735	0.9
187.07545	18.0
188.08263	1.4
189.05486	4.4
189.09096	9.7
190.06229	0.9
191.07043	1.6
193.08534	1.0
198.06770	1.5
199.07512	2.7
201.05482	2.0
203.07051	6.0
204.07822	11.9
205.08554	1.7
206.09358	1.0
213.09177	0.6
216.07846	3.5
217.08586	1.0
218.09415	1.4
219.10188	2.0
221.08099	1.2
221.11623	3.1
231.10190	6.5
231.13791	0.6
234.08849	1.0
249.11224	100.0
250.11516	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.4
55.05508	4.4
56.04782	0.9
56.05034	14.5
56.96554	2.1
57.03422	1.3
60.04519	1.0
63.60656	0.6
65.03935	0.7
67.05504	7.8
69.03439	4.7
69.07074	4.8
70.06570	3.0
71.04980	2.3
71.58767	1.0
73.02921	1.0
79.05486	3.2
81.03419	5.1
81.07048	9.4
82.06593	0.7
83.04963	0.7
83.08614	2.4
84.04494	1.2
84.08134	4.3
85.02911	4.2
85.06527	1.6
86.09702	3.0
87.00842	1.9
91.05473	6.3
93.07023	1.6
94.06535	0.9
95.04941	1.9
95.08591	1.5
97.02882	5.4
97.06508	2.5
98.06064	0.9
98.09686	0.9
98.97592	1.9
100.07630	0.7
100.39281	0.7
105.07025	3.0
106.06496	0.9
107.04948	1.5
107.08573	1.8
108.17657	0.8
109.02850	2.1
109.10148	1.6
111.08080	1.7
115.05427	0.7
116.10725	2.6
116.95125	0.7
116.98615	2.2
117.07055	0.9
120.08105	1.0
121.10067	0.8
123.11694	2.2
127.03871	2.5
128.06209	1.0
129.07025	1.4
131.08589	1.4
132.08089	1.5
133.10091	3.2
134.06030	1.9
134.99675	1.6
138.64552	0.7
144.08075	1.9
145.06482	1.5
146.05945	0.7
146.99609	0.8
147.04388	1.4
151.11147	1.2
156.08075	2.7
158.11781	1.4
159.08025	1.3
166.32568	0.7
168.13837	58.0
171.07994	0.8
172.07584	1.6
186.14888	100.0
187.07562	1.5
202.08644	0.8
203.07016	1.0
204.10312	1.3
230.17505	10.1
231.09937	0.8
243.01723	1.5
245.99423	0.7
248.09116	4.3
248.12779	2.5
248.16544	2.8
248.20068	1.0
249.11284	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2056
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03936	2.4
55.01855	2.2
55.05265	2.2
55.05510	24.8
63.02412	1.6
65.07514	1.7
67.05501	16.1
69.07053	5.7
71.04983	2.0
71.60309	2.3
73.02546	1.5
79.05055	2.8
79.05491	39.8
81.07050	15.0
83.04979	2.4
83.08607	4.9
85.06568	1.8
91.05467	8.5
93.07047	23.6
95.04953	4.6
95.08590	8.2
97.06525	1.4
97.10146	7.5
104.99270	5.7
105.07028	11.8
107.04950	41.9
107.08587	16.8
109.10165	9.0
117.06997	3.2
119.08580	4.0
121.06470	2.7
121.10130	12.2
123.11716	2.2
125.09636	2.6
131.08551	5.1
133.10118	5.5
135.11676	6.3
145.10098	5.1
147.11639	1.9
149.09615	100.0
149.13232	2.7
150.09978	1.6
159.11668	4.0
161.13269	2.5
163.11215	3.9
163.14714	2.1
173.13159	2.5
177.12814	2.5
219.21313	1.9
229.19531	6.7
247.06059	2.3
247.09894	1.3
247.16705	3.2
247.20561	92.2
253.69711	1.6
263.72626	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1441
Annotation	Hypaphorine
Peak:m/z	Relative Intensity
53.03941	0.6
55.05495	1.1
56.05027	0.9
56.61707	0.3
56.96547	1.0
57.03416	0.5
57.07069	0.4
58.06578	1.7
66.76945	0.4
67.05489	1.1
68.05009	0.4
69.01165	0.3
69.03418	1.3
69.07054	0.8
70.06570	0.9
71.04973	1.0
71.59267	0.5
72.08147	4.7
73.02913	0.4
79.05495	3.1
80.05013	6.4
81.03416	0.5
81.04514	0.4
81.07026	0.8
81.15718	0.4
82.06580	1.0
83.04965	0.6
83.06071	0.4
84.04469	0.6
84.08134	2.8
85.02872	1.2
85.06531	1.6
86.09680	1.4
91.05479	10.8
93.07020	0.9
95.06092	4.0
95.07356	4.7
95.08577	0.4
97.02881	0.8
98.06001	0.4
99.09188	2.7
100.07615	1.1
103.05450	4.6
105.07030	4.4
106.06560	6.0
107.04935	2.0
107.08570	0.6
109.07635	3.4
110.07201	0.4
110.08417	6.6
111.09211	0.4
115.05424	0.8
116.98566	0.6
117.06989	0.8
120.08101	3.1
121.02874	0.4
121.06513	0.6
128.06236	0.7
129.06984	4.7
130.06502	0.9
131.04938	1.0
131.08556	1.1
132.08035	0.6
133.10143	0.5
134.99660	0.5
135.91132	0.4
140.07034	0.3
141.06976	1.4
142.06531	0.4
143.07275	1.5
143.08452	0.6
144.08089	1.4
145.10104	0.6
146.11813	0.3
154.06476	0.6
155.07262	1.3
156.08084	1.8
157.10193	0.8
158.08392	1.6
159.08052	1.0
159.09279	0.6
167.08493	0.6
168.08099	0.7
168.13829	1.0
169.08838	4.1
172.09926	0.9
172.11197	1.6
174.12802	1.2
177.00702	0.4
184.11209	50.9
185.11549	1.1
186.09244	0.4
186.13014	0.3
186.14851	2.1
187.07434	0.8
194.97357	0.6
201.00763	0.4
201.13869	23.6
202.12360	0.5
202.14160	0.5
208.03688	0.4
209.04462	1.0
212.98383	0.5
215.06985	0.6
229.04924	0.8
247.14418	100.0
248.09024	0.5
248.14735	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1287
Annotation	H-GLU-VAL-OH
Peak:m/z	Relative Intensity
50.93443	2.2
55.05499	6.8
56.05023	5.3
57.07053	4.2
60.73484	2.0
66.79725	2.5
67.05502	2.4
67.16683	2.0
68.05013	3.5
71.04983	6.5
71.32232	3.8
72.04524	4.0
74.02443	15.2
83.04978	9.8
84.04498	94.0
84.08129	8.1
85.02937	2.1
85.06541	100.0
86.09686	5.1
88.03986	3.9
95.06091	5.0
95.83861	2.5
96.04485	10.1
99.05564	12.2
100.03976	4.0
100.07607	33.0
102.09184	10.7
117.06676	2.0
118.05010	6.4
118.08651	72.8
130.05006	20.1
141.06590	6.7
142.04993	27.9
145.06087	2.8
146.04485	25.5
163.07155	30.3
166.08647	8.3
183.11337	3.0
184.09663	31.4
201.12361	2.3
211.10757	5.1
212.09152	13.5
229.11830	8.4
230.10233	26.8
247.12897	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1287
Annotation	beta-Asp-Ile
Peak:m/z	Relative Intensity
55.14292	0.3
56.05041	0.6
57.07078	2.4
62.92860	0.3
67.05502	1.7
69.05807	0.4
70.79266	1.1
72.04504	1.1
74.02437	7.4
81.55074	0.3
84.08138	100.0
86.09707	2.4
88.03985	1.3
91.77639	0.3
95.39602	0.3
98.97631	0.3
100.03976	1.1
107.39218	0.3
118.05014	1.6
118.31727	0.4
128.03430	0.3
132.10199	1.5
134.31046	0.3
140.63919	0.3
141.10228	0.9
146.04449	2.1
166.94347	0.3
183.11230	0.5
186.62184	0.3
187.10825	0.4
194.55209	0.3
201.12361	1.2
205.00368	0.3
211.10806	0.6
212.09085	1.6
234.93001	0.4
247.13046	0.6
247.81189	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1282
Annotation	H-Leu-Asp-OH
Peak:m/z	Relative Intensity
54.03472	1.5
55.01863	2.0
55.05511	2.4
56.05019	1.2
57.07069	3.6
58.06597	2.1
60.04530	6.2
67.05487	3.3
69.07065	18.2
70.02960	6.8
70.06592	2.2
71.01330	1.8
71.59452	1.7
72.04505	3.2
72.08147	2.6
73.02920	2.2
74.02436	33.1
75.80288	1.1
79.82185	0.9
82.02924	8.3
82.06583	1.9
83.03724	1.1
83.04974	1.9
83.07320	1.1
84.04491	3.0
84.08138	36.0
85.02902	1.1
85.06535	18.1
86.09698	100.0
88.03954	1.6
89.02405	1.1
96.04500	3.6
96.08131	7.1
98.02418	15.6
99.00820	2.3
99.05570	9.7
100.03977	4.3
101.02380	2.0
102.09163	23.1
112.07586	1.9
114.27646	1.1
115.05023	2.1
116.03458	8.4
118.05016	4.6
120.08099	4.7
122.06032	1.0
124.07575	3.9
128.03371	1.3
128.91356	1.0
134.04485	3.5
137.05977	3.0
138.09145	4.1
139.53053	1.1
144.02975	1.3
145.06102	2.7
146.04474	9.4
146.12120	1.0
148.07613	1.7
156.10181	1.7
162.03972	5.1
163.07124	1.3
165.10226	3.0
166.08626	41.8
183.11282	25.7
184.09659	8.4
201.12347	7.2
211.10823	2.1
212.09172	7.5
215.03024	1.2
217.11824	1.2
229.11836	14.1
230.10223	39.2
247.12872	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	247.1287
Annotation	H-Val-Glu-OH
Peak:m/z	Relative Intensity
54.03454	0.6
55.01872	0.5
56.05037	0.6
57.07077	2.8
65.03950	0.6
67.04245	0.4
67.05509	2.9
69.05819	0.3
70.06583	0.3
70.22286	1.0
72.04522	2.3
72.08150	2.1
74.02440	10.0
75.89938	0.3
80.44939	0.3
82.02934	1.8
82.06570	2.5
84.04511	1.7
84.08141	100.0
85.02898	0.5
85.06532	0.7
85.08465	0.4
93.07030	0.3
94.06609	0.3
96.08153	0.3
97.13496	0.3
100.03973	2.3
100.07614	2.4
100.51246	0.3
102.09179	8.2
102.43021	0.3
108.08127	2.1
110.06042	0.6
110.09664	0.3
118.04996	2.4
134.81071	0.3
136.07611	0.8
137.10715	0.3
138.09163	0.4
146.04501	1.6
153.10236	0.4
165.10204	0.4
166.08627	0.4
183.11348	0.9
184.09750	0.5
211.10770	0.6
212.09311	0.7
214.00957	0.3
229.11859	0.5
230.10216	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	247.0965
Annotation	(R)-(+)-7-Hydroxy-8-(2-hydroxy-3-methyl-3-butenyl)-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
53.03943	0.7
55.01875	0.9
55.05512	1.0
56.96566	1.3
57.03440	1.1
57.07074	1.9
58.99586	0.6
65.03941	1.4
65.83498	0.4
67.05505	2.3
68.99786	1.2
69.03430	0.6
69.07066	1.9
70.06597	0.7
71.59759	0.6
72.08146	1.0
79.05501	2.9
81.03388	0.5
81.07056	1.7
84.04530	0.6
84.08131	4.0
85.06542	0.6
85.08482	1.4
85.08938	0.8
86.09705	0.8
89.03912	3.6
91.05482	6.0
93.07047	1.9
95.04971	2.2
95.08609	1.1
97.02891	1.3
97.06526	0.5
98.97590	0.9
103.05487	0.7
105.03402	0.8
105.04533	0.6
105.07008	2.4
107.04941	3.1
107.08617	1.2
108.04477	0.9
109.06545	0.8
109.10170	0.6
115.05465	0.7
116.98621	0.5
117.03416	2.4
117.06999	1.0
119.08560	1.6
121.06551	0.8
121.10143	0.8
123.04417	1.1
129.03412	0.6
129.07005	1.5
130.04993	1.5
131.04933	1.4
131.08568	1.8
133.02832	2.8
133.06500	0.6
133.10146	1.0
135.04405	1.5
136.04709	1.2
141.07031	1.0
141.60258	0.5
143.08493	0.8
144.08395	0.7
145.02832	3.4
145.06461	1.0
145.10098	1.5
146.03229	0.9
147.04433	0.8
147.08113	0.7
147.11665	0.7
149.05951	0.6
149.09599	0.6
155.74051	0.5
159.04482	1.3
159.08063	2.1
159.11705	1.0
159.39774	0.5
160.04927	0.6
161.02336	1.2
163.03909	6.1
164.04259	2.6
169.06526	0.6
169.92250	0.5
173.05975	0.9
173.09576	0.8
173.13322	0.8
177.05528	1.9
179.03403	3.5
183.07982	0.9
187.07553	1.1
187.11296	0.6
187.14844	0.8
191.03386	100.0
192.03699	1.1
201.09119	1.0
201.12691	0.7
205.04956	42.2
211.07574	0.9
217.04970	6.7
218.05701	5.2
218.07523	0.7
219.06462	1.5
229.02933	0.6
229.08543	1.7
229.15814	0.8
230.08463	0.7
247.09639	68.3
247.16879	2.2
248.09831	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0965
Annotation	(R)-(+)-7-Hydroxy-8-(2-hydroxy-3-methyl-3-butenyl)-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
51.76625	0.4
53.03934	0.8
53.63753	0.4
55.01870	0.9
55.05505	0.6
56.96552	0.9
57.03425	1.1
57.07080	1.3
57.55175	0.4
62.91529	0.4
65.03936	1.3
67.05509	2.6
67.05811	0.6
68.99778	0.7
69.07063	1.2
69.80312	2.7
70.06580	3.7
71.06927	0.9
79.05493	3.2
81.07059	1.0
82.28851	0.5
82.30791	0.4
84.08141	6.0
85.06535	1.9
85.08481	2.8
85.08868	2.6
86.09251	1.4
86.93449	0.5
87.08118	0.6
89.03895	5.0
90.28325	0.5
91.05471	5.6
93.07052	0.9
95.04951	1.6
95.08589	0.7
97.02899	0.7
98.20797	0.9
103.05436	0.8
105.03418	0.5
105.07014	1.5
107.04942	3.6
107.08523	0.7
108.23946	0.5
115.05460	0.9
116.98576	0.6
117.03399	3.5
117.06995	1.0
119.08577	0.5
121.02880	0.7
121.06530	0.5
123.04414	0.9
128.06216	0.6
129.07033	0.7
131.04977	0.9
131.08540	1.2
133.02786	3.1
133.06477	0.6
135.04387	4.7
136.04779	0.9
141.06972	0.8
145.02829	4.7
145.06448	1.5
146.03177	0.6
147.04430	0.8
149.05884	0.6
151.03891	1.0
151.07568	0.6
153.06996	0.5
155.08533	0.7
158.07352	0.5
159.04417	1.5
159.08057	1.7
161.02330	2.8
163.03900	10.7
164.04160	2.3
169.06354	0.6
173.02435	0.8
173.05925	1.3
173.09671	0.8
175.03928	0.8
177.05463	1.5
177.85487	0.6
179.03374	4.2
183.08067	1.6
187.07545	3.8
191.03383	100.0
192.03709	1.1
200.04628	1.2
201.00714	0.5
201.09177	1.2
203.10587	0.9
205.04953	41.0
206.05090	0.6
211.07643	2.6
211.09351	0.8
214.06218	5.1
215.06944	0.9
217.04965	7.3
218.05768	4.2
219.06451	0.8
229.08578	7.1
229.10518	1.4
230.08945	0.9
247.09636	72.0
248.09920	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0965
Annotation	(R)-(+)-7-Hydroxy-8-(2-hydroxy-3-methyl-3-butenyl)-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
52.35313	0.4
53.00322	0.3
53.03926	0.8
55.01859	0.7
55.05511	0.5
56.96572	0.5
57.03443	0.6
57.07079	2.0
63.02376	0.3
67.05508	1.7
68.99784	0.6
69.03417	0.7
69.07064	0.6
70.06576	0.7
71.06927	0.3
71.20524	0.9
72.08176	0.4
79.05482	2.9
81.03421	0.5
81.07059	1.2
83.04978	0.4
84.08141	2.4
84.95781	0.3
85.06542	2.6
85.08451	0.5
85.08907	0.5
86.09740	0.5
89.03909	12.8
91.05482	2.2
91.82880	0.3
93.07051	1.1
95.04968	1.2
95.08587	1.0
97.02898	0.7
98.97552	0.9
103.05445	0.6
105.03419	0.3
105.07021	1.2
107.04947	4.0
107.08584	1.0
109.10152	0.4
115.05438	0.6
116.98596	0.5
117.03371	14.8
117.07018	0.7
117.67914	0.3
119.08563	1.1
121.02859	0.4
121.06508	0.5
121.10153	0.4
125.02340	0.3
128.06216	0.4
129.07005	1.0
131.04886	0.6
131.08556	1.3
133.02823	0.9
133.06500	0.4
133.10106	0.7
134.03612	1.4
135.04407	25.9
136.04704	0.5
137.09532	0.3
141.06947	0.4
143.08600	0.4
144.05704	0.8
145.02837	15.5
145.03978	0.8
145.06464	1.0
145.10126	0.9
147.08041	0.7
147.11633	0.5
149.05998	0.4
155.08533	0.5
158.06076	0.3
159.04401	0.4
159.08083	1.2
159.11693	0.4
160.05127	0.4
161.02325	0.8
161.09628	0.3
162.03072	0.4
163.03893	100.0
164.04268	1.5
164.05399	0.3
173.02361	0.7
173.06004	0.6
173.09642	0.6
175.07472	0.4
177.05472	0.5
179.03316	0.8
183.08119	0.5
187.07654	1.6
187.11127	0.4
187.14825	0.7
191.03387	28.7
192.03780	0.4
200.04575	0.4
201.00690	0.5
201.09171	0.5
204.18701	0.4
205.04941	11.9
211.07430	0.6
211.14796	0.4
214.06200	1.3
217.04927	1.8
217.08521	0.4
218.05772	1.1
219.06410	0.5
219.08229	0.4
219.10107	0.5
229.08549	2.5
229.16002	0.5
247.09644	33.2
247.16937	1.7
248.09998	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26176	1.0
66.23943	0.9
69.34834	2.4
69.35247	6.9
69.68519	0.9
70.06509	0.8
72.08144	4.5
84.04504	4.9
84.08125	1.7
86.09710	6.5
88.03964	2.8
93.89750	0.9
100.07582	2.0
107.01357	0.9
118.08620	2.2
119.01921	3.3
130.04991	1.1
132.10179	2.4
141.10185	1.2
142.05003	1.0
166.08685	1.3
167.03178	1.7
174.58487	1.0
187.10741	1.2
201.12338	2.9
203.70029	1.2
212.09158	1.5
216.06964	1.0
219.05022	1.0
220.97093	0.9
222.11517	0.9
229.03178	31.2
229.05386	2.1
247.04240	100.0
248.63586	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0964
Annotation	(R)-(+)-7-Hydroxy-8-(2-hydroxy-3-methyl-3-butenyl)-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
55.01876	1.1
55.05510	0.9
56.96564	1.1
57.03430	0.9
57.07073	1.8
58.99572	0.9
61.63893	0.4
65.03931	0.5
67.05507	2.1
67.60648	0.5
68.99789	0.9
69.03432	0.5
69.07056	1.0
70.06567	0.8
71.59880	0.6
72.08163	0.9
74.00671	0.7
79.05475	2.7
81.07057	1.1
83.04987	0.7
84.08137	5.8
85.08457	1.6
85.08915	0.7
86.09733	1.0
89.03911	3.5
91.05474	5.1
93.07038	1.6
95.04982	1.7
95.08592	1.0
97.02887	1.1
100.31622	0.6
103.05473	1.0
105.03382	0.7
105.07017	2.7
105.13348	0.5
107.04953	2.9
107.08599	0.8
108.04493	1.0
109.02882	0.9
115.05457	0.8
116.98627	0.5
117.03372	2.3
117.07043	1.5
118.03706	0.5
119.08571	1.6
120.08121	0.9
121.06528	0.8
123.04408	0.7
129.07019	1.0
130.05013	1.1
131.04918	1.2
131.08554	1.8
133.02852	3.4
133.10161	0.8
135.04410	2.4
137.09560	0.5
141.06934	0.7
144.08372	1.0
145.02841	4.3
145.06509	1.5
145.10114	0.9
147.04428	0.9
147.11604	0.5
151.03905	0.8
155.08594	1.1
159.04385	1.0
159.08090	0.9
159.11674	1.3
161.02315	1.0
162.02155	0.6
163.03891	6.5
164.04211	2.7
173.02344	0.9
173.06013	1.5
173.09547	0.6
173.13289	0.7
175.03711	0.5
177.05470	1.8
179.03363	3.4
183.08104	1.0
187.07501	1.8
187.14819	1.0
190.07745	0.7
191.03384	100.0
192.03729	1.5
194.34589	0.5
196.64230	0.5
201.00670	0.7
201.09065	1.5
203.10709	0.5
205.04955	43.4
206.05240	0.8
211.07545	1.3
214.06207	1.0
217.04967	7.4
218.05760	4.6
219.06502	1.6
229.08614	2.0
229.12340	0.5
229.15849	0.7
247.09636	74.3
247.16901	2.3
248.09991	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1446
Annotation	H-Ile-Asn-OH
Peak:m/z	Relative Intensity
51.88084	1.6
55.01869	2.9
55.04320	1.6
55.05497	4.6
56.96535	3.3
57.07059	2.8
58.42071	1.6
61.90173	1.6
69.03401	2.8
69.07063	56.9
70.02946	18.7
70.06567	5.0
72.04514	3.2
72.08141	2.9
73.02911	4.2
73.04037	2.4
73.06570	4.6
74.02452	11.6
74.56787	1.6
80.01363	1.9
81.03426	3.5
82.02935	4.7
82.06572	12.0
83.04967	3.8
83.06896	7.3
84.04501	14.1
84.08134	28.8
85.04015	20.3
85.06528	23.4
86.09698	85.2
86.10223	4.5
87.05582	81.6
88.03968	7.0
91.05445	2.4
93.05746	2.3
94.06587	2.7
95.06911	2.9
96.08121	5.4
98.02399	25.8
98.97551	2.3
99.05554	3.7
100.03960	4.4
100.07603	6.1
101.07934	2.1
102.09170	5.4
110.02392	81.5
112.07602	2.2
113.10757	59.6
115.04964	2.4
118.08656	2.5
120.08092	3.9
124.03921	14.9
128.03412	2.1
129.10275	2.8
130.04991	2.7
130.08813	2.0
132.10191	23.3
138.09163	8.8
141.10211	100.0
142.04901	3.2
143.11769	15.0
146.04492	5.5
155.11816	11.0
163.03853	3.3
166.08624	98.1
169.09705	6.5
171.11223	3.5
182.11719	2.0
183.11284	15.0
184.09636	4.0
187.10765	62.1
200.12015	3.3
200.13934	25.2
201.12303	4.2
202.10725	3.6
209.98256	1.8
211.10730	9.2
212.09160	97.4
228.13527	3.9
229.11812	44.5
230.10185	5.2
246.07927	5.6
246.13670	3.8
246.99002	2.2
247.12857	2.7
268.88309	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.9
56.05028	2.8
56.96566	3.9
57.03410	1.3
57.07075	4.5
62.29512	0.7
65.03941	2.3
67.05500	12.3
69.03419	1.4
69.07053	0.8
70.06588	58.7
70.85052	1.8
71.04985	5.9
72.08143	1.2
73.02921	0.9
74.88897	0.6
79.05486	1.4
81.03417	1.0
82.06577	1.9
83.04948	2.9
83.05730	0.7
83.06884	0.8
84.04514	0.6
84.08138	100.0
85.02898	6.5
85.06556	3.3
85.08543	1.8
85.08919	49.3
87.04488	0.7
89.03905	8.1
91.05461	1.4
95.04973	0.9
98.97578	5.5
99.04472	0.8
107.04942	2.4
111.04400	0.9
116.98605	3.9
117.03371	11.7
128.98621	1.6
129.05472	1.2
131.00159	1.1
134.06032	1.1
134.99640	1.8
135.04411	14.9
143.00114	0.8
144.04498	1.5
145.02841	13.9
145.06517	0.8
146.99660	1.7
149.01266	0.6
155.08591	1.1
156.04445	2.3
158.99704	1.1
159.04532	0.9
159.07977	0.8
161.01241	1.5
161.02380	0.9
161.04698	1.4
162.05502	13.1
163.03896	46.6
165.07033	1.4
172.03960	1.8
173.02339	3.0
173.06023	1.0
174.05450	0.8
177.00790	1.9
182.09659	1.1
183.04065	0.7
183.08090	2.8
184.07574	1.0
185.08289	1.1
186.05472	1.2
186.09084	0.7
187.03998	1.2
187.07585	1.1
191.03419	7.2
199.06311	2.7
200.04591	1.1
200.07053	0.8
200.10733	1.8
201.09129	0.7
203.02258	0.7
205.05008	3.4
210.09119	5.6
211.07561	1.9
213.07883	1.0
214.06267	2.6
220.64432	0.6
225.08792	1.5
228.10178	26.2
229.08575	8.9
234.09416	2.3
234.59615	0.7
237.02847	3.1
246.11243	19.3
246.15298	0.9
246.24440	0.8
247.09534	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	246.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88697	0.5
54.03474	1.1
55.01859	0.9
56.05038	2.3
56.96586	0.8
64.11585	0.6
70.01444	1.5
70.06599	1.6
70.60370	1.8
72.47631	0.5
82.02946	4.5
82.99860	1.5
84.08151	0.9
88.02502	1.9
98.97582	0.7
100.03970	4.4
100.07626	1.2
101.00877	5.5
103.02441	1.4
106.03526	0.6
112.02478	2.5
113.00912	1.0
114.04046	4.3
115.02435	1.8
117.10254	0.9
119.01924	30.8
121.03465	0.7
130.03508	13.4
131.01910	13.6
132.05037	3.2
133.03482	1.6
137.02968	9.3
138.03987	6.3
142.03499	6.9
144.05055	0.7
148.04532	3.2
149.02950	7.0
156.01460	4.5
156.05055	20.2
157.03473	7.3
158.02998	4.5
158.09229	0.7
160.04532	3.6
160.49635	0.5
164.01987	0.9
168.01410	2.7
172.04512	2.9
173.48981	1.8
174.02504	16.4
174.03972	1.3
174.06076	3.4
175.00923	1.5
175.04504	4.1
175.11902	1.4
176.04089	5.1
177.49184	0.9
182.02977	41.8
183.01414	1.7
183.03117	1.0
185.79329	0.5
186.00899	0.7
186.02461	11.0
186.04056	1.0
186.49730	1.1
186.99861	1.0
187.02625	0.6
187.49722	0.8
193.01950	2.1
196.00256	1.4
200.04042	100.0
200.49507	1.4
200.99522	0.8
201.02457	13.4
201.04173	1.8
201.97572	0.6
205.98764	0.9
209.01170	1.5
209.50034	0.9
218.00284	1.0
218.05098	14.7
219.03525	2.0
223.00877	0.7
223.05634	0.9
227.99852	0.6
228.03542	4.6
228.48962	1.7
228.99088	1.2
229.03905	0.7
231.99965	1.8
232.01805	1.0
232.50064	1.4
237.49487	1.4
241.00410	5.3
241.06882	1.0
241.50452	1.4
246.04590	42.5
246.15599	2.8
246.18060	1.3
247.04791	1.3
255.00417	0.6
263.54294	0.6
264.02994	2.9
264.05679	1.9
269.06259	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.186
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
54.03465	0.5
55.01879	1.6
55.05501	1.3
56.05025	0.9
56.96566	1.9
57.03447	0.3
57.07059	0.3
58.06577	0.4
61.02900	0.3
65.03934	0.4
67.04239	2.3
67.05495	0.9
68.05013	0.3
69.03434	0.9
69.07066	10.7
70.06590	2.6
70.30824	1.0
71.24081	0.3
72.04495	0.8
72.08157	0.4
74.02436	2.9
79.05489	0.5
80.05026	1.0
81.03416	0.9
81.07050	0.4
82.02934	1.4
82.06577	15.6
83.01280	0.4
83.03728	0.4
83.04962	1.3
83.26900	0.2
84.04501	1.4
84.08137	1.8
84.96026	0.3
85.02905	0.7
85.06554	0.3
86.09704	100.0
87.10036	0.6
91.05494	0.9
93.05740	0.4
93.07040	0.5
97.02882	0.4
98.97583	2.0
99.05579	0.9
100.03981	0.5
100.07612	3.3
106.06576	0.3
108.08141	0.4
110.07165	0.3
111.04428	0.3
116.98631	2.4
118.05009	0.7
118.75800	0.2
120.08102	0.5
122.19612	0.3
123.04497	0.4
124.07574	0.3
127.04037	0.3
128.06197	0.3
128.98611	0.3
129.10228	0.7
130.04979	0.5
131.08574	0.2
132.10199	2.0
134.90068	0.3
134.99680	2.1
135.04395	0.3
137.06018	1.6
137.53452	0.2
143.00166	0.3
144.08101	0.6
145.02834	0.4
145.06378	0.3
146.04512	1.7
146.06010	3.4
146.99643	0.3
149.01237	0.9
150.12787	0.4
158.06027	0.5
158.99611	0.3
161.01205	0.7
161.04585	0.3
161.05943	0.3
161.10754	0.8
162.04120	0.7
162.05540	0.9
162.11522	1.6
163.03911	0.6
163.07161	0.4
168.06592	0.4
172.07631	0.4
172.60193	0.3
177.00752	1.1
177.05516	0.3
185.01311	0.3
191.02371	0.4
199.07515	0.3
199.18010	1.6
200.07135	0.6
203.60187	1.6
204.10423	0.3
209.09454	0.3
212.60847	0.5
213.03023	0.3
217.05009	0.3
217.08554	0.3
218.05580	0.5
224.06230	0.3
227.07077	0.6
227.09834	0.3
242.03398	0.5
244.57567	2.0
245.04688	1.1
245.07782	1.7
245.13066	2.9
245.15266	0.4
245.16132	0.4
245.18613	3.3
246.05095	0.7
246.07817	0.6
246.13301	0.3
260.04547	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1859
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
50.29379	0.2
55.05495	0.3
56.05008	0.4
56.96560	0.7
57.03428	0.3
57.05809	0.4
67.04237	1.0
67.05498	0.4
69.07063	11.2
69.81843	1.7
70.06586	0.7
72.08147	0.4
74.02431	1.0
81.03423	0.5
82.06577	5.5
82.07056	0.4
83.04981	0.4
84.04488	0.6
84.08131	0.6
86.09699	100.0
87.10035	0.7
97.02932	0.4
98.20811	0.4
98.97570	0.9
99.05553	0.4
100.07619	1.6
116.98623	0.6
132.10194	1.5
134.99690	0.7
142.03181	0.3
158.99730	0.3
163.03905	0.6
177.00757	0.4
177.05487	0.5
199.18126	0.5
226.12144	0.3
234.59355	0.3
245.08153	1.0
245.18504	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	245.1862
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
54.03450	0.4
55.01863	0.3
55.05506	1.1
56.05018	0.2
56.96560	0.9
57.03423	0.2
65.03938	0.5
67.04248	2.3
67.05495	0.3
69.03429	0.4
69.07055	0.6
70.06588	0.8
71.19996	0.5
72.04516	0.4
72.08130	0.2
74.02463	1.7
79.05499	0.4
80.05010	0.7
81.03413	0.4
82.06576	15.7
83.04980	0.5
84.04504	0.4
84.08147	1.2
86.09702	100.0
87.10036	0.7
90.16324	0.2
91.05473	0.8
93.07021	0.4
96.08151	0.2
97.02877	0.5
98.97591	0.8
100.03961	0.4
100.07615	2.5
116.98602	0.6
117.03388	0.3
118.04996	0.5
119.01869	0.3
128.06329	0.2
129.10197	0.3
131.00154	0.3
132.10184	3.9
134.99582	0.4
135.04469	0.3
142.03233	1.0
147.04410	0.3
148.74931	0.2
157.06522	0.3
159.04446	0.3
163.03856	0.4
170.02698	0.3
176.04131	0.3
177.02177	0.2
187.03978	0.3
199.18027	1.4
215.07141	0.4
227.07092	0.5
240.53659	0.3
245.04474	0.4
245.08051	1.7
245.11966	0.3
245.18604	3.6
246.07761	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.113
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03461	2.0
55.05511	3.4
56.24195	0.5
65.03942	2.7
65.42110	0.4
67.04245	13.1
69.03447	0.8
69.35876	4.9
69.36221	0.9
70.06584	0.5
72.04513	2.3
74.02441	10.8
80.05013	4.7
81.03374	0.5
82.02943	1.1
82.06576	100.0
83.04969	0.7
83.06888	0.5
84.04485	3.7
93.05779	1.5
98.21468	0.9
100.03967	1.8
100.07614	19.4
118.05026	2.1
118.06577	0.7
119.01901	0.6
122.22021	0.5
123.74332	0.5
130.05006	5.0
135.06848	0.6
136.07588	0.6
146.04472	1.8
147.07669	1.7
163.08618	0.4
174.02495	0.8
188.97073	0.6
209.09056	0.5
224.89839	0.6
228.08527	0.6
245.11324	1.5
253.47134	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
54.03468	1.3
55.05510	2.9
58.77888	0.3
62.45833	0.3
63.59348	0.3
65.03938	2.4
67.04246	15.2
68.05016	0.3
70.06586	0.6
70.98635	0.4
70.98975	0.5
72.04523	2.4
74.02023	0.6
74.02440	12.5
80.05019	4.8
81.03401	0.4
81.05776	0.3
82.02945	1.3
82.06578	100.0
83.04986	0.6
83.06898	0.5
84.04501	4.2
91.05460	0.5
92.05025	0.3
93.05769	1.7
94.06575	0.3
100.03975	2.0
100.07619	19.2
101.07117	0.3
106.06570	0.6
110.06062	0.4
116.07099	0.4
118.05022	2.4
118.06548	1.1
130.05000	3.2
136.07599	0.9
146.04517	1.3
146.06041	0.9
147.07677	0.9
163.08673	0.4
164.07076	0.7
168.70039	0.3
174.02455	0.7
181.09669	0.4
182.08116	0.7
197.97200	0.3
209.09348	0.3
210.07542	0.3
228.08733	0.4
230.84180	0.3
245.06425	0.3
245.11388	0.3
269.12750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84768	8.5
71.32005	22.2
72.04511	14.6
74.02444	68.9
82.06557	12.4
83.04975	43.7
88.24569	8.9
99.05566	58.9
100.03983	23.8
100.07627	21.9
118.05003	27.5
134.80441	10.1
140.30200	13.5
145.06064	10.1
146.04480	100.0
153.33392	12.0
163.07152	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	245.0809
Annotation	Suberenone
Peak:m/z	Relative Intensity
55.05515	0.8
56.96557	1.1
67.05499	0.7
69.03445	0.6
70.16995	1.1
79.05493	0.7
81.07050	0.8
82.06586	1.5
83.08638	0.4
86.17467	0.4
91.05483	1.3
93.07041	1.0
95.04978	0.5
97.10155	0.6
98.20821	0.7
98.97608	1.3
103.05472	0.8
105.07043	1.5
108.53249	0.5
115.05446	2.6
116.98632	2.0
117.07037	1.2
119.01906	0.5
119.08564	0.8
125.09666	0.7
127.05405	0.6
128.05249	0.9
128.06218	16.9
129.07007	1.9
131.04924	1.8
133.06508	0.6
133.10123	0.6
134.99672	2.1
135.11674	0.5
135.30368	0.5
141.07016	1.9
142.07889	0.5
143.04889	0.8
143.08551	7.1
145.06477	2.8
145.10106	0.9
149.01248	0.6
152.06171	0.8
153.06998	1.8
155.04901	1.4
155.06038	1.0
156.05690	6.3
157.06532	1.6
157.10081	0.6
159.04417	0.8
163.07417	0.5
169.06522	0.9
171.08023	6.5
171.11742	0.6
173.05962	4.5
177.00723	0.6
181.06473	1.1
183.04404	1.6
184.05200	20.4
185.05951	2.9
187.14804	0.5
188.04694	1.3
199.07530	14.2
201.05351	0.6
202.06277	0.4
203.07027	0.7
211.03886	1.4
212.04672	14.3
213.05293	0.5
215.03363	8.3
215.06731	0.5
217.08553	1.0
227.07016	59.1
229.04875	0.7
230.05730	3.0
233.04335	0.7
245.08073	100.0
246.08485	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0809
Annotation	(-)-2,3-Dihydro-6-methoxy-2-methyl-naphtho[1,2-b]furan-4,5-dione
Peak:m/z	Relative Intensity
50.14632	1.1
50.70787	1.2
52.09133	1.4
53.03930	3.6
55.01855	3.8
55.05508	18.5
56.05003	1.4
56.96568	7.3
57.03446	7.2
57.07071	2.3
59.04995	2.4
65.03920	4.9
67.04253	12.0
67.05491	5.1
69.03417	5.3
69.07066	12.4
70.06597	9.1
70.84343	4.1
71.04980	3.3
72.04502	1.6
72.08154	4.9
74.02432	9.4
74.06068	1.6
77.03908	1.9
79.05471	4.0
80.05020	7.7
80.80625	1.3
81.03403	3.0
81.07077	2.4
82.02930	1.6
82.06577	82.2
83.04984	9.8
84.04484	4.6
84.05758	2.1
84.08143	11.1
85.02904	4.1
85.06542	17.4
86.09704	100.0
88.03961	2.1
89.03917	20.5
91.05482	45.4
92.05805	2.4
93.05811	2.0
93.07034	1.5
95.04950	4.0
95.08583	1.6
96.04489	1.4
97.02898	1.5
97.06516	1.5
98.97585	10.8
99.04475	2.2
100.07594	15.1
103.05457	5.4
105.03387	7.9
105.05488	4.2
105.07028	3.8
107.04927	4.0
107.08556	1.7
110.07146	2.0
114.03729	2.3
115.05457	3.8
116.98608	11.2
117.03390	17.0
117.07024	2.2
119.04927	9.8
119.08549	2.2
120.04284	1.4
123.04415	1.5
124.00951	1.4
126.65540	1.2
126.90454	1.3
128.06209	6.0
128.98613	2.3
129.06999	3.5
129.10222	1.9
130.05028	2.1
130.06454	1.8
131.04956	7.5
131.08577	2.0
132.10199	3.1
133.02853	20.9
134.03629	2.5
134.08794	1.4
134.99652	8.4
135.04416	31.5
136.04782	1.4
137.33556	1.3
141.06960	4.6
141.83946	1.3
142.03227	15.6
143.04907	3.4
143.08588	3.2
145.02826	10.8
145.06516	4.2
146.03522	2.1
146.04553	2.9
146.99670	2.8
147.04413	12.9
147.08032	1.7
149.01231	2.0
153.00612	1.4
153.06967	3.2
157.06470	2.9
158.99649	6.2
159.04443	10.9
159.08052	3.7
161.01208	1.6
161.02338	29.3
161.05916	3.9
162.03102	2.3
163.03903	48.5
169.06450	3.5
169.31441	1.2
170.02679	4.0
171.04500	1.7
171.08054	4.5
173.00926	2.6
173.02339	37.8
173.05963	1.9
175.03914	6.3
175.07565	1.8
177.00710	9.2
177.05443	3.6
181.06377	2.7
184.05164	1.9
185.05984	4.6
187.03920	13.8
187.07489	5.1
189.05476	6.0
192.42078	1.4
197.06004	4.0
199.07547	3.9
201.05450	32.5
203.03426	4.5
203.06987	1.9
214.06342	1.6
215.07039	28.0
217.08659	3.9
219.01813	7.0
227.07033	10.8
236.09975	2.4
237.02736	1.5
241.04070	1.5
245.04465	3.8
245.08095	84.9
245.13380	2.7
245.18730	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	243.1378
Annotation	4,4'-(2-Methylpropylidene)bisphenol
Peak:m/z	Relative Intensity
53.03931	2.0
53.08535	0.8
55.01870	6.3
55.05514	6.5
56.96548	1.6
57.03410	2.9
65.03916	1.4
66.76978	0.9
67.05501	9.6
69.03424	4.5
69.07047	2.5
69.40234	8.2
70.06576	3.6
71.04984	2.4
79.05485	9.2
80.05021	1.3
81.02975	1.2
81.03411	14.9
81.07052	17.3
83.04980	5.7
84.04483	1.0
85.02890	2.1
85.06525	3.2
91.05476	23.0
92.05817	5.0
93.07030	13.9
94.06544	1.3
95.04956	7.8
95.08600	5.5
97.02885	2.2
97.06533	1.8
98.97556	1.1
99.04438	0.9
102.09134	0.9
103.05441	2.0
105.07024	22.5
107.04945	6.8
107.08591	9.8
109.02845	2.2
109.06513	4.9
109.10101	1.2
111.04423	3.6
115.05425	2.8
116.98627	0.9
117.06977	7.0
119.04945	3.8
119.08568	11.9
121.06516	7.5
121.10094	2.6
123.04416	4.4
123.08064	2.8
123.11678	1.3
128.06245	5.8
129.06987	10.1
130.07782	1.0
131.04926	1.8
131.08572	14.0
133.06471	5.7
133.10126	10.3
134.99643	1.6
135.04395	2.9
135.08058	3.6
137.05974	2.6
141.07004	7.3
142.07771	8.1
143.08554	13.1
144.05722	1.7
144.09312	1.3
145.06474	8.9
145.10114	14.4
147.04338	1.0
147.08063	4.6
147.11650	3.3
149.01311	1.2
149.05954	3.9
149.09566	1.3
152.06029	1.2
153.06978	4.0
154.07756	3.6
155.08554	13.9
156.09311	4.0
157.06499	3.1
157.10132	9.6
158.07278	1.5
159.08052	11.0
159.11685	5.7
161.05972	2.4
161.09615	4.4
163.07498	2.8
165.07007	1.5
167.08540	7.1
168.09303	3.3
169.06441	2.8
169.10104	13.6
170.07280	1.3
171.08031	3.8
171.11693	5.0
173.05936	2.2
173.09639	7.5
173.13252	3.9
173.64470	1.0
175.07558	2.0
175.11137	1.5
177.00684	1.5
181.10107	3.8
182.07288	1.5
182.10818	6.1
183.08057	6.0
183.11732	5.5
184.08836	1.7
185.09604	12.9
185.13228	1.4
186.10365	1.4
187.07515	7.4
187.11150	3.8
187.13286	1.5
187.14833	1.5
189.00734	1.0
192.09363	2.1
195.08000	1.3
195.11717	1.1
197.09608	4.2
197.13249	11.9
199.11162	6.8
200.08344	1.7
200.11911	1.3
201.05432	1.4
201.09103	7.4
201.10818	1.2
201.12741	5.0
207.11667	4.1
210.10376	3.0
213.12717	2.1
215.10678	3.6
215.14267	11.3
225.09109	1.7
225.12738	10.0
228.11491	1.0
243.06569	2.4
243.13776	100.0
243.15750	4.9
244.14061	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1016
Annotation	RESVERATROL 4'-METHYL ETHER
Peak:m/z	Relative Intensity
53.03944	1.1
55.01863	1.8
55.05507	1.0
56.96554	1.5
65.03948	1.0
65.89922	0.6
67.05505	1.6
68.99784	3.2
69.03426	0.8
69.07040	0.8
69.79128	3.2
69.79554	1.2
78.04728	1.0
79.05500	7.6
80.05042	0.6
81.03405	2.0
81.07059	2.7
85.02905	1.3
86.09705	1.0
91.05483	9.5
93.07032	1.9
95.04959	6.1
95.08610	0.9
97.02888	0.6
98.20751	1.3
98.97578	0.7
100.11297	0.9
103.05455	1.9
105.07027	8.9
107.04950	100.0
107.08633	1.0
108.05814	0.8
108.44688	0.5
109.02863	1.9
109.06490	4.0
110.81155	0.6
111.04443	1.0
115.05473	0.8
116.98633	1.3
117.07034	1.0
118.04175	1.9
119.04945	8.1
119.08592	0.6
121.02876	3.2
121.06503	22.3
123.04433	7.6
128.06226	1.1
129.07011	1.0
131.04956	1.4
131.08498	0.8
133.06491	9.4
134.07266	22.0
134.99696	0.9
135.04408	74.5
137.05971	4.5
141.06998	4.6
142.15860	1.9
143.08481	0.7
143.16263	2.0
144.05775	0.9
145.06506	1.0
145.10092	1.1
147.04460	0.6
149.05962	10.3
152.06209	0.8
153.06963	2.4
154.07750	2.6
155.08565	1.9
157.06505	0.8
158.07205	1.9
159.08078	2.6
159.11713	0.8
161.05991	4.0
162.06671	1.2
165.07013	16.1
166.07704	2.2
167.08498	1.2
168.05714	1.1
169.06483	0.9
169.10101	1.0
171.08086	1.7
172.08809	0.7
173.05923	1.4
173.09555	1.8
175.07574	1.0
179.08603	1.0
181.06416	3.3
182.07210	6.3
183.08057	9.5
185.05952	1.1
187.07532	0.8
187.22501	0.7
193.06497	2.0
194.07228	2.2
197.09583	3.1
199.07533	1.4
200.08197	0.7
201.09200	0.9
204.76016	0.8
210.06731	5.9
211.07535	11.6
212.08246	3.5
213.05513	0.7
215.10628	1.5
225.09082	2.6
227.07025	1.2
228.07750	5.1
242.28535	0.8
243.10153	95.9
243.21101	1.5
243.28746	8.4
244.10402	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.05509	11.8
56.05022	0.5
63.47663	0.4
64.68893	0.4
69.36926	1.1
69.37339	2.7
70.02959	0.4
70.06590	3.4
72.04519	4.4
74.02441	24.6
78.01408	0.4
80.05015	0.9
81.03415	70.5
82.02948	1.4
82.03735	0.6
82.06575	0.4
83.03716	0.8
84.04503	6.6
86.09713	1.6
88.03994	0.5
96.04494	1.4
97.05284	1.3
98.06052	100.0
98.21564	0.7
99.04462	0.8
99.05569	1.2
99.06363	0.6
100.03338	0.5
100.03960	4.4
102.05531	0.7
106.06554	0.6
108.04480	0.8
108.08110	0.6
114.05488	0.4
118.05008	8.9
124.07556	0.9
128.00240	0.4
128.03421	1.0
129.04150	1.0
130.05029	2.5
132.10184	0.4
134.06001	1.6
136.07629	0.7
146.04475	9.6
151.08673	0.5
152.07098	3.3
158.04469	1.4
161.07091	12.8
162.05479	4.8
179.08154	5.0
180.06528	1.6
197.09235	0.9
197.12782	0.4
198.07617	1.3
208.06064	1.6
225.08739	4.1
226.07114	7.6
243.07645	0.6
243.09807	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	243.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.9
54.03473	0.4
55.01876	0.4
55.05511	1.9
56.05031	1.1
56.96566	0.9
60.04546	0.3
67.05499	0.5
68.05025	1.2
69.03435	1.3
70.06590	13.5
70.64487	0.6
70.64883	0.6
71.04986	1.0
72.04512	4.9
73.02913	0.6
74.02438	23.3
79.05498	0.6
80.05016	22.8
81.03413	100.0
82.02948	2.7
82.03747	1.0
82.06561	1.0
83.01328	0.4
83.04973	1.9
83.06100	0.8
84.04501	8.9
84.08136	4.2
85.02914	0.4
86.09705	8.1
88.03979	0.8
94.06570	2.1
96.04484	1.8
96.08147	0.6
98.06052	36.5
98.97582	1.3
99.04472	1.2
99.05566	10.0
100.03982	1.0
101.02398	0.4
102.05537	0.8
106.06554	1.2
108.04485	0.8
108.08141	0.3
110.06032	0.5
110.07173	0.7
112.05080	4.6
114.05541	0.9
116.07081	0.6
116.98604	0.8
118.05011	7.2
119.01942	0.3
120.04470	0.5
122.06000	0.6
124.03897	0.4
124.07600	0.7
126.05513	14.5
128.00172	0.4
128.03433	1.0
129.06573	0.6
130.04994	3.5
132.10201	3.0
133.07637	0.5
134.06013	2.0
134.99614	0.6
136.07570	0.3
140.05272	0.3
141.06560	0.7
143.04581	0.4
145.06068	6.4
146.01216	0.8
146.04480	3.2
149.07071	0.5
151.08647	0.4
152.07039	1.6
153.05772	0.8
154.04967	2.3
158.04517	1.6
161.07103	0.3
162.05525	0.9
173.02342	1.0
179.08160	7.2
179.97765	0.3
180.06578	1.3
195.07710	2.2
197.09201	1.6
197.12849	2.7
198.07729	0.5
207.07648	0.9
208.06110	0.4
220.03224	0.4
225.08687	8.2
225.10783	0.5
226.07118	3.3
238.04222	0.3
243.09764	14.3
243.13542	0.6
243.15826	0.7
261.03815	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
55.05507	0.8
56.05030	1.6
56.96546	0.6
58.99583	2.5
65.03935	0.7
67.04238	0.7
67.05509	1.6
68.05015	1.0
69.07065	0.8
70.06572	0.7
70.50000	1.6
74.02456	0.7
79.05496	6.8
80.05009	2.1
81.03415	16.9
81.05798	0.4
82.02977	0.6
82.06564	3.0
83.06101	2.2
84.04498	14.1
84.06426	1.0
84.08130	0.8
85.01107	2.5
86.00638	4.9
86.09702	17.0
91.05508	0.7
92.05039	0.5
93.05783	36.3
94.06564	68.5
95.04975	1.1
95.06878	0.5
96.04490	1.0
96.08145	0.8
97.01096	2.7
98.00622	1.1
98.06039	2.8
98.97568	0.7
99.01471	0.7
99.02691	1.3
99.05574	0.8
100.04017	0.5
102.05534	1.2
106.06550	24.2
107.07345	7.0
108.08129	0.6
110.55878	0.5
111.02682	1.0
113.04212	3.2
114.03777	3.3
114.05503	0.7
115.02152	0.6
116.01681	1.5
116.07126	0.5
123.02644	2.1
125.03008	0.4
126.03771	0.7
129.06642	0.8
132.10194	5.3
134.06036	0.7
137.48476	0.5
140.05290	74.1
141.05586	0.8
141.06602	1.0
143.02769	0.9
146.04482	2.2
155.07004	0.7
158.04518	0.5
162.05450	0.7
168.04813	1.1
172.04277	9.3
179.11797	0.7
186.05829	2.5
189.03264	1.0
193.05011	0.5
197.07428	15.5
197.12843	6.8
198.07484	0.5
225.08798	0.6
225.12357	0.8
226.07138	1.3
243.07977	100.0
244.08250	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0865
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
51.54364	1.2
53.03949	4.6
55.01862	3.0
56.96555	5.2
57.03428	1.5
61.02926	11.5
65.03940	11.0
67.05502	5.2
68.05030	1.3
69.03420	3.1
69.07059	1.5
70.06585	3.2
71.04201	3.8
72.08146	1.6
75.60014	1.3
77.03895	1.3
79.05480	6.0
80.04993	1.7
81.03420	13.6
81.07056	6.2
81.20988	1.3
82.04176	3.5
84.04503	5.1
84.08131	1.9
85.02897	7.2
86.09695	5.0
89.03925	1.4
91.05476	20.7
93.05803	2.3
94.04205	1.9
94.06543	4.1
95.04973	17.8
96.04476	2.5
97.02880	3.4
97.06524	2.3
98.06030	3.9
98.97587	3.3
103.05495	1.5
105.03394	3.7
105.04488	1.5
107.04931	9.9
108.02084	1.8
108.32693	1.2
109.06520	20.1
110.03659	4.6
110.41796	1.3
111.04452	4.2
116.98603	1.4
117.25212	1.3
119.04960	7.1
121.06512	2.7
123.04429	14.2
125.02363	8.7
125.05989	3.8
132.98999	1.2
133.02838	13.4
134.99625	2.6
135.04393	6.0
137.01738	1.4
137.05981	20.7
138.03093	2.2
140.04663	100.0
141.04988	1.3
141.06935	1.6
142.02629	2.0
147.04417	6.7
148.01541	1.4
149.02354	1.9
152.04674	3.5
152.07092	2.0
153.05475	3.6
155.07028	89.5
161.02347	2.1
163.03883	3.9
165.01915	2.5
165.05473	18.8
167.07047	2.1
171.06522	4.1
173.08109	11.3
177.00681	1.9
179.07007	11.2
179.08315	2.2
180.04185	18.6
180.06592	4.7
181.04955	76.1
183.06505	3.6
184.03690	2.0
187.07561	2.1
193.04958	29.4
193.06674	1.8
195.06548	13.3
197.06050	2.4
197.08072	9.5
197.12784	1.5
207.06520	30.1
207.08379	2.1
219.01755	1.8
225.07532	19.1
231.05211	9.4
243.08427	12.4
254.01004	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88958	0.1
56.05035	0.1
56.96563	0.6
71.23163	0.1
82.77257	0.1
82.99921	0.2
98.97556	1.0
101.00867	1.4
116.98608	1.6
119.01911	13.8
120.01981	0.4
122.97041	0.1
122.97813	0.2
123.08096	0.1
123.98594	0.1
133.03458	0.1
134.99686	2.5
136.00003	0.1
136.04552	0.1
137.02945	7.6
138.03093	0.2
140.98831	0.3
142.03474	0.2
153.00826	1.5
154.00909	0.1
158.01334	0.1
158.99840	1.1
159.99991	0.1
160.04515	0.2
165.99655	0.2
175.03001	0.3
176.02522	0.1
177.00937	29.2
178.01047	1.6
179.00905	0.3
182.99792	0.6
193.04022	0.7
195.02003	0.8
197.03038	0.1
199.03015	0.1
200.02524	0.6
201.00902	1.3
201.02512	0.3
202.00984	0.2
214.95628	0.1
217.04060	3.7
218.03581	0.7
219.01984	32.3
219.94629	0.1
220.02089	3.6
221.01820	0.8
222.01854	0.1
225.00822	2.1
227.99689	0.1
232.96611	0.2
236.99574	0.1
237.98750	0.1
240.05624	0.1
242.03584	0.8
243.01933	7.5
244.02109	0.3
260.04504	0.3
261.03030	100.0
262.03165	3.5
263.03445	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1537
Annotation	Acutine
Peak:m/z	Relative Intensity
55.05501	1.1
56.96557	1.3
57.07070	0.2
63.72269	0.2
67.05498	0.5
69.07038	0.5
70.06586	0.3
71.04980	0.3
71.08628	0.3
71.59916	0.4
75.32600	0.2
79.05481	0.7
81.03423	0.5
81.07054	1.2
83.04982	1.0
83.08607	0.4
83.43993	0.2
83.87029	0.2
85.06529	0.3
91.05467	0.9
93.07056	0.4
95.08607	0.3
98.97581	0.6
105.07051	0.3
107.04978	0.2
107.08588	0.4
108.08936	0.3
109.10140	0.6
115.44660	0.2
116.98619	0.6
117.05782	0.3
118.06520	0.5
119.07295	0.5
119.08566	0.3
121.00455	1.0
121.10162	0.3
122.10454	0.4
123.11739	0.3
124.11989	0.3
128.06215	0.4
130.06532	0.5
131.07280	0.5
131.08560	0.2
132.08064	0.6
134.99660	0.7
136.07535	0.5
144.08067	7.4
145.08868	4.6
146.09575	0.6
147.10406	0.8
149.02353	0.4
150.13588	0.3
158.09579	0.6
160.11208	92.4
161.11583	1.3
172.11183	0.6
173.11952	0.3
177.00725	0.3
198.12758	0.4
206.19902	0.3
212.10538	0.3
213.05367	0.3
214.15936	0.5
217.02480	0.5
221.11200	0.4
224.20828	0.5
226.12199	0.6
233.92992	0.2
242.15376	100.0
243.15730	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43079	2.5
50.59614	2.2
51.14071	2.3
53.03936	3.5
55.01868	5.8
56.05025	8.0
56.62456	2.5
56.96564	23.0
57.03430	10.0
58.06594	8.7
58.84475	2.2
59.05033	2.6
60.89816	2.2
61.02914	2.7
62.66805	2.1
64.87167	2.3
69.03423	2.4
70.06589	5.2
70.58563	8.9
71.01338	3.7
71.04991	3.3
71.06075	2.4
72.93781	4.1
73.02116	2.3
73.02905	3.8
74.02438	8.9
74.97588	2.6
80.05022	9.8
81.02972	4.9
81.03416	62.1
83.06097	100.0
84.04501	11.1
85.02906	4.2
86.09695	17.2
87.04449	7.2
89.02408	5.7
92.15087	2.3
94.06561	3.9
97.02878	2.7
98.06018	15.8
98.97584	4.2
99.05561	5.2
101.02346	13.8
106.92841	2.5
109.99166	11.2
113.96404	3.6
115.03938	23.8
116.98557	3.1
122.05940	2.6
126.05524	5.2
127.03891	2.5
128.00192	38.9
129.01840	14.0
129.98108	4.3
131.97462	3.4
132.10181	4.4
133.05031	3.0
134.99673	2.9
140.07059	2.8
143.03418	11.0
145.06038	5.8
146.01242	61.5
146.99644	3.6
155.01282	4.7
157.01334	22.2
161.03047	4.1
161.04485	11.9
164.02277	14.9
173.02324	19.6
175.02554	2.9
178.23605	2.5
179.08218	3.3
189.03932	70.0
191.03441	4.6
192.05405	13.0
196.00842	3.5
196.14415	14.6
197.09877	2.3
197.12854	4.3
201.01855	5.6
207.04875	2.8
210.06447	7.5
219.02907	49.3
225.08736	4.6
227.95761	2.7
234.06866	2.4
237.03973	49.8
242.04485	5.3
242.10085	21.2
242.15581	77.1
243.09860	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	242.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
56.05033	6.6
56.96555	5.6
57.03417	1.7
61.02898	1.5
69.03422	1.4
70.06586	2.2
70.84145	1.2
70.84503	2.4
71.04980	0.9
72.08148	1.4
72.93790	1.0
73.02905	2.2
73.48133	0.8
74.02422	2.3
80.05010	2.5
81.02981	1.2
81.03419	16.3
82.59998	0.8
83.06103	100.0
84.04527	5.3
84.08145	1.7
85.02895	1.9
86.09706	7.7
87.04440	1.2
88.82684	1.0
93.05784	1.4
94.06563	2.0
97.02875	1.5
98.06037	3.8
98.72481	0.8
98.97576	1.6
99.05556	3.0
101.02376	1.4
106.06554	1.4
109.99174	2.0
110.07140	1.4
112.03724	1.7
115.03922	2.6
116.98603	1.4
118.05048	0.9
119.01884	2.1
126.05532	1.1
128.00215	5.9
129.01765	1.0
129.06590	3.2
132.10197	1.2
134.99622	0.9
140.05263	2.7
143.03362	2.3
145.06070	2.5
146.01270	9.0
153.05179	1.7
155.01282	1.0
157.01305	3.5
161.04424	1.7
164.02298	2.8
173.02370	4.1
179.08070	1.2
189.00732	1.1
189.03954	8.8
191.03427	1.4
192.05421	4.3
194.32596	0.9
196.00928	1.8
196.09593	1.3
196.14465	11.7
197.12810	1.7
210.06438	2.6
214.01871	1.1
219.02956	8.6
224.09058	2.2
237.03986	7.0
242.04489	1.7
242.10013	21.9
242.15010	46.4
243.07875	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1547
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
53.03954	0.3
54.94311	0.3
55.05476	0.4
56.96554	0.6
58.06599	15.6
70.06593	3.1
70.99073	0.7
72.08149	0.5
81.03408	1.2
83.04977	0.4
83.06052	0.3
84.04485	0.3
84.08141	9.2
85.06527	0.3
93.03716	0.3
95.43531	0.3
96.04491	0.7
98.06049	0.4
98.09679	1.5
100.11225	0.4
114.05512	0.5
124.07578	0.4
126.05502	0.6
126.09155	0.5
128.10709	3.1
129.10135	0.3
135.02907	0.2
144.10196	1.1
146.04472	0.3
150.05450	0.3
158.08014	0.3
168.10207	1.3
171.42342	0.3
175.86209	0.2
196.09676	5.8
211.07106	0.4
213.15973	0.5
223.07472	0.3
231.15298	0.2
241.15460	100.0
242.15826	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1585
Annotation	Dehydrofalcarinone
Peak:m/z	Relative Intensity
55.01865	1.4
55.05492	4.9
56.96566	1.6
57.03421	1.3
65.89570	1.4
66.05268	1.2
67.05492	5.6
69.07044	3.7
71.04993	1.6
71.59858	2.3
74.58248	1.2
75.02662	2.0
79.05492	10.4
79.59652	1.2
81.07043	9.2
83.04968	1.2
83.08613	3.0
85.06523	1.8
87.10033	1.5
91.05473	5.5
92.10650	1.3
93.03722	6.4
93.07034	6.2
95.08591	4.0
97.06508	3.5
105.07020	32.6
107.08591	4.3
109.06479	1.4
115.05466	1.5
116.98599	3.3
117.07009	3.4
119.04943	4.2
119.08575	3.3
121.10133	3.1
125.00040	1.9
128.06226	5.3
129.06998	10.9
131.08553	24.6
134.99695	3.3
135.08069	2.0
141.06999	2.0
141.26244	1.3
142.07774	6.1
143.08551	37.1
145.06468	1.6
145.10100	6.8
149.09630	4.2
153.06909	1.5
155.08548	29.6
157.06610	1.3
157.10120	13.8
159.08058	5.0
165.07034	6.0
166.07796	5.1
167.08553	5.2
169.10089	11.8
171.11711	3.8
179.08484	2.2
180.09355	5.2
181.10115	30.9
182.10869	7.8
185.13177	2.8
193.10176	2.0
195.11696	34.5
195.13397	2.5
197.13277	22.9
199.14896	1.9
208.12378	5.8
213.16367	1.5
221.13298	1.6
223.14807	67.5
241.08505	2.6
241.15878	100.0
241.19595	2.6
258.99771	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2162
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
53.01650	4.2
55.05513	42.4
56.53607	4.7
56.96551	10.7
57.03418	6.1
57.07072	22.5
67.05502	44.3
69.06731	4.9
69.07072	69.2
71.04983	24.7
71.08635	7.0
71.58705	4.7
71.59119	6.2
75.02654	11.7
79.05478	20.4
81.07060	78.0
82.32187	3.9
83.05004	4.6
83.08626	41.4
85.02921	3.9
85.06551	72.5
91.05468	13.7
93.03738	31.7
93.07037	56.1
95.08604	100.0
97.06506	10.1
97.10165	34.4
99.08099	21.6
102.93106	4.8
105.07050	7.4
107.08585	79.6
109.09460	7.2
109.10153	89.3
111.08073	13.9
111.11696	4.4
113.09608	6.2
116.98542	6.5
121.09309	7.2
121.10138	91.6
123.11702	74.5
125.09569	4.8
134.99680	6.5
135.11682	56.1
137.13242	15.7
143.08597	4.7
149.13255	62.1
151.14825	4.4
157.10101	5.8
163.14848	27.3
167.14296	26.2
171.11766	6.0
177.00912	4.5
177.16354	5.2
179.17987	8.2
181.15863	4.5
185.09604	5.9
189.00645	8.3
189.61182	4.3
195.08136	6.2
205.19514	68.6
223.20547	51.5
226.06203	6.8
241.08704	29.5
241.15869	11.6
241.19574	9.0
241.21635	55.9
259.12302	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	241.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.8
55.01870	13.6
55.05268	1.3
55.05510	23.5
56.96542	2.2
57.03430	3.3
61.02914	3.1
64.52025	1.2
65.03940	10.0
67.05503	48.9
68.99784	1.6
69.03427	10.9
69.07052	5.5
70.06567	1.4
71.04991	2.2
71.19173	1.5
71.19493	2.0
73.02918	1.5
75.02663	1.3
79.05491	38.3
81.03431	9.9
81.07040	7.3
82.02892	1.6
83.01340	3.1
83.04979	73.7
84.04480	4.9
84.08120	5.2
85.02894	7.4
87.04472	1.6
91.05481	18.4
93.03327	2.2
93.07040	11.7
95.01306	4.9
95.04972	38.9
95.08619	9.6
96.04479	3.0
96.08111	1.7
97.02867	6.8
97.06524	16.6
103.05481	10.5
105.04558	1.8
105.07030	63.0
107.04401	1.3
107.04973	13.1
107.08581	4.5
109.02865	3.3
109.06538	8.5
111.04438	53.6
112.77491	1.5
115.05450	6.2
116.98634	1.6
117.06994	1.7
119.04882	3.2
121.02862	3.3
121.06493	9.9
123.04420	22.2
123.08057	11.2
125.06002	7.4
129.05423	1.3
131.04906	3.7
131.12535	1.4
133.06496	31.3
135.04413	7.1
135.08069	1.4
137.05956	3.4
139.03859	1.8
139.05391	2.4
139.08640	1.2
140.03180	3.0
141.01630	2.1
141.05490	1.5
149.02341	1.9
149.05971	7.8
151.07564	9.7
153.05472	6.5
161.06000	12.6
161.07277	2.0
163.03918	8.9
165.82768	1.3
167.03365	3.5
167.04721	1.5
167.07018	11.4
168.02679	23.2
177.05470	7.1
179.07034	26.3
181.04947	9.2
185.05992	1.9
195.06465	2.1
196.09404	2.2
205.04805	1.8
213.05327	2.1
223.10526	43.4
224.08911	2.8
241.07048	100.0
241.11534	33.6
241.15434	2.7
242.07524	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	26.2
56.96550	1.3
57.07073	100.0
65.03928	2.1
67.05504	55.0
69.06727	2.1
69.07069	26.5
71.08629	58.6
71.59609	1.9
79.05496	6.5
81.07053	60.0
83.08615	28.5
85.06529	5.0
85.10178	31.1
89.05998	2.3
91.05473	2.6
93.07028	3.2
95.08603	80.3
97.10166	15.6
99.04417	2.1
99.08083	2.9
99.27684	1.2
105.07030	1.9
107.08582	1.4
109.10150	30.9
111.11730	1.8
117.27445	1.2
123.11710	8.0
128.06207	1.6
137.13232	2.3
141.06956	3.6
143.08614	2.2
147.08028	1.2
155.08527	5.1
155.36302	1.2
157.10152	2.2
159.11693	1.5
166.03662	1.2
169.10132	3.6
171.11670	2.5
183.11777	6.1
193.10277	1.6
197.13243	5.2
198.23415	1.2
210.92198	2.9
211.14914	1.3
238.15526	1.5
239.08838	9.5
239.17963	13.2
239.23634	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.9674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00070	6.4
70.55776	18.8
70.56102	7.5
94.93031	11.0
121.22232	6.9
171.38509	6.9
208.71646	6.6
214.47362	6.7
221.95650	100.0
239.96730	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	240.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02530	1.6
53.66429	1.5
56.96569	9.7
60.04500	1.6
68.05030	1.8
71.57916	2.7
71.58306	1.9
84.04508	2.4
84.08150	7.5
98.97572	23.7
100.03980	2.9
108.69444	1.4
116.98610	33.9
119.01899	7.3
129.10219	7.1
134.99646	26.8
138.96416	2.2
146.99728	1.8
153.00691	3.7
156.97473	64.3
156.98781	3.2
157.97502	2.0
171.35512	1.5
174.98532	100.0
175.98615	2.8
177.00902	4.3
179.99049	8.4
189.01401	2.3
197.97438	1.7
198.00111	25.9
198.98534	35.1
199.00296	1.9
202.47525	1.9
205.34630	1.6
215.49989	1.6
215.96446	3.7
216.01143	19.4
216.96404	32.7
216.99579	93.8
219.02095	3.4
222.00119	2.2
234.99785	3.4
239.97932	17.9
240.01251	4.0
240.13345	2.0
240.98129	2.0
257.97598	4.4
258.97247	3.0
258.99536	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	239.2003
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03930	7.4
55.01864	7.2
55.05507	34.4
56.96572	6.1
57.07080	28.6
59.04995	32.0
62.23708	2.7
67.05500	39.0
69.03424	7.3
69.07066	49.6
71.04995	16.2
71.08627	8.7
71.59261	3.1
79.05493	13.0
81.07057	99.6
83.04979	9.0
83.08620	21.6
85.02902	4.9
85.06547	13.6
85.07027	3.2
89.06049	4.2
91.05468	13.4
93.07029	30.3
95.04973	5.4
95.08599	100.0
97.06540	13.6
97.10170	20.2
99.08104	5.5
105.07022	23.4
107.04906	3.1
107.08601	52.7
109.06544	8.0
109.10152	44.8
111.04396	6.1
111.08077	15.1
111.11724	8.7
116.98598	3.6
119.08568	35.6
121.10131	37.2
123.08061	9.7
123.11706	35.9
125.09613	10.9
127.11201	6.0
133.10132	28.8
134.99707	4.2
135.11699	29.5
137.09587	5.2
137.13242	72.6
139.11235	17.6
143.10664	9.0
147.11711	29.2
149.13242	13.7
151.11180	10.4
152.07022	3.5
153.12778	10.8
155.08562	5.4
157.10178	3.4
157.12239	3.7
161.13275	14.1
163.14821	29.5
165.06818	4.3
165.09120	4.0
165.12814	9.7
175.14850	8.6
177.16386	7.7
179.14351	4.8
183.11708	7.3
183.21552	3.3
193.19693	3.5
197.13255	3.6
203.17944	57.0
221.15552	4.7
221.19011	49.4
224.03090	5.7
239.08855	28.2
239.10614	3.9
239.17955	8.1
239.20081	25.0
240.19617	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	239.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29455	0.5
51.10237	0.5
54.03466	0.5
55.01856	0.9
55.05503	2.3
56.05025	2.4
56.96559	4.2
57.03431	1.0
57.07064	1.8
65.03924	2.0
67.04240	1.3
67.05499	4.5
69.03407	0.9
69.07063	1.9
69.71838	3.7
70.06593	1.1
71.04985	2.4
71.08629	1.3
72.08163	0.7
79.05479	1.9
80.04975	0.7
81.03407	1.1
81.07034	3.2
82.02969	0.7
82.06570	9.9
83.01330	0.5
83.04969	1.5
83.08607	1.2
84.04501	53.2
84.08127	1.1
85.02905	0.9
85.06557	0.5
88.03989	5.9
89.03924	1.2
89.06037	1.4
90.04271	0.7
91.05486	2.0
92.04996	6.1
93.03376	0.9
93.07043	1.0
94.06551	2.5
95.04976	1.0
95.08614	3.2
97.06512	0.5
98.97571	0.9
102.05527	1.9
103.05439	0.6
105.07036	0.8
107.04991	1.3
109.10158	2.1
110.06038	100.0
111.04449	2.8
111.06445	0.8
116.98671	0.7
117.03382	0.8
119.04960	0.9
120.08201	0.5
121.06520	0.6
122.06035	0.6
123.04422	0.7
129.10201	0.8
130.04999	19.5
134.99622	0.8
135.04401	2.0
135.20041	0.5
136.04762	1.0
136.07579	1.5
143.00133	1.3
145.02783	0.9
147.04359	0.6
148.07593	0.6
151.03871	0.8
158.04558	1.0
158.05995	1.1
161.01233	1.5
161.05972	0.8
163.03914	8.7
164.04247	3.9
166.04980	0.6
174.00827	0.7
175.08696	0.8
176.07077	3.3
187.02849	0.6
189.00609	0.7
193.12210	0.6
203.02376	0.6
221.09299	1.1
222.07649	2.3
227.40694	0.6
231.01816	1.6
232.02226	0.8
239.05382	0.8
239.08684	7.9
239.14384	0.9
249.02841	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0548
Annotation	6,8-Dihydroxy-5,7-dimethoxycoumarin
Peak:m/z	Relative Intensity
52.65009	0.3
55.05511	1.5
56.96562	1.0
57.03450	0.6
57.07068	0.6
67.05508	1.5
69.03436	0.5
69.07062	1.5
70.52405	1.2
70.52765	0.6
71.04994	0.9
79.05489	1.5
81.07060	1.6
83.04955	0.6
85.02898	0.5
89.06006	0.4
91.05474	1.5
93.07030	1.1
95.04972	0.7
95.08615	1.6
98.97588	1.0
105.07046	1.0
107.92856	0.4
109.06525	0.5
109.10172	0.7
116.98624	0.4
119.04916	0.7
119.08595	0.7
121.10196	0.5
123.08090	0.6
123.11758	0.5
133.10168	0.6
134.99657	0.6
141.01842	1.4
142.02553	0.7
147.04428	0.6
149.02332	1.7
150.03096	0.6
156.04135	0.5
161.01218	0.4
161.05992	0.6
163.03911	0.4
165.05418	0.6
167.03413	0.6
169.01340	1.3
178.02568	3.5
179.03362	2.7
193.04973	2.5
195.02882	40.2
196.03500	0.8
207.06525	1.1
221.04390	1.9
224.03146	90.0
225.03519	1.1
239.05486	100.0
239.51524	0.4
240.05809	1.6
251.90266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03945	2.3
55.01873	2.5
55.05508	17.8
56.96560	2.8
57.03421	5.2
57.07073	9.2
67.05170	2.3
67.05503	35.2
68.81187	1.5
69.03414	4.3
69.07066	18.9
71.04974	6.6
71.08605	1.5
71.60015	2.2
72.42916	1.4
74.44527	1.4
74.94354	1.4
79.05119	1.9
79.05496	22.4
81.07052	80.9
83.04966	8.7
83.08606	7.9
85.02918	2.9
85.06533	5.7
91.05480	16.2
93.06463	3.0
93.07040	53.8
95.04961	7.4
95.08602	100.0
97.06519	10.9
97.10161	7.8
98.97587	2.2
99.04434	6.9
99.08123	2.8
103.05454	1.9
105.07022	43.0
107.04971	2.0
107.08591	50.5
109.06509	8.2
109.10155	41.9
111.08060	8.1
117.07041	7.4
119.08568	42.3
121.06469	5.9
121.09304	3.2
121.10134	36.7
123.08047	5.9
123.11693	9.2
124.07992	1.5
125.09640	5.0
129.07007	3.5
130.07790	3.2
131.08569	21.6
133.10117	18.2
134.99606	1.6
135.08049	6.2
135.11681	32.5
137.05957	2.7
137.09634	6.3
139.11148	2.7
143.08470	1.9
144.09296	2.1
145.10114	49.8
147.11684	16.1
149.09608	5.1
149.13271	14.7
151.11169	3.5
157.10126	2.7
159.11684	43.1
161.13242	29.4
163.11177	8.0
163.14822	6.3
173.13251	14.2
175.14838	6.3
177.12750	6.2
177.16405	6.0
179.14406	2.1
181.08682	2.8
189.16336	13.7
191.14259	2.7
191.17943	45.3
192.06593	3.7
193.15791	1.8
201.16367	68.3
202.16623	1.6
207.17421	3.5
219.10194	1.7
219.13870	5.4
219.17416	41.7
237.07309	3.4
237.10995	2.4
237.12695	2.3
237.14737	20.7
237.18494	53.3
237.22203	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	237.1848
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03939	6.7
54.01495	2.9
55.01849	7.4
55.05513	30.3
56.96568	18.9
57.03428	11.7
57.07072	13.2
59.05002	5.9
65.03921	3.3
67.01848	4.8
67.05499	39.8
69.03424	36.2
69.07063	37.6
69.68751	25.9
71.04987	53.5
71.08617	3.6
72.79186	3.2
73.02888	3.0
77.38822	3.4
79.05492	40.6
81.03409	5.8
81.07050	100.0
83.01295	3.5
83.04977	13.4
83.08610	10.8
83.80102	3.4
85.02908	12.5
85.06541	11.8
91.05474	36.8
91.07006	3.0
93.07035	50.9
95.04955	27.0
95.08599	53.1
97.02911	5.2
97.06537	22.5
97.10143	7.1
98.20770	7.1
98.97585	20.0
99.04451	5.5
99.08076	34.2
103.05427	5.1
103.89693	3.3
105.07024	55.3
107.04943	9.5
107.08589	52.0
109.02859	4.8
109.06532	28.7
109.10139	46.4
111.08088	11.0
111.11704	3.5
115.05484	5.3
116.98642	16.2
117.07034	14.2
118.06497	3.1
119.04971	4.2
119.08591	30.0
121.06496	8.6
121.10151	31.6
123.04387	5.9
123.08068	13.6
123.11697	24.9
125.05997	5.5
125.09616	18.2
127.07525	12.0
127.11192	54.8
128.06174	4.5
129.06998	7.1
131.08522	25.0
133.10129	53.6
134.99643	12.4
135.08069	10.7
135.11664	20.6
137.05995	8.0
137.09581	8.3
139.11165	10.2
143.10657	5.5
144.09372	5.0
145.10118	30.8
146.10434	3.6
146.99648	4.0
147.11702	14.5
149.02336	9.1
149.09555	4.0
149.13251	9.6
151.11172	74.2
153.01967	3.9
155.10674	14.5
156.08145	4.6
158.99777	4.5
159.08003	4.7
159.11647	19.2
161.09613	3.3
161.13255	13.7
163.04114	3.3
163.07529	5.5
163.11162	8.9
163.14822	4.8
165.06970	3.5
169.12245	4.6
173.13255	9.3
175.11221	4.2
175.14806	4.6
177.00732	9.7
177.05484	8.0
177.12807	5.4
177.16483	6.2
178.45135	3.6
181.10185	4.7
182.07109	4.1
187.07442	5.5
191.07092	10.4
191.14273	4.0
191.17918	7.5
193.04962	89.9
194.05399	4.4
194.07036	5.6
195.11658	7.9
201.16353	17.7
203.07518	8.4
216.06340	5.4
219.06532	11.1
219.10051	7.0
219.13835	10.4
219.17337	17.6
225.06984	5.5
228.10159	7.1
237.07512	86.2
237.10101	5.3
237.10626	4.4
237.12605	7.7
237.14952	17.1
237.18506	35.9
237.22064	19.1
238.07695	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	237.1846
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03941	3.5
55.01868	8.1
55.05505	23.8
56.96564	3.5
57.03426	10.6
57.07066	9.9
62.94274	2.4
65.69183	2.3
67.05491	28.7
69.03416	25.4
69.07052	20.1
71.04990	47.7
71.59187	4.7
79.05483	33.9
81.03406	3.1
81.07047	100.0
83.04969	12.9
83.08607	9.5
85.06535	9.3
91.05478	19.7
93.07040	31.9
95.04958	22.0
95.08604	42.2
97.06517	16.4
97.10165	4.3
97.75003	3.5
99.04441	3.6
99.08092	34.0
104.07027	3.0
105.07008	41.6
107.04979	7.4
107.08579	37.9
109.06496	28.3
109.10125	39.0
111.04455	3.6
111.08071	8.1
116.98602	4.8
117.06996	4.8
119.08557	24.4
120.08125	3.7
121.06496	4.9
121.10108	28.6
123.08044	13.5
123.11718	21.1
125.09632	17.3
127.07522	17.5
127.11180	49.7
129.07005	3.5
131.08560	11.2
133.10117	51.6
135.04347	3.0
135.08054	7.4
135.11708	15.5
137.09618	9.0
139.11192	9.5
143.10663	10.0
145.06459	2.9
145.10112	28.0
147.11685	12.9
149.09569	5.0
149.13292	6.2
151.11172	76.1
151.21849	2.9
155.10652	15.6
159.11729	16.5
161.13229	6.6
163.11180	8.9
163.14792	3.0
165.09088	3.6
166.80643	3.2
169.12135	4.5
173.13298	5.5
177.09174	3.2
177.12788	8.5
177.16435	4.0
181.08649	2.8
181.10213	3.5
191.17931	3.5
193.04895	3.4
201.16449	14.5
201.18019	2.5
215.07393	2.7
219.06403	2.8
219.14061	5.0
219.17406	19.0
237.07535	10.2
237.12878	3.6
237.14830	8.9
237.18503	28.7
237.22148	11.1
238.07416	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41146	0.5
53.03945	0.5
54.03454	0.5
55.01867	1.8
55.05503	1.2
56.96557	3.1
56.97050	0.5
57.07071	2.0
59.05004	0.5
65.03926	0.7
67.05500	2.2
68.05006	0.7
69.03419	0.6
69.07056	1.6
69.27303	0.5
69.33356	4.9
70.06596	1.7
71.04981	0.5
72.08128	0.7
73.08466	0.5
74.02445	3.0
74.30586	0.5
75.03198	1.1
75.52318	0.5
77.03971	0.5
79.05491	2.5
80.04985	0.7
81.03431	0.9
81.07058	1.8
82.02930	0.5
83.04960	1.6
83.08591	0.9
83.34274	0.5
84.04503	0.8
84.08130	1.1
85.02888	0.8
85.06547	0.7
86.09698	0.9
89.03917	2.4
91.05485	3.2
93.03378	0.6
93.07050	2.2
94.06563	1.6
95.04965	1.8
95.08595	1.2
97.06483	0.8
98.20689	0.8
100.62749	0.5
103.05454	4.1
104.05016	0.6
105.07054	0.5
107.04937	1.9
107.08611	0.9
108.04485	1.2
108.08132	0.9
109.06512	0.6
109.10115	0.6
110.06046	1.7
111.04414	1.1
111.08128	0.6
113.06005	0.5
117.03376	1.1
117.05769	0.8
117.06952	0.6
118.06548	6.9
120.04482	2.3
120.08099	80.4
121.06511	0.6
121.08483	0.9
121.10149	1.0
122.06078	0.7
124.99132	0.7
125.09618	0.6
128.04942	6.5
129.10243	0.7
130.06522	11.3
131.04927	2.9
131.07339	1.0
131.08537	0.8
132.04437	1.4
133.02907	0.6
133.05231	1.8
134.05995	0.7
135.04407	4.0
135.08069	0.9
135.11685	0.6
136.07579	4.0
143.00140	2.2
145.02840	2.3
145.07579	1.0
146.06004	100.0
147.04308	0.8
147.06357	1.5
148.03935	15.5
148.07568	1.1
148.11212	0.8
149.05978	3.1
149.07011	0.5
150.05563	1.0
153.12711	0.5
157.07602	11.0
158.06003	0.8
159.04579	0.6
159.09193	2.3
161.01228	5.5
161.02409	0.8
162.05507	0.9
163.03899	15.1
163.05951	1.1
163.07445	0.7
163.08682	0.7
164.07053	2.3
166.08633	49.3
173.07147	5.8
174.05490	13.1
174.07744	0.6
175.06046	0.6
175.08665	0.8
176.07086	1.3
177.05476	1.0
178.05003	2.3
185.01222	1.6
185.06969	0.5
189.00710	0.7
191.08154	18.5
191.11800	2.6
192.06583	2.1
192.08301	0.7
202.04964	2.3
203.02269	1.5
203.08130	7.0
219.07925	0.7
220.06065	4.7
231.01872	0.8
237.00766	0.7
237.08792	10.0
237.12459	3.3
237.14792	1.1
237.22025	2.9
249.02740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0868
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
51.91211	0.2
54.03963	0.2
55.01872	0.3
55.05501	1.1
56.05018	0.6
56.27368	0.2
56.96562	2.6
57.07064	0.6
60.04513	0.9
64.42312	0.2
67.05492	0.8
69.03420	0.4
69.07072	0.7
70.06602	1.5
71.01340	0.8
71.57873	0.3
72.04526	0.3
72.08141	1.2
74.02441	6.9
78.42749	0.2
79.05495	0.5
81.03416	0.8
81.07039	0.6
82.06564	0.9
83.04976	0.6
83.06092	0.2
83.08613	0.4
84.04502	0.8
84.08148	2.4
85.02917	0.3
85.04041	1.1
86.09717	1.1
88.03979	0.7
89.03922	0.3
89.05595	0.2
91.05485	0.8
93.07031	0.6
94.06555	0.7
95.04961	0.4
95.08599	0.4
97.02885	0.3
99.04451	0.4
103.03957	0.4
107.04938	1.3
107.08588	0.5
110.06034	0.5
110.07160	0.7
116.98630	0.5
117.03378	0.3
118.06546	2.0
120.08092	1.0
121.06525	0.3
121.10116	0.4
122.51566	0.2
128.04961	4.9
129.10243	0.8
130.06512	1.1
131.03413	0.5
132.04465	0.8
134.99641	0.4
135.04419	0.8
135.11726	0.4
136.07567	0.4
138.05513	0.2
143.00162	0.5
146.06004	100.0
146.99658	0.3
147.06310	1.8
148.03922	1.7
149.13399	0.2
150.05884	0.3
157.04974	0.3
158.06026	1.0
159.02911	1.4
161.01193	0.5
163.03905	2.9
172.95305	0.4
173.07089	0.8
174.05525	0.6
175.08701	0.3
177.05630	0.2
177.52911	0.3
190.96283	0.5
190.98595	0.6
191.08224	1.5
192.06573	0.4
202.05130	0.3
203.02223	0.4
219.07777	1.8
231.01831	0.5
237.08812	4.0
237.12862	0.3
237.18430	0.3
237.22240	1.2
249.02821	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
64.03550	1.0
70.45046	2.0
78.83220	0.8
133.01624	5.4
149.01122	100.0
162.04292	26.5
169.36446	1.0
170.99049	2.5
176.05849	32.8
176.07396	1.6
177.06647	7.3
189.00105	2.5
192.09003	7.4
201.51982	0.8
211.09239	1.0
215.76952	0.8
236.07953	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	237.0868
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
50.13795	0.3
53.03937	0.5
55.01856	1.2
55.05492	1.2
55.14945	0.4
56.96562	2.3
57.07061	1.6
58.36151	0.4
65.03921	0.9
67.05479	1.1
69.03397	0.4
69.07043	1.3
70.06596	0.5
70.26775	1.6
71.04990	0.5
74.02438	2.9
75.03215	0.5
79.05496	1.6
80.05001	1.3
81.03406	0.6
81.07047	1.6
82.02939	0.6
83.04951	1.1
83.08608	0.9
84.08141	0.6
85.02895	0.5
85.06509	0.6
86.09699	0.9
89.03914	1.0
91.05489	2.7
92.05037	0.4
93.07042	2.0
94.06560	2.1
94.23818	0.4
95.04961	1.2
95.08595	1.4
103.05487	2.0
104.05001	0.7
105.07025	0.7
107.04934	1.0
107.08595	1.2
108.04465	0.9
109.06499	0.5
110.06014	1.4
111.04417	1.1
111.08045	0.4
115.08647	0.5
116.98649	0.4
117.03361	0.9
117.05757	0.6
117.07001	0.4
118.06536	7.6
119.04902	0.5
119.06023	0.4
119.07361	0.5
119.08590	0.5
120.04475	1.8
120.08096	26.6
121.06516	0.5
121.10101	0.6
122.05992	0.5
125.09689	0.4
128.04951	5.6
130.05562	0.9
130.06516	12.1
131.04909	1.1
131.07265	1.3
132.04446	1.7
132.07964	0.5
133.05203	1.9
134.99648	0.5
135.04417	1.3
135.08093	0.7
135.11646	0.6
136.07579	3.6
143.00117	1.1
144.08122	0.8
145.02872	0.5
145.07623	0.9
146.06000	100.0
147.04427	0.5
147.06360	1.5
148.03920	13.4
148.05110	0.8
148.11264	0.6
149.05952	0.8
150.05476	0.9
156.04500	0.4
157.06287	0.9
157.07593	10.5
158.05998	0.9
159.09186	2.2
161.01212	1.8
162.05354	0.5
163.03897	5.2
163.05980	0.5
164.07082	2.1
166.08638	16.5
173.07083	4.3
174.05505	11.5
174.07851	0.9
176.07027	0.5
177.05421	0.5
178.04980	2.7
179.02185	0.5
185.01213	0.8
185.07030	0.6
190.59323	0.4
191.08144	18.4
191.11787	1.3
192.06543	1.8
202.04991	1.7
203.08157	8.7
205.05089	0.5
209.09241	0.5
217.98848	0.4
219.07799	0.8
220.06075	4.5
220.08232	0.8
231.01764	0.5
237.03870	0.5
237.08762	8.9
237.12465	1.4
237.14859	0.9
237.22067	1.9
249.02727	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1328
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
52.59186	1.4
53.03939	5.7
55.01868	8.5
55.05509	20.0
56.96569	16.1
57.03439	3.3
57.07071	26.8
59.04985	2.4
61.02893	2.0
65.03933	2.5
67.05504	29.4
67.80664	1.4
69.03419	11.8
69.07066	14.0
70.99342	3.2
71.04990	11.3
71.74764	1.3
79.05488	53.0
81.03420	7.0
81.07053	87.7
83.04979	12.5
83.08613	4.3
85.02892	4.8
85.06528	3.9
91.05480	40.1
93.07040	54.1
93.07622	2.8
93.55563	1.7
95.04962	29.3
95.08603	30.5
97.02888	5.5
97.06523	27.1
97.10120	2.6
98.97582	14.8
99.04442	6.8
103.05463	5.6
103.38585	1.5
105.07026	69.3
107.04951	13.1
107.08585	37.4
109.02875	1.9
109.06509	43.2
109.10149	13.2
111.04433	2.3
111.08083	2.7
113.05985	3.1
115.05434	13.7
116.98608	16.8
117.06993	12.5
118.06497	1.9
119.01806	4.4
119.04949	3.7
119.08568	44.5
121.06499	100.0
121.10120	15.3
123.04415	6.5
123.08051	9.5
123.11709	7.5
125.05992	6.4
125.09557	1.9
127.07551	22.1
128.02344	3.6
128.06212	9.4
128.98618	3.4
129.06996	13.7
130.07799	1.7
131.04926	3.0
131.08575	15.3
132.05667	2.9
133.06467	15.9
133.10136	26.5
134.99663	13.5
135.04366	7.7
135.08061	22.6
135.11676	8.1
137.05978	12.7
137.09612	2.7
139.07515	5.7
141.07014	3.7
142.07782	10.7
143.04903	1.9
143.08545	25.1
145.06497	11.2
145.10114	14.7
146.05968	10.3
146.07094	1.9
146.99648	4.1
147.04425	2.7
147.08041	21.7
147.11671	29.6
148.54977	1.5
149.05937	2.5
149.09624	2.0
149.13281	3.5
151.07521	2.7
151.11255	2.2
155.08553	4.4
156.09352	8.9
157.06480	3.9
157.10121	35.3
158.07353	1.5
158.99654	6.5
159.08063	3.7
159.11664	8.0
160.08818	1.9
161.01262	1.9
161.05942	10.2
161.09601	5.9
161.13277	22.3
163.07507	3.0
163.11150	2.7
165.07056	2.4
165.12767	3.1
166.07809	3.5
167.07053	2.5
171.08052	1.7
171.11670	29.6
173.05992	4.6
173.09628	6.1
173.13258	3.2
175.07573	9.7
175.11182	38.9
175.14792	7.4
177.00711	13.5
177.12839	2.0
179.10640	19.1
181.10109	5.6
184.08830	2.8
185.01082	1.7
189.09091	2.3
189.12732	35.4
189.16396	10.3
191.07033	9.1
193.12242	4.6
194.97450	1.6
199.11177	41.5
199.14880	4.6
203.07040	10.1
206.08835	3.1
207.13747	3.1
214.08505	4.5
215.09251	3.2
217.10130	2.6
217.12244	67.4
217.15611	11.5
217.19460	2.7
224.09938	2.3
226.06721	3.0
235.07504	3.9
235.09499	12.0
235.13298	53.4
235.16942	69.0
235.20641	6.9
236.08153	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	235.1328
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
51.02382	0.5
51.67262	0.5
53.03944	2.6
55.01867	2.9
55.05507	5.4
56.96556	1.9
57.03434	1.1
57.07074	3.8
59.05007	0.4
60.04516	0.5
65.03931	1.0
67.05502	9.6
69.03429	4.0
69.07074	2.3
70.84833	0.9
70.85212	0.7
71.01337	0.6
71.04988	2.3
73.57987	0.4
77.03950	0.5
79.05490	26.0
81.03423	0.7
81.07055	37.0
82.07389	0.6
83.04987	5.3
83.08617	0.9
83.45744	0.4
85.02891	0.7
85.06553	1.3
91.05479	22.2
93.07040	40.6
95.04349	0.8
95.04964	13.0
95.08600	8.8
97.02888	1.8
97.06524	10.6
98.97579	3.1
99.04447	4.2
101.06015	0.8
103.05451	1.7
105.04524	1.0
105.07025	28.0
106.07349	0.5
107.04959	9.0
107.08589	12.3
109.06516	26.8
109.10169	1.3
110.97598	0.5
111.04429	1.4
111.08071	1.5
113.06007	0.8
115.05470	1.3
116.06255	0.5
116.98610	2.2
117.07011	3.5
119.04931	1.3
119.08581	16.3
120.08132	3.5
121.06500	100.0
121.10120	2.4
122.06826	1.3
123.04444	3.8
123.08065	3.6
123.11688	1.5
125.05968	2.9
127.07561	10.1
128.06227	3.1
129.07004	5.8
130.06509	1.4
130.07797	0.7
131.08565	5.8
133.06497	5.2
133.10126	7.2
134.99649	1.3
135.04431	5.5
135.08041	6.3
135.11694	1.5
137.05988	5.5
137.09578	0.8
137.13226	0.6
139.07524	5.1
141.05476	0.6
141.07001	1.5
142.07771	6.9
143.08565	9.7
144.08012	0.8
145.06482	2.0
145.10115	6.2
146.06017	1.1
146.07213	0.6
146.99594	0.4
147.04295	0.5
147.08054	5.4
147.11681	15.8
149.05960	0.8
149.09618	1.4
149.13261	0.7
151.07535	1.1
152.07095	0.5
153.07022	0.6
155.08536	1.5
156.09337	4.0
157.06445	1.4
157.10121	15.2
158.07219	0.5
158.99605	0.7
159.08083	1.6
159.11652	1.2
160.05128	0.6
160.08821	1.0
161.05927	2.8
161.09599	2.1
161.13240	5.2
163.07535	0.7
163.11226	0.6
163.14804	0.5
165.07001	1.5
165.12726	0.9
166.07771	3.5
171.08044	1.6
171.11684	14.6
173.09624	1.8
173.13246	2.1
175.07564	0.7
175.11183	24.8
175.14818	1.0
176.11674	0.6
177.00740	1.8
177.09084	0.5
179.08632	0.6
179.10677	2.3
181.10110	4.8
184.08794	2.1
189.12744	19.7
189.16373	1.4
191.06934	0.6
191.10666	0.5
191.14342	0.8
193.12288	0.9
199.11172	23.3
207.13873	1.0
213.56616	0.6
217.12228	38.0
217.15845	1.7
231.66310	0.4
235.07683	0.7
235.09651	1.0
235.13295	24.2
235.16948	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	234.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59643	1.3
56.05027	3.4
57.05354	2.3
69.07072	21.9
70.06589	3.2
70.07396	19.8
71.58362	2.5
72.04517	1.5
72.08156	2.4
83.06110	1.6
84.04504	80.4
84.08139	5.0
85.02891	3.4
85.04233	4.0
85.04830	48.2
85.08482	1.3
86.03239	2.7
86.06101	1.7
86.09704	100.0
87.09440	6.7
87.10027	87.6
88.07610	1.5
98.06042	2.1
98.97599	1.6
99.06396	1.6
102.05519	3.7
104.10741	24.7
105.10429	1.3
105.11071	23.5
118.88300	1.2
126.08315	1.3
130.05000	23.6
131.05345	22.7
146.04424	1.4
152.12738	1.4
153.11084	3.0
170.13702	10.0
171.12154	7.0
187.98795	2.3
189.50273	1.1
198.11269	2.8
198.13104	2.8
199.11598	49.6
210.18973	1.2
216.14255	52.9
217.12675	16.1
217.14774	1.8
217.15562	1.8
234.15309	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	235.1077
Annotation	CYCLO(-PHE-SER)
Peak:m/z	Relative Intensity
56.05038	2.5
57.07069	0.5
60.03398	0.3
61.78373	0.4
64.83783	0.4
68.05022	1.5
69.03452	0.5
70.83843	1.1
79.05490	1.5
82.32071	0.4
84.04503	20.0
94.06557	0.7
95.33488	0.4
102.05561	0.6
106.06554	100.0
107.06905	1.3
112.61562	0.4
113.02346	0.6
114.05537	2.0
118.06549	5.8
130.05006	0.8
130.06500	2.3
134.05981	0.4
142.04991	1.6
144.08069	4.2
145.07605	0.7
154.06487	1.8
158.05972	0.5
160.07555	0.8
162.09146	2.0
169.07652	0.4
171.09171	58.6
172.07555	4.1
172.09724	1.1
174.09164	0.9
179.10585	0.6
189.10228	2.5
190.08629	2.0
199.08719	0.8
200.07089	0.9
204.08943	0.7
215.08195	0.5
217.09717	43.0
218.08142	10.5
218.10083	1.3
235.10770	27.0
235.16968	1.7
236.11220	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.2262
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
52.63603	0.5
53.03939	1.8
54.40229	0.6
55.05511	13.1
57.07075	2.8
65.03930	1.9
67.05502	93.9
69.07067	12.7
71.04980	0.7
71.08617	1.2
71.60227	0.6
79.05490	20.9
81.07055	100.0
83.08611	6.7
91.05481	5.6
93.07045	27.2
95.04970	2.7
95.08603	89.0
96.08941	0.8
97.10178	5.2
105.07021	3.0
107.04977	1.2
107.08592	14.2
109.06554	0.8
109.10154	42.4
111.11699	1.0
119.08610	1.6
121.06531	1.8
121.10139	25.7
123.10816	1.1
123.11703	16.6
131.08592	1.5
133.10065	0.9
135.08095	1.3
135.11690	22.9
137.13252	10.1
137.89702	0.6
143.55563	0.6
145.10089	1.2
147.08089	0.6
149.09662	1.2
149.13251	9.4
151.14809	5.2
151.45732	0.5
159.07968	0.7
159.11678	0.6
163.11145	0.6
163.14809	5.2
165.10789	0.6
165.16412	0.7
177.16434	2.6
191.14305	0.8
191.18018	1.2
219.06743	0.6
233.11644	0.9
233.15547	5.1
233.19055	35.5
233.22623	78.2
234.19382	1.3
234.23029	1.7
253.48959	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.2263
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
53.03940	1.5
53.85032	1.1
53.95675	1.0
55.05303	1.3
55.05509	14.5
57.07068	3.1
57.87641	1.3
65.03915	1.7
66.66097	1.1
67.05504	96.4
69.07068	14.9
71.60204	1.0
77.38052	1.0
79.05491	25.9
79.05954	1.5
81.03427	2.1
81.07055	100.0
83.08614	7.0
91.05465	5.0
91.14779	0.9
93.07043	30.0
95.04993	2.2
95.08605	87.4
97.10158	4.8
105.07022	2.1
107.04922	1.8
107.08595	17.3
109.10153	41.9
111.11881	1.0
121.10145	28.9
123.11697	16.6
131.08545	2.2
133.10089	1.3
134.44795	1.2
135.11687	23.9
137.13243	9.8
145.10135	2.3
149.09723	1.2
149.13268	12.6
151.14818	5.8
163.14809	5.0
171.67215	1.1
177.10493	1.1
177.16371	4.5
178.06256	1.7
186.11049	1.2
191.17943	2.5
213.39349	1.2
215.17883	1.4
233.15556	5.2
233.19067	33.1
233.22629	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	233.1533
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03924	2.9
55.01862	1.7
55.05511	9.0
56.96550	6.8
57.03415	1.6
62.35395	1.6
65.03923	2.8
67.05499	21.3
69.03399	2.5
69.07066	17.3
71.04988	3.2
71.59755	2.3
79.05073	1.9
79.05490	37.6
81.03410	2.5
81.07053	21.9
83.04981	1.6
83.08597	4.0
85.06574	1.8
91.05477	95.4
93.07040	22.4
94.72790	1.8
95.04954	9.3
95.08595	13.5
97.06532	3.0
103.05472	11.0
105.07024	92.6
107.04951	11.4
107.08582	13.5
107.09247	2.5
109.06506	3.1
109.10135	4.4
111.08038	1.7
112.66962	1.6
115.05382	2.1
117.06996	26.3
119.08575	61.1
121.06485	6.0
121.10132	5.0
128.06226	1.7
129.06976	11.4
131.08560	52.4
133.06488	3.7
133.10118	15.9
134.99640	1.8
135.08043	4.9
135.11653	2.3
137.05943	4.8
141.06972	3.3
143.08521	3.2
145.06483	3.9
145.10109	15.0
147.07933	3.7
149.01239	3.1
149.09576	3.6
155.08467	3.8
157.10179	2.2
159.08025	3.4
159.11703	5.3
167.02269	2.0
169.10074	6.4
169.13350	2.1
171.11676	11.3
173.13278	14.9
177.05460	5.8
177.09076	2.0
178.06233	5.8
178.96068	1.8
181.58574	2.9
187.11220	3.8
187.14774	7.4
190.58990	2.1
197.13275	10.6
215.07198	2.2
215.14326	10.4
228.14365	1.9
233.11658	5.3
233.15344	100.0
233.18805	10.1
246.15457	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01863	1.4
55.05478	0.9
56.05027	8.3
56.96560	9.5
57.03416	2.0
57.07058	0.9
58.06581	1.2
64.94648	0.8
67.05482	1.3
68.05007	2.0
69.03425	8.4
69.07066	40.7
70.02975	1.2
70.06566	3.7
70.77279	2.2
70.77614	1.0
70.98103	1.0
71.04974	5.4
72.04507	2.4
72.08154	8.6
72.12197	0.8
73.02903	1.7
74.02444	4.6
74.06078	17.7
81.03391	1.3
82.02931	1.1
83.06094	0.9
84.04500	82.6
84.07676	1.5
84.08135	13.7
84.96005	1.1
85.02922	6.7
86.06051	8.6
86.09701	49.6
87.08101	14.4
88.03989	3.8
88.07626	23.1
89.08714	0.8
92.11646	0.9
96.04464	4.1
97.02834	0.9
97.06538	0.8
98.06053	11.8
98.97541	5.2
99.04430	1.2
100.03959	1.7
102.05513	4.6
104.07076	1.0
104.10736	100.0
105.11043	1.5
110.97544	1.3
112.07542	1.0
114.09155	2.2
116.98603	4.2
118.04995	1.3
118.08614	4.1
119.01903	3.9
121.01674	3.2
128.98611	1.1
130.04021	2.0
130.04994	38.1
132.10185	2.9
133.03445	1.0
134.99641	1.6
137.02972	1.6
139.02667	1.5
142.04999	5.7
142.08636	3.1
145.03448	3.0
146.04514	4.2
146.99692	1.1
152.07059	20.6
152.10692	2.7
156.06561	1.4
161.02957	1.5
163.04527	1.2
165.00737	1.3
168.03650	5.4
169.09723	2.3
169.13321	1.3
170.08063	6.8
170.11755	18.9
173.01366	1.0
173.02899	1.2
174.99101	1.2
175.04469	1.4
177.00572	0.9
177.04149	3.0
187.10782	3.3
187.14368	1.9
189.04256	2.0
190.98631	2.9
191.03999	3.5
197.01329	1.2
198.07603	1.3
198.11301	8.4
198.99190	1.3
208.99664	3.1
211.10966	1.4
215.02319	2.6
215.10295	2.8
215.13899	14.2
216.08719	4.4
216.12299	52.9
217.00209	1.6
233.05151	1.2
233.11580	3.5
233.14949	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	233.1534
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03931	2.6
55.05493	3.7
56.96550	3.3
57.07058	1.7
57.93557	0.9
67.05481	2.3
69.03410	5.4
69.07047	2.2
71.57587	1.0
71.59617	1.6
79.05488	54.1
80.05812	0.9
80.06265	0.9
81.07051	4.1
83.04938	2.0
83.08607	7.2
85.02898	0.9
85.78884	0.8
91.05460	6.5
93.07061	5.8
95.04974	6.4
95.08605	2.1
97.06506	1.0
97.97018	0.8
98.97579	1.1
105.04533	0.8
105.06482	0.9
105.07037	10.2
107.04948	60.0
107.08590	9.4
108.05268	0.8
109.06483	2.0
111.04443	0.9
111.08076	6.2
115.05437	1.4
115.73514	0.7
116.47443	0.7
117.06999	2.2
119.08573	5.3
121.06495	2.3
121.10121	5.4
123.08044	1.1
125.09609	3.3
129.06984	1.8
131.07619	0.9
131.08530	5.8
131.97385	0.9
133.10115	5.6
135.08029	1.6
142.07840	1.1
143.08609	1.4
144.42792	0.9
145.06444	1.9
145.10129	3.3
146.92375	0.9
147.11658	8.3
149.09618	8.7
149.13240	3.8
157.10114	2.1
158.10794	1.4
159.07883	0.9
159.11665	1.3
160.08833	2.0
161.09633	1.2
169.10146	0.9
172.05173	1.0
173.09561	1.9
173.13293	6.2
175.11165	11.8
177.08952	0.9
191.14291	67.0
192.14584	1.1
197.13194	1.2
215.07069	1.1
215.10423	1.2
215.14249	2.1
223.61322	1.1
233.07933	2.1
233.11977	6.3
233.15346	100.0
234.15529	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03942	2.6
55.01859	3.4
55.05503	4.1
56.96552	5.6
57.03421	2.5
57.07053	4.7
67.05496	10.4
69.03426	16.2
69.07074	9.8
70.95087	3.2
71.04971	3.9
74.02425	3.3
79.05064	1.9
79.05490	28.5
81.03400	2.5
81.07053	17.9
82.02966	2.7
83.04948	4.7
83.08620	4.0
85.06525	3.4
88.11226	2.7
88.85646	1.5
91.05473	22.0
93.07034	15.3
95.04964	30.9
95.08606	9.0
97.06544	11.5
98.97605	1.7
103.05458	3.4
105.06515	1.7
105.07040	21.1
107.04952	17.3
107.08587	17.7
109.06549	7.6
109.10140	7.4
111.04372	1.8
111.08109	2.5
115.05436	4.1
117.07018	11.7
119.04932	11.3
119.08574	100.0
121.06550	8.2
121.10121	11.2
123.08054	3.2
123.11679	3.5
128.06149	1.7
129.07010	4.4
130.07715	2.6
131.04907	3.0
131.08562	17.7
133.06479	9.2
133.10135	10.4
134.99689	2.4
135.08017	5.2
135.11646	3.5
136.97961	1.4
137.05952	14.8
141.06979	4.7
141.31503	1.6
143.08536	3.9
144.05696	4.0
145.06493	10.3
145.10104	20.3
146.04497	1.7
147.04410	2.0
147.08051	2.7
147.11673	7.3
149.06012	2.0
149.09630	13.3
151.11206	1.8
154.07837	1.6
155.08533	6.0
156.09332	4.9
157.10139	8.0
158.10918	1.8
159.08052	7.3
159.11612	10.4
161.05980	2.5
161.13211	2.3
163.11209	4.9
167.08565	3.8
169.10162	3.0
169.13332	5.6
171.11729	8.1
172.05157	5.7
173.05936	5.8
173.09631	10.0
173.13216	11.5
175.11166	6.7
177.09122	4.2
182.10909	6.3
187.11189	5.7
187.14764	12.2
189.12712	9.0
190.06294	2.0
191.03383	2.4
191.14282	19.6
197.13312	10.2
201.05501	1.9
205.08630	6.4
205.12117	2.1
205.15858	2.1
215.06891	2.1
215.08783	2.3
215.10698	5.7
215.14256	18.6
215.17738	3.1
216.12358	5.3
233.07957	14.6
233.11615	8.3
233.15332	66.6
233.18993	7.5
233.22916	2.6
234.15634	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1494
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
51.45195	0.3
55.01870	2.2
56.05016	0.7
63.88846	0.3
65.90700	0.3
71.06122	0.9
71.08630	22.7
71.32657	0.6
72.04514	4.6
73.02911	3.1
74.02441	18.9
82.02942	32.7
82.85776	0.3
83.01339	3.6
83.03735	0.4
84.04498	1.8
85.02914	1.2
86.09700	4.3
88.11267	66.3
89.11626	0.4
95.06096	0.3
96.04507	2.3
99.05582	2.0
100.03364	0.6
100.03974	7.3
101.02377	2.1
118.05013	5.4
119.03403	0.8
124.11226	0.9
128.03467	2.1
141.13864	4.3
142.12285	1.0
146.04483	26.5
152.10703	0.6
169.13361	100.0
170.11761	0.5
170.13681	0.3
187.14400	3.8
198.11240	7.0
215.13910	18.3
216.12308	61.8
233.14961	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	233.1493
Annotation	Leu-Thr
Peak:m/z	Relative Intensity
55.88233	0.6
56.05023	2.3
69.07062	23.3
71.03635	1.1
71.03950	0.7
83.06105	0.9
84.04497	60.5
84.08136	1.8
85.02901	3.3
86.09696	100.0
87.10024	0.8
98.06048	2.3
102.05521	3.5
104.10033	1.2
104.10732	24.3
104.24744	0.5
114.05501	0.7
130.04982	20.8
130.05934	1.1
142.05003	0.7
151.12267	0.9
152.10759	1.3
169.13348	6.4
170.11766	5.9
185.71103	0.7
197.12837	1.8
198.11246	30.3
215.13889	35.5
216.12337	9.3
233.14966	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	233.1171
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
53.03950	4.8
55.01869	7.3
55.05508	10.3
56.96569	2.8
57.03436	2.9
57.07062	4.7
65.03947	6.7
67.05499	19.6
68.99777	2.4
69.03416	17.2
69.07074	10.1
71.04985	10.4
71.08635	6.1
71.59241	3.7
73.15458	2.0
74.02408	4.2
79.05486	27.9
81.03394	6.3
81.07045	27.1
82.02927	5.7
83.04963	3.7
85.02909	3.2
85.06537	3.8
88.07644	6.6
88.11268	11.8
89.03917	4.3
89.07150	2.8
91.05475	44.3
93.07030	32.9
95.04961	20.4
95.08624	12.6
97.02955	2.8
97.06534	14.0
99.04427	12.6
100.12448	2.7
103.05479	6.4
105.07022	60.0
107.04941	18.9
107.08574	19.3
109.06535	10.7
109.10145	6.3
111.04444	2.3
115.05465	9.9
116.06244	4.1
116.98654	4.3
117.06996	28.9
118.08653	3.9
119.04933	59.1
119.05777	4.1
119.08575	29.4
121.06490	23.6
121.09805	11.0
123.08076	2.6
123.11714	4.9
125.06005	2.8
127.05454	2.6
128.06229	8.1
128.11517	2.9
129.07002	17.3
130.07762	11.5
131.04926	8.1
131.08562	40.4
133.02861	8.2
133.06496	10.4
133.10130	18.7
134.07291	2.6
135.04480	4.0
135.08060	7.5
135.11737	4.0
137.05986	8.6
137.09589	3.1
141.06993	6.3
143.08551	12.2
144.05710	8.2
144.09338	9.9
145.06465	28.7
145.10114	87.6
146.04431	5.6
147.08040	7.8
147.11678	14.2
149.05948	5.2
149.09653	5.1
149.13245	3.0
151.03926	3.5
154.07809	9.0
155.08549	6.9
157.06468	2.6
157.10175	4.4
157.17043	3.7
158.07249	12.9
159.04485	3.2
159.08044	13.0
159.11676	54.2
161.05989	4.8
161.09569	6.4
161.13249	3.0
163.07500	2.9
163.11215	18.9
167.08492	2.4
169.10117	23.0
169.13367	13.6
171.08061	5.1
171.11725	7.0
171.27904	2.6
172.03714	2.4
172.05220	7.7
172.08820	6.2
173.05977	9.8
173.09607	79.8
173.13211	5.7
175.07530	6.2
177.05466	6.3
177.09106	5.1
177.12805	3.8
179.03413	5.2
179.08560	5.7
182.07248	5.0
185.05907	3.6
186.18536	2.9
187.07547	7.6
187.11177	85.7
187.14786	10.6
189.09106	3.3
189.12787	5.4
190.06223	3.8
191.01636	5.4
191.03380	100.0
191.10690	9.8
197.09601	15.7
197.13208	3.1
201.05347	3.3
203.07144	2.6
204.04233	3.2
205.08658	7.9
205.12201	17.9
215.07147	6.5
215.10654	72.0
215.13925	11.3
215.18007	5.6
216.12305	11.7
218.05695	3.8
233.08040	40.2
233.11673	58.9
233.15315	42.2
233.18954	16.1
233.22144	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1171
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03944	2.8
53.99017	1.1
55.01875	6.4
55.05492	4.4
58.18346	1.1
65.03911	3.1
67.05505	11.9
68.99770	1.3
69.03425	13.3
69.06777	1.0
69.07062	12.1
69.73925	5.5
69.74323	1.9
71.04978	7.2
71.08606	1.6
74.02415	1.9
75.79726	1.0
77.03928	1.3
79.05061	1.4
79.05487	18.7
81.03415	2.7
81.07057	17.4
82.02927	1.7
83.04966	2.7
85.06524	3.6
86.09721	1.1
87.00804	1.3
87.04472	1.6
88.11242	4.1
91.05479	43.0
93.06468	1.9
93.07039	30.8
95.04961	17.4
95.08611	6.9
97.06527	11.3
98.21387	2.2
99.04482	7.9
101.35463	1.1
103.05467	3.6
105.04520	1.5
105.07021	47.7
107.04265	1.5
107.04936	13.3
107.08582	11.5
109.02834	1.0
109.06516	6.8
109.10135	1.4
111.08077	1.4
113.05980	1.6
115.04000	1.5
115.05440	4.7
116.06213	2.8
117.07013	22.8
119.04937	65.3
119.08572	38.9
121.06506	23.8
121.10140	8.7
123.08047	2.1
125.05957	2.2
127.07564	1.7
128.06190	7.1
129.07013	12.0
130.07799	11.1
131.04901	3.7
131.08556	26.1
133.06485	6.7
133.10146	14.0
134.10902	9.0
135.04430	2.8
135.08020	6.5
135.11691	2.8
137.04932	1.0
137.05965	31.2
137.09581	1.6
141.04346	1.1
141.06963	6.1
142.07744	2.0
143.08527	10.6
144.05663	3.4
144.09369	8.1
145.06494	16.5
145.10117	82.8
146.04463	2.3
146.07242	1.9
146.10451	1.5
147.08017	5.1
147.11652	6.6
149.05974	2.0
149.09561	4.1
153.06970	2.3
154.07779	10.4
155.04796	1.2
155.08524	5.3
156.09375	2.2
157.06511	2.1
157.10100	2.2
158.07240	9.1
159.08064	12.5
159.11688	46.2
159.13017	2.4
161.05905	1.4
161.09563	3.8
163.03897	1.2
163.07487	1.9
163.11179	30.2
167.08586	2.0
168.15019	1.2
169.10133	19.9
169.13313	7.6
171.08006	2.5
171.11687	4.9
172.08755	5.6
173.05949	2.5
173.09613	100.0
174.06709	1.4
174.09952	1.7
175.07526	4.9
177.09100	1.8
177.12776	2.4
179.08539	6.2
181.06511	1.5
182.07245	4.4
185.09482	1.3
187.11176	70.8
187.14708	6.2
188.11513	1.7
189.09109	3.2
189.12720	4.4
191.03345	6.8
191.10648	8.2
197.09610	15.8
197.13132	1.4
205.12250	10.5
215.10669	54.5
215.13988	2.5
216.12344	4.1
233.08165	6.7
233.11703	41.7
233.15277	14.7
233.18956	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1171
Annotation	Drupanin
Peak:m/z	Relative Intensity
51.02373	1.2
51.03859	0.9
53.03941	1.1
53.70900	1.0
55.01868	3.9
55.05502	3.6
56.96565	2.6
57.03429	1.5
65.03925	1.6
66.95586	1.0
67.05498	6.4
69.03418	6.0
69.07059	10.6
71.04995	2.8
71.13891	1.4
71.14238	1.8
74.02406	1.4
79.05495	12.4
81.03408	1.9
81.07047	11.3
82.02930	1.6
83.04983	1.6
83.42396	1.0
88.11264	3.3
88.35024	1.0
91.05468	25.3
93.07033	12.8
95.04958	7.7
95.08595	3.5
97.06508	9.3
98.97572	3.1
99.04453	4.5
103.05482	2.9
105.07021	28.7
107.04953	9.0
107.08577	7.0
109.06499	6.2
115.05453	3.3
116.06242	2.2
116.15485	1.2
117.03716	1.5
117.07011	17.6
119.04933	18.0
119.08560	12.0
121.06493	13.0
121.10151	3.1
123.08069	1.7
127.07558	1.3
128.06212	3.8
129.06992	6.2
130.07805	7.6
131.04918	3.7
131.08577	12.3
133.06493	4.9
133.10133	6.5
135.04433	2.5
135.08051	3.3
135.11671	1.5
137.05969	22.0
141.07021	3.7
142.07802	1.4
143.08563	8.9
144.05693	2.0
144.09343	4.2
145.06473	11.6
145.10106	54.8
146.04460	1.9
147.08096	2.7
147.11685	6.7
149.05962	2.0
149.09634	1.5
153.06931	1.7
154.07799	3.9
155.08548	3.3
157.10120	2.9
158.07230	6.1
159.08089	7.0
159.11674	19.4
161.05968	1.5
161.09612	1.6
163.07509	1.4
163.11174	19.2
169.10120	8.7
169.13374	4.8
171.08069	1.7
171.11667	2.0
172.05159	2.0
172.08792	3.0
173.05994	3.4
173.09605	100.0
174.09964	1.7
175.07552	2.4
177.00685	1.3
179.08551	3.6
181.06500	1.2
182.07274	2.5
187.07556	1.4
187.11166	33.1
187.14713	1.4
189.09155	1.4
189.12790	3.0
191.03413	2.2
191.10667	4.5
191.55806	1.1
197.09598	9.2
200.04626	1.6
205.08629	1.6
205.12167	5.7
213.07736	2.2
215.07037	1.7
215.10645	31.5
215.14214	3.2
215.17876	1.7
216.12329	2.7
224.11932	1.1
233.08202	5.7
233.11694	31.3
233.15224	7.4
233.19029	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	233.1171
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
53.03935	2.4
55.01859	5.3
55.05501	3.7
56.96571	1.3
57.03428	1.2
65.03928	1.8
67.05498	8.7
69.03435	8.7
69.07082	10.6
70.19063	6.1
71.04988	4.7
71.08614	1.8
72.00303	1.3
73.82503	1.3
74.02434	1.4
75.73191	1.4
79.05492	15.7
81.03423	2.3
81.07050	8.7
81.35441	1.5
82.02945	2.4
83.04985	2.3
86.09692	1.9
86.67457	1.5
88.11262	4.5
91.05477	27.9
93.07038	12.3
95.04964	9.4
97.06532	19.9
99.04449	7.2
103.05445	3.0
105.07026	31.9
107.04928	8.9
107.08601	5.3
109.06531	5.7
115.05441	3.5
117.07021	17.6
119.04934	23.1
119.08579	10.4
121.06511	12.7
121.10170	2.1
123.04395	3.8
128.06227	4.7
129.07021	8.9
130.07750	7.3
131.04895	3.4
131.08595	16.3
133.06490	5.9
133.10098	6.6
135.04422	2.5
135.07994	3.2
135.11687	1.9
137.05969	41.7
141.07016	3.6
143.08583	7.1
144.05766	1.6
144.09375	3.5
144.80571	1.6
145.06479	10.3
145.10118	62.2
146.04535	2.5
147.04390	2.0
147.08025	3.5
147.11702	5.5
149.09579	1.9
154.07773	4.4
155.08556	3.2
157.10107	2.4
158.07285	6.8
159.08086	6.4
159.11691	24.2
160.05226	2.3
161.05952	5.6
161.09631	3.0
163.07530	3.1
163.11169	16.6
169.10104	11.6
169.13342	8.0
171.08009	1.4
171.11685	3.2
172.08791	4.2
173.06004	2.7
173.09613	100.0
174.09842	1.9
175.07503	1.8
176.54564	2.1
179.00185	1.6
179.08615	3.2
187.11169	45.2
187.14725	2.0
189.09120	5.8
189.12685	2.7
191.10699	5.4
192.06131	1.8
197.01241	5.2
197.09636	10.5
201.06796	2.5
205.08510	2.0
205.12279	7.0
210.07249	18.7
210.57402	2.5
215.02223	1.3
215.07060	3.8
215.10658	36.2
215.14240	3.8
216.12337	3.3
222.08298	1.5
233.08127	4.2
233.11725	39.2
233.15385	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0807
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
62.60709	0.3
65.98788	0.3
67.05505	0.3
67.29015	0.3
69.42032	2.8
74.70804	0.3
74.96629	0.3
79.05494	0.7
84.98697	0.3
91.05484	2.8
93.07051	0.5
103.05460	0.9
105.07019	1.1
107.04939	0.4
107.08623	0.4
115.05447	1.2
116.06227	2.8
117.07024	0.8
119.08595	0.5
121.06469	0.3
127.05404	0.3
128.06223	13.2
129.07004	21.7
131.04935	1.7
131.08568	4.1
141.06979	0.9
143.08559	0.5
144.05684	4.5
145.06506	2.3
145.10097	0.5
147.04359	0.4
147.08035	4.5
148.05125	0.4
155.04898	0.9
155.06046	1.2
156.05675	1.0
157.06456	3.0
157.07642	1.7
159.04411	0.5
159.08040	13.9
159.11716	0.3
161.05934	0.4
163.07533	0.9
169.06461	0.5
171.04411	1.1
172.05182	13.6
173.05983	2.0
173.13249	0.5
185.05936	1.7
187.07538	56.5
188.07831	0.9
197.13225	0.6
200.04686	17.8
201.05031	0.4
205.05003	2.0
205.08569	2.6
215.07019	100.0
216.07336	1.8
233.08076	58.5
233.15327	2.9
234.08374	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.117
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
53.03926	2.5
55.01867	6.7
55.05502	3.2
56.96556	2.0
57.03429	3.4
57.07074	1.3
65.03945	1.6
67.05508	7.6
68.99767	1.5
69.03419	9.3
69.07053	14.6
71.04982	5.1
71.08629	9.6
71.59824	2.4
71.60201	1.4
72.04503	1.7
72.08131	1.4
74.02432	7.4
74.06077	2.2
79.05489	20.6
81.03410	2.1
81.07046	6.7
82.02936	9.2
84.04475	1.6
85.02881	2.6
85.06522	1.6
86.09665	5.3
87.00802	2.6
88.10760	1.9
88.11263	24.5
91.05473	31.6
93.07049	8.6
95.04974	8.3
95.08596	2.2
97.05904	2.9
97.06523	59.1
98.97556	1.8
99.04446	5.8
100.03956	3.2
103.05450	2.6
105.07018	27.8
107.04949	10.2
107.08573	6.5
109.06490	5.1
109.10181	1.4
115.05435	5.4
117.07011	19.7
118.04975	2.8
119.04918	14.4
119.08557	11.8
121.06496	9.8
123.04398	1.5
123.08034	1.4
128.06190	2.7
129.06969	6.8
130.07787	8.0
131.04907	3.8
131.08562	16.8
133.06438	4.2
133.10118	5.0
135.04384	3.8
135.08037	5.2
135.11671	2.7
137.05966	39.6
138.06273	1.4
141.07007	6.5
143.08488	6.8
144.05682	3.0
144.09315	3.1
145.06453	11.3
145.10107	57.1
145.16098	1.3
146.04466	9.8
147.04393	5.7
147.08008	3.6
147.11691	4.6
149.05977	3.2
151.07535	3.1
154.07788	4.4
155.08522	2.6
157.10114	2.1
158.07239	5.4
159.04390	2.4
159.08031	7.8
159.11685	20.8
161.05966	3.0
161.09573	2.4
161.13193	2.0
163.07521	3.5
163.11163	22.6
169.06528	2.2
169.10178	9.8
169.13342	37.4
172.05183	4.0
172.08722	2.1
173.05934	5.3
173.09615	100.0
174.10043	1.8
175.07509	4.5
177.05399	1.4
177.09094	2.0
177.12721	1.4
179.08437	2.0
182.07234	1.3
187.07538	6.1
187.11188	31.7
187.14668	4.5
189.09055	7.8
189.12694	2.7
190.06209	1.9
191.06935	2.9
191.10657	5.0
197.09587	4.1
198.11296	2.2
205.08633	3.2
205.12233	5.9
215.07021	5.6
215.10658	31.0
215.14015	5.7
215.17914	1.4
216.12303	17.6
233.08173	10.4
233.11688	55.6
233.15134	12.3
233.18799	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	232.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01270	0.4
53.19487	0.4
53.95918	0.4
55.01866	1.2
55.17272	0.4
61.02924	2.6
66.31971	0.5
70.02938	1.9
71.01353	16.2
71.03291	0.5
71.08630	9.1
71.34071	0.5
72.04528	0.5
73.02914	5.3
74.02443	5.4
75.83262	0.4
83.01347	3.2
88.04012	0.5
88.11244	0.7
89.02390	15.4
89.11617	0.5
98.02415	5.7
99.00811	7.3
99.02738	0.7
101.02373	4.3
112.03921	0.8
113.04284	0.4
116.03472	3.3
117.01843	1.0
119.03311	0.5
119.72717	0.4
126.01866	3.9
127.00287	1.5
134.04477	1.4
135.02893	0.6
136.05138	0.5
144.02904	1.1
144.10184	1.4
162.03970	78.0
163.04240	0.6
168.10150	0.5
169.10535	0.7
173.52347	0.4
175.81630	0.4
185.41396	0.4
186.11327	0.4
186.13185	1.8
224.49960	0.5
232.11781	100.0
233.12157	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1702
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03941	0.5
55.05509	11.0
56.05033	0.3
56.96564	0.4
57.05817	0.8
61.02903	0.2
65.49249	0.2
69.03416	1.7
69.38744	1.6
69.39158	0.3
70.06615	0.4
72.08151	100.0
73.08493	0.4
79.05513	0.3
81.03407	0.8
81.07066	0.7
84.04488	0.3
85.02915	0.8
86.09704	5.6
87.00838	0.4
97.02878	0.4
98.20737	0.5
98.97585	0.2
99.04455	0.5
109.02955	0.2
109.06537	0.3
116.43236	0.2
116.98663	0.3
120.05214	0.2
127.03960	0.6
132.10199	3.5
134.99677	0.3
143.00139	0.3
146.04492	0.2
161.01260	0.4
166.73872	0.2
185.16451	1.0
207.01909	0.2
231.02892	0.2
231.06601	0.5
231.14949	0.3
231.17021	2.3
233.48485	0.2
249.02957	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1702
Annotation	H-LEU-VAL-OH
Peak:m/z	Relative Intensity
53.03945	1.8
53.57474	0.5
54.35944	0.6
54.68709	0.5
55.01865	1.0
55.05508	1.9
56.05029	4.5
56.96563	2.4
57.03434	1.0
57.07075	2.5
66.13097	0.7
67.05503	1.9
69.03427	18.4
69.07066	2.8
70.06588	1.3
71.04042	0.7
71.04367	1.1
71.04980	2.0
72.04520	0.7
72.08152	1.9
74.02428	3.0
75.65962	0.6
79.05482	1.0
81.03413	9.3
81.07053	1.2
82.02948	0.9
83.01346	0.9
83.06097	2.7
84.04500	100.0
84.08131	1.7
85.02896	15.2
85.10178	17.6
86.09705	11.2
87.00823	2.8
87.40666	0.5
91.05484	1.8
93.07019	1.5
95.01346	0.9
95.04946	0.7
95.08599	0.7
97.02892	4.8
97.06528	1.2
98.97578	1.7
99.04449	3.9
99.05609	0.7
100.02148	0.7
100.03974	1.0
102.05538	8.0
102.12813	68.1
105.01814	0.7
105.07009	0.9
107.04929	0.8
107.08610	0.8
109.02868	3.2
112.03934	0.7
115.05462	0.8
116.98595	1.3
117.07047	1.0
118.05007	1.4
119.08519	0.6
121.10145	0.9
123.84955	0.7
127.03938	4.5
128.06265	1.1
129.06953	0.9
130.04996	61.5
131.08574	0.9
133.10101	1.0
142.07814	1.0
143.08565	1.7
145.10129	0.9
147.04364	0.8
147.08006	0.8
149.06041	0.7
150.09113	1.2
157.06511	1.1
157.10135	1.8
165.62341	0.6
167.11804	1.9
168.13774	1.0
169.14160	2.5
170.07368	1.0
175.07480	0.9
177.00647	1.0
185.05879	1.1
185.09605	1.0
185.14925	1.2
185.16490	18.2
187.15213	3.9
188.04601	0.7
189.00645	0.7
189.09039	0.6
198.06682	0.6
201.05565	0.9
203.03423	0.7
213.09100	0.8
214.10759	3.6
214.14366	53.3
231.02841	1.7
231.06483	2.7
231.10133	3.2
231.13733	1.8
231.17033	25.6
232.17143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03466	0.8
55.01880	0.9
56.05032	1.4
57.97821	0.5
58.06594	1.6
65.03950	0.6
67.05516	1.2
69.07066	37.9
69.73665	3.7
70.06588	2.1
72.04514	4.9
72.08154	2.5
73.02911	1.7
73.11372	0.5
74.02440	26.6
80.05022	0.5
82.02937	10.6
82.06557	1.2
82.50385	0.7
83.01348	1.6
84.04498	4.3
84.08144	17.7
85.02911	1.1
85.08934	3.3
86.06057	1.1
86.09704	100.0
89.48741	0.6
96.04491	5.3
96.08110	1.7
98.21433	0.7
99.05577	13.3
100.03990	6.1
104.10751	1.5
105.07015	0.9
107.08585	3.0
110.06037	2.8
110.09688	0.8
111.05555	1.3
112.07590	0.8
114.09190	0.6
117.06629	2.6
118.05009	10.4
122.09659	7.4
124.07600	2.0
128.03453	3.8
137.01266	0.5
138.09195	0.5
138.13290	0.6
139.12299	4.0
140.10710	2.8
142.08607	1.1
145.06081	7.2
146.04482	26.0
150.09137	9.9
163.07091	2.9
167.11801	35.0
168.10220	2.5
175.55370	0.7
185.12854	8.9
186.11229	2.0
196.09702	13.1
213.12334	19.0
214.10733	32.6
231.13394	32.7
232.11790	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35172	0.5
53.03945	1.3
55.01867	1.7
55.05509	6.0
56.05022	1.5
56.96556	2.2
56.99408	0.5
57.03438	0.9
67.05508	1.2
68.99759	0.7
69.03426	6.8
69.07064	4.9
70.06586	3.0
70.78324	1.3
71.04979	1.8
72.04517	7.4
72.08154	1.6
73.02922	0.8
74.02438	31.8
79.05491	4.3
80.05013	6.1
81.03416	2.0
81.07056	14.6
82.02934	8.0
82.06528	0.5
83.01334	0.7
83.03721	1.1
83.04971	2.3
83.08605	1.7
84.04488	3.0
84.08138	22.4
85.02908	2.7
85.06541	1.7
86.09700	100.0
87.00826	5.2
87.10033	0.7
91.05454	1.0
93.07014	0.7
94.06610	0.5
95.08614	0.8
96.08122	2.4
97.02901	1.0
98.97576	5.3
99.04445	0.9
99.05577	0.8
99.08113	1.0
100.03970	4.2
105.07053	1.5
107.07366	1.1
107.08591	1.5
108.04448	1.0
109.02917	0.7
109.06503	6.1
110.62504	0.5
116.98612	3.9
118.05016	8.3
122.08755	0.7
122.09660	15.9
124.07587	15.9
125.07156	0.6
127.03923	1.5
127.07549	6.7
130.04999	0.6
133.06500	0.9
134.99646	1.6
139.12311	5.0
140.10699	0.9
143.00146	0.6
145.08655	2.6
146.04465	6.2
149.10684	0.7
150.09131	15.3
157.10138	0.6
158.99706	0.8
161.01222	1.7
167.11790	25.8
168.10231	1.0
177.00745	1.4
185.12863	2.6
186.11240	0.7
189.00732	0.7
196.09689	3.9
211.26010	0.6
213.12315	7.9
214.10727	40.4
231.06575	0.7
231.13377	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	231.0652
Annotation	Visnagin
Peak:m/z	Relative Intensity
56.96558	0.3
69.03429	1.0
69.69913	0.5
69.70336	0.7
81.03405	0.5
81.07027	0.2
85.02894	0.4
91.05485	0.4
97.02910	0.2
98.97578	0.2
99.04428	0.2
107.83578	0.2
109.02853	0.2
111.53764	0.2
119.08549	0.3
123.67079	0.2
127.03920	0.4
129.06984	0.3
130.08952	0.2
131.08580	0.2
134.99660	0.2
141.07002	0.3
145.02835	1.7
152.94757	0.2
156.02048	0.3
157.06575	0.2
157.10030	0.2
159.04459	0.3
159.11702	0.2
160.05127	0.3
170.07228	0.4
173.02365	2.1
174.03113	6.7
175.07541	0.3
185.03081	0.2
185.05974	0.3
187.03874	3.4
188.04628	0.6
198.03137	0.5
201.01840	2.5
203.07047	0.6
213.05469	0.7
216.04160	100.0
217.04474	2.2
231.06503	55.0
232.06856	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66189	0.7
55.01858	1.0
56.05022	1.3
64.85233	0.6
66.21071	0.7
69.06718	1.2
69.07065	15.4
70.06590	4.4
70.56338	1.6
70.56693	1.0
72.04515	4.5
72.08169	1.2
73.02913	0.7
74.02439	22.6
76.76499	0.7
77.68961	0.6
79.05495	0.9
81.40617	0.7
82.02946	6.3
82.06571	1.7
83.01364	0.6
84.04519	2.2
84.08139	9.0
85.02909	0.8
85.08925	4.5
86.09700	100.0
87.10049	0.7
94.06530	0.7
95.08575	0.9
96.08138	2.1
99.05579	3.3
99.81843	0.6
100.03999	3.0
100.07456	0.7
105.07021	1.2
107.07404	1.5
107.08601	3.5
110.06094	0.7
112.26070	0.6
116.73976	0.8
118.05005	6.1
120.00814	0.7
122.09659	10.5
124.07600	2.3
139.12289	4.0
140.10710	1.7
145.06100	1.9
146.04445	4.9
150.09137	10.9
167.11789	24.2
185.12880	1.3
196.09668	4.6
213.12318	6.3
214.10727	30.3
226.32162	0.7
231.13393	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	231.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.9
55.01871	3.6
55.05509	1.2
56.96567	0.6
57.03436	4.0
61.02932	1.9
67.05505	1.5
68.99783	3.1
69.03429	100.0
69.07064	1.5
70.39351	2.2
71.01350	0.5
71.04993	11.6
72.08154	1.8
73.10757	0.5
74.02448	0.8
79.05483	0.9
81.03418	46.6
81.07061	1.6
82.44581	0.5
83.01347	1.9
83.04974	1.4
84.08137	0.9
85.02904	35.6
86.09702	4.3
87.00829	17.9
87.01337	1.1
89.52657	0.4
91.05493	1.7
93.07034	1.6
95.08632	0.6
97.02893	23.1
97.06536	0.9
98.97606	1.6
99.04457	22.8
105.01884	3.1
105.07044	2.1
107.08599	1.1
109.02879	18.9
109.10128	0.6
111.00875	0.6
115.03940	0.6
115.05454	0.6
116.98611	1.0
117.07076	0.8
119.08590	1.5
121.01725	0.6
125.09649	1.0
127.03914	23.4
128.06236	0.7
129.07033	1.4
131.08563	0.7
133.10104	0.9
141.07051	0.5
142.07780	1.1
143.08592	1.8
145.05026	2.5
145.06548	0.6
145.10152	1.0
149.01265	0.6
150.09106	0.5
153.01965	0.9
157.06517	0.6
157.10181	1.9
161.09662	0.7
167.08589	0.7
167.11856	1.4
170.07336	0.6
171.02930	0.5
171.08109	1.2
171.11734	0.6
175.07573	1.5
177.00713	0.6
185.04509	0.6
185.09679	0.9
185.13268	0.7
203.07108	1.0
213.03900	2.8
213.09222	1.0
213.12759	1.4
214.10861	0.8
231.02879	1.1
231.05019	3.7
231.06708	1.7
231.10251	2.2
231.13721	3.1
231.17545	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.6
55.01861	4.4
55.05262	4.5
55.05509	73.4
56.96563	14.0
57.03421	5.5
57.06816	4.6
57.07071	49.3
57.27640	2.6
58.07376	2.9
63.75160	3.0
67.05504	27.1
69.03425	29.3
69.07067	100.0
70.06557	3.7
70.91225	5.4
70.91560	6.6
71.04970	8.1
71.08630	30.1
72.04519	3.5
72.08131	6.9
73.02905	2.7
73.06548	4.1
79.05494	23.8
81.03421	15.0
81.07052	44.7
83.04967	9.9
83.08150	3.6
83.08620	59.3
84.08125	5.6
85.02916	8.8
85.06531	7.4
85.10165	9.0
86.06059	16.8
86.09694	3.7
87.00834	3.6
87.04440	4.8
91.05439	5.3
93.07044	34.2
95.08607	49.3
97.02874	5.2
97.06516	27.7
97.10167	55.0
98.06012	7.9
98.97569	17.5
99.04458	7.2
99.08102	7.1
100.07605	6.8
105.07005	3.7
107.04943	3.2
107.08596	25.1
109.10147	17.7
111.08076	21.8
111.11713	18.1
114.09162	9.2
115.07522	3.8
116.98649	15.6
121.10136	41.9
123.11710	5.8
125.09591	15.5
127.03889	6.4
129.09108	4.6
130.12190	3.1
131.00093	3.6
131.70941	2.8
134.99638	11.0
135.11682	32.6
137.13225	3.9
139.11169	15.8
141.07013	3.1
143.08617	3.2
145.10150	2.7
149.01208	4.0
153.12834	3.7
155.06079	2.7
157.10234	4.2
158.99658	4.7
163.03998	3.5
165.00586	3.7
170.07262	10.0
173.01157	5.9
174.18524	3.4
177.00636	10.2
177.16371	82.5
184.09761	2.9
191.02246	6.8
195.17439	34.8
197.32645	2.8
198.06946	3.3
212.20097	24.5
213.18471	3.2
225.04416	4.9
230.10226	7.2
230.21170	10.0
230.24394	4.7
231.10233	17.2
244.99608	6.7
254.06035	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	231.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28903	0.6
52.16378	0.7
53.03945	10.8
55.01864	2.6
55.05513	1.0
56.96567	1.5
57.03426	2.7
61.02921	1.3
67.05507	1.4
68.99789	2.0
69.03426	100.0
69.07076	2.2
69.52044	5.0
71.01330	0.7
71.04991	8.5
79.05518	1.2
80.08954	0.6
81.03413	43.8
81.07050	1.5
83.01351	1.6
83.04980	0.9
85.02901	34.8
86.09689	1.1
87.00825	19.5
87.01345	1.3
87.04463	0.7
91.05484	1.5
93.07055	1.5
95.08596	1.4
95.60659	0.6
96.65110	0.6
97.02885	41.9
98.97583	0.7
99.04446	22.3
105.01851	6.2
105.07043	1.5
107.08599	1.1
109.02877	17.6
111.00815	1.0
115.05412	1.1
117.07032	1.5
119.08612	1.6
121.01685	1.9
127.03909	28.5
128.06213	0.7
131.08603	1.2
133.10156	1.4
134.99690	1.3
141.07005	1.6
142.07753	1.2
143.08612	1.0
145.04973	2.7
145.10175	1.0
146.99715	0.9
149.01257	2.2
157.10193	1.7
162.96858	1.1
170.07246	3.2
177.00775	1.1
185.13249	1.3
207.01979	0.7
213.04012	2.8
213.12587	0.8
213.16449	1.2
230.24763	1.2
231.04727	4.0
231.10059	6.9
231.13878	2.5
231.17580	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	13.7
55.01876	2.6
55.05510	3.5
56.96553	0.8
57.03429	3.6
59.05015	0.9
61.02906	1.8
67.05499	1.7
67.13757	0.6
68.99785	3.3
69.03430	100.0
69.07065	2.7
70.06593	1.9
71.01362	1.1
71.04994	11.2
71.59399	1.1
71.71424	0.6
72.08150	3.0
74.02457	1.4
78.13406	0.6
79.05498	2.3
81.03419	52.9
81.07075	1.1
82.02940	1.4
83.01350	1.2
83.05003	1.2
83.08651	0.7
84.04549	1.3
84.08150	1.3
85.02907	41.3
85.08964	0.6
86.09710	7.8
87.00835	18.5
87.04503	1.0
91.05492	3.4
93.07060	1.4
95.04946	1.9
95.08607	1.4
97.02280	1.4
97.02892	22.4
98.97604	1.1
99.04459	27.6
103.05504	0.9
105.01875	4.3
105.07054	2.4
107.04980	3.1
107.08609	2.2
109.02134	1.0
109.02883	16.4
115.05458	5.3
116.98613	1.0
117.07014	2.0
119.08644	1.3
120.08109	1.4
121.06545	1.0
121.10105	1.2
122.09659	1.0
127.03925	27.7
128.06245	3.3
129.07040	2.3
131.04893	1.1
131.08586	2.4
132.05762	1.0
133.06525	1.9
133.10161	1.0
135.04462	1.8
141.07018	1.5
142.07796	1.9
143.04933	8.1
143.08568	3.6
145.04956	3.1
145.06526	0.8
145.10118	1.2
147.04449	1.5
150.09183	0.8
157.06502	1.7
157.10156	3.5
159.06709	0.7
159.08080	2.0
159.11681	0.8
161.05962	9.1
161.26906	0.7
162.83801	0.8
167.08597	2.3
167.11821	1.9
170.07285	1.3
171.08067	2.3
173.21899	0.8
175.07530	1.5
176.04753	1.2
177.05521	1.6
185.09610	5.7
185.13297	1.5
186.09218	0.9
189.05475	34.6
189.09135	1.6
195.08115	1.4
203.10753	1.6
213.03883	4.0
213.09117	4.6
213.12514	1.7
213.16441	1.5
214.10814	2.7
231.02870	1.7
231.05025	4.0
231.06854	1.6
231.10127	12.4
231.13512	4.5
231.17456	1.3
253.99574	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.7
55.01878	0.8
55.05504	5.2
56.05035	20.6
56.96565	16.2
56.96841	1.0
57.03448	1.2
57.07087	0.7
58.06605	1.8
65.03950	0.8
67.05505	9.2
69.03429	12.2
69.07066	5.9
70.06590	5.2
71.04992	2.6
71.06903	0.7
71.59021	0.7
72.04511	1.0
72.08154	1.5
73.02908	0.8
74.97611	0.8
79.05492	4.5
80.05023	0.6
81.03418	5.3
81.07057	13.2
81.07521	0.9
82.06589	0.7
83.01318	0.6
83.04994	2.2
83.08618	2.4
84.04527	1.4
84.08144	4.5
84.95995	0.8
85.02905	4.4
85.06549	0.8
86.06091	1.6
86.09708	2.4
87.00841	2.0
91.05476	16.0
92.05817	0.9
93.07047	3.5
95.04990	1.2
95.08643	2.7
96.08160	0.7
97.02887	3.3
97.06541	1.3
97.10183	0.9
98.06050	1.5
98.97572	2.6
99.04457	2.4
99.05549	0.7
100.03950	0.7
100.07627	0.8
105.07044	3.9
107.08575	2.6
109.02876	1.9
109.06541	0.8
109.10146	3.8
110.09700	0.6
111.04471	1.0
111.08108	0.5
113.06020	0.6
116.98631	3.0
117.07049	0.7
119.04941	16.9
119.08577	1.2
120.05312	1.1
121.02832	0.7
121.10159	1.8
122.09636	0.7
123.08057	0.7
123.11719	3.1
124.99088	0.7
125.09625	0.6
127.03937	2.3
128.06236	0.7
128.98625	0.7
131.08492	0.6
132.08098	0.7
133.10120	3.5
134.99661	2.8
140.10699	1.8
140.14322	1.0
143.00172	3.6
146.99718	0.8
147.04407	67.3
148.04747	4.7
149.01210	0.7
150.12798	1.2
151.11197	2.4
157.01729	0.6
158.08406	0.9
158.99628	0.7
159.03331	0.7
161.01221	8.9
168.13837	86.3
169.01759	0.9
169.14149	0.8
170.99635	2.2
173.01318	0.6
174.12723	0.6
177.00708	1.3
179.02293	1.6
185.01187	2.3
186.14885	100.0
187.02798	2.9
187.13498	0.7
187.15254	1.4
189.00691	4.2
189.12808	1.1
198.03645	1.0
201.05292	0.5
203.02235	2.9
205.00116	0.8
205.03818	0.6
207.01726	1.1
207.03983	1.0
212.09167	0.9
212.12737	0.6
213.00681	1.9
213.09225	0.5
230.05905	0.6
230.08119	1.2
230.10156	1.0
230.13780	1.7
230.15602	1.1
230.17387	3.4
231.01724	10.7
231.06578	1.3
231.10187	1.1
231.13843	0.7
249.02817	16.3
250.03110	1.5
254.03293	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42022	0.3
52.16724	0.3
53.03929	0.6
54.03453	0.3
55.01866	0.8
55.05508	2.0
56.05020	0.7
56.96569	1.6
57.03433	0.7
57.07066	2.9
58.06572	0.3
59.04996	2.7
60.04523	0.3
60.72455	0.3
65.03913	0.6
67.00038	0.3
67.05498	4.3
68.05013	0.5
68.06276	0.6
69.03423	4.9
69.05807	0.7
69.07075	1.4
69.46276	0.3
70.06596	2.2
70.77232	0.7
71.01365	0.4
71.04993	0.8
72.04514	2.0
72.08144	0.7
73.02911	4.1
74.02441	1.3
79.05485	3.5
81.03429	1.8
81.07050	2.8
82.02940	0.5
82.06574	1.4
82.07822	0.6
83.01325	1.7
83.04979	1.3
83.08633	0.6
84.04507	1.3
84.08137	100.0
85.02898	2.1
85.04833	0.5
85.08456	1.2
86.06059	1.1
86.09702	4.8
87.00805	0.6
91.05475	2.4
92.05006	0.3
93.07035	2.1
94.06567	0.5
95.04961	2.6
95.08604	2.2
97.02877	1.1
98.06046	0.9
98.97565	0.7
99.04469	0.9
99.05557	0.3
100.03982	1.4
100.07552	0.3
100.11251	0.9
101.02388	4.1
101.11589	0.7
105.07001	0.9
106.06517	0.4
107.04932	1.4
107.08607	0.9
108.08111	0.3
109.02906	0.5
109.06531	0.6
110.06051	1.3
110.07251	0.6
111.04430	0.7
112.07624	0.7
116.07026	0.4
116.98607	0.8
118.05009	1.1
119.03391	0.8
119.04926	0.4
120.05734	0.4
121.06548	0.3
121.10114	0.6
122.09643	0.6
123.08060	0.4
124.07607	0.3
125.05969	0.3
127.03974	0.6
127.53413	0.3
130.05025	0.4
131.05305	0.3
131.08530	0.4
132.05426	0.3
134.99696	0.5
136.07573	0.5
137.06001	0.4
137.08337	0.4
137.09598	0.3
139.07584	0.4
139.11102	0.4
142.05034	0.5
145.06235	0.4
146.04463	4.7
147.04440	1.1
148.11243	0.4
149.09650	0.5
150.09100	0.3
152.07072	0.4
153.08046	0.3
154.08600	1.5
161.01292	0.5
163.03929	0.5
163.07253	0.3
167.10645	0.5
184.09723	1.4
184.11481	0.4
184.13261	1.7
196.09712	0.4
197.62236	0.3
212.09261	1.1
212.12857	0.6
213.09291	0.3
213.13109	1.0
214.10745	0.8
230.08092	0.5
230.10188	3.1
230.13641	2.1
230.15704	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	18.3
56.96559	2.4
57.03427	6.8
57.07062	5.9
58.06589	4.1
59.04980	3.6
60.08160	13.9
61.08482	4.6
67.05504	52.3
69.03406	1.5
69.07061	13.9
70.66383	4.2
71.04991	8.6
71.08607	3.7
77.47886	1.5
79.05486	14.3
81.07057	55.9
83.04955	4.3
83.08623	13.3
85.06533	10.9
86.89957	1.7
91.05485	19.3
91.95428	1.3
93.07038	15.1
95.04964	2.0
95.08605	61.1
97.06532	13.8
97.10161	4.8
99.08099	7.0
105.07040	18.8
106.06499	1.5
107.08580	5.2
109.06572	2.1
109.10160	30.7
111.08092	3.0
113.09661	2.2
115.07548	1.8
117.07027	11.6
119.08584	25.5
119.09430	1.5
121.10147	6.0
123.08055	2.8
123.11668	1.5
123.42017	1.5
131.08562	16.1
133.10123	18.5
135.11713	9.4
137.09587	3.8
137.13283	9.9
138.20435	1.2
145.10110	7.3
155.10706	2.0
159.11668	1.9
161.13260	44.0
161.14603	2.7
173.11717	5.6
173.13164	1.9
179.14305	25.3
197.15346	4.3
213.91940	1.5
229.12196	2.6
229.14301	7.0
229.19514	5.2
229.27197	100.0
230.24820	4.1
247.08467	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1546
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
54.93224	0.4
56.05022	0.6
58.06598	5.8
59.07367	1.2
60.08164	6.8
68.05011	1.2
69.62232	2.8
70.06591	35.6
72.08143	3.4
78.67058	0.4
82.06582	2.0
83.04977	0.8
83.06089	0.4
84.04507	4.2
84.08141	8.9
85.02849	0.4
89.31391	0.4
96.08108	1.5
98.06027	1.2
99.05552	0.4
99.09225	0.4
100.07603	0.7
101.07191	0.5
103.90032	0.4
111.01986	0.4
114.05505	3.9
114.09134	1.6
116.07069	0.8
118.08660	1.0
118.82428	0.4
119.01897	2.0
124.07603	4.0
126.09119	0.6
129.06596	0.6
130.04958	1.7
137.02969	0.8
138.09062	0.5
142.08626	28.7
165.10252	0.5
166.08614	1.1
170.08148	1.4
176.02232	1.5
183.11279	2.7
184.09813	0.5
187.00851	0.7
211.10759	0.9
212.09183	0.5
229.03203	1.5
229.11786	4.6
229.15463	100.0
230.15825	1.7
231.75711	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
51.40829	1.2
55.05510	11.1
57.03438	19.5
57.07077	1.6
59.04981	4.3
65.03932	1.3
67.05507	100.0
69.07052	3.3
71.04984	4.5
79.05486	1.6
81.03383	1.3
81.07053	14.7
83.08622	6.3
85.06540	4.0
85.33784	1.2
91.05469	6.7
93.07029	4.4
95.08586	5.3
98.21523	2.4
102.05505	2.0
107.08627	2.2
109.10157	90.4
111.08074	3.2
112.16715	1.1
112.37198	1.2
119.08570	7.4
137.09618	5.4
155.10677	3.5
173.11755	23.7
189.44789	1.2
229.14240	23.7
229.23605	1.3
229.27225	2.6
229.58672	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
55.05503	10.4
57.03437	16.5
57.07071	1.7
58.99851	1.4
59.04995	5.4
65.03912	1.3
67.01398	1.1
67.05502	100.0
68.05822	1.2
69.03436	2.1
69.07065	4.3
71.04984	6.3
79.05484	6.5
81.07053	20.5
81.26350	1.2
83.08633	5.9
85.06529	4.0
91.05476	9.8
93.07032	11.4
95.04944	1.1
95.08607	15.6
96.04481	1.8
98.35387	1.0
102.05556	1.9
103.02445	8.2
105.07049	2.6
107.08596	4.6
109.10155	74.9
111.08066	3.2
113.96418	1.4
115.24830	1.2
116.96367	2.4
117.07035	3.1
119.08582	10.0
121.03474	7.6
121.10164	3.8
131.08536	1.8
133.03458	17.0
133.10069	2.1
134.03577	2.3
134.97424	2.0
135.11723	2.5
137.09637	7.8
138.05534	1.3
145.10083	2.1
151.04515	14.9
152.04616	1.4
155.10689	3.6
156.05043	1.5
159.11607	1.7
164.98482	5.3
166.05055	1.5
173.11749	18.7
173.13170	2.6
174.06056	2.4
183.07742	1.5
188.00079	2.5
188.62483	1.4
206.13271	1.2
214.27216	1.5
215.13971	1.4
229.08273	1.4
229.14230	18.0
229.19516	3.2
229.23538	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	229.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
54.03466	2.0
55.01870	2.1
55.05256	0.5
55.05510	6.3
56.05037	3.9
56.96569	3.4
57.03427	1.0
57.07062	1.3
58.06601	6.1
58.99885	0.4
59.07380	1.3
60.04495	0.6
60.08161	7.0
65.03642	0.5
65.03946	4.3
67.04247	12.3
67.05166	0.8
67.05503	11.7
68.04587	1.4
68.05027	3.9
69.03437	2.2
69.07069	1.3
69.24850	1.6
69.25269	3.7
70.06591	45.4
71.01342	0.4
71.04990	1.0
71.06941	0.5
72.04514	4.8
72.08155	12.7
73.02924	0.9
74.02442	14.3
76.02855	0.6
78.81836	0.4
79.05499	1.5
80.05017	6.4
81.03419	4.9
81.04523	0.5
81.05351	0.8
81.05798	0.7
81.07076	0.6
82.02950	5.0
82.03757	1.5
82.06579	89.1
83.03730	0.4
83.04983	11.4
83.06102	6.1
83.06906	9.4
83.07359	1.6
84.04504	44.8
84.06448	0.9
84.07299	1.3
84.08141	44.4
84.96022	0.6
85.02905	3.5
85.04836	0.8
85.06535	1.1
85.08484	0.9
86.06072	1.1
86.09707	2.6
88.03988	0.6
91.05467	1.5
92.04986	0.7
93.04514	0.6
93.05776	3.4
93.07053	3.1
94.02910	0.5
94.06034	3.0
94.06607	6.3
95.04959	1.0
95.06091	2.0
95.08617	0.5
96.04475	2.9
96.08137	3.3
97.02908	0.7
97.06552	0.9
97.07628	0.5
98.06048	5.4
98.06657	0.7
98.21474	1.2
98.97548	0.6
99.04516	0.6
99.05569	4.5
99.09212	1.4
100.03984	2.7
100.07617	19.5
101.00849	2.5
101.07125	0.5
102.05539	1.8
103.05480	0.9
105.07034	1.7
106.06562	1.6
108.04481	0.5
108.06897	0.5
108.08111	2.8
110.02372	0.5
110.06031	2.5
110.09672	2.2
111.05568	1.2
111.06364	1.0
111.97492	0.6
112.07633	1.2
112.62359	0.5
113.07145	0.8
114.05524	4.4
114.06654	0.9
114.09173	2.9
116.07102	2.2
116.98637	1.4
118.03558	0.8
118.05012	3.1
118.06552	1.6
118.08659	3.6
119.01922	17.3
119.06085	3.6
119.07372	1.1
120.02017	1.3
120.04472	1.2
120.08108	7.3
121.01688	2.1
121.06529	0.5
121.07651	1.1
122.06062	3.0
122.09690	1.0
123.05552	0.5
124.07587	4.2
126.05569	0.8
126.09170	0.5
128.03416	1.2
128.07059	1.5
129.06596	7.4
129.10252	1.6
130.04999	8.9
130.06511	0.8
132.06847	0.8
132.08195	0.7
133.03491	1.6
134.01266	0.6
134.05998	0.5
134.99657	0.7
135.09192	2.0
136.07533	2.0
137.02966	6.5
137.07913	1.7
137.10719	5.1
138.05501	1.6
138.09102	4.2
139.02690	0.7
140.07040	3.1
142.03569	0.6
142.08630	31.7
144.99826	1.5
145.06081	4.0
146.04514	2.1
147.09207	2.4
148.03975	0.6
148.05031	0.7
148.07578	10.0
149.02957	0.5
149.08011	0.5
150.09169	0.9
152.02217	0.6
152.07080	1.7
153.10266	1.7
155.11852	1.0
156.06567	0.5
157.06120	2.1
158.01195	0.8
158.04791	0.7
159.06239	0.6
160.04662	0.9
161.02959	0.6
163.05048	0.6
164.05840	6.0
164.07083	1.0
165.06514	0.7
165.10245	14.1
166.05054	1.9
166.08627	7.2
166.09904	0.6
168.99825	1.3
170.08078	2.8
174.99211	0.7
175.02670	0.6
176.02202	9.2
176.07050	0.6
177.02487	0.6
177.05501	0.8
180.10239	1.8
181.09764	1.4
182.08148	1.4
183.08786	0.7
183.11301	17.2
184.04585	1.7
184.06047	0.6
184.09708	5.8
184.11182	0.8
187.00880	3.4
193.09749	3.4
194.03288	2.5
194.08144	5.5
197.08980	0.5
199.04213	0.6
199.10768	2.9
202.05656	0.9
205.02019	1.7
205.06879	0.8
211.07568	1.4
211.10796	20.3
212.06110	0.8
212.09203	17.6
215.00368	2.7
229.03366	1.0
229.06789	1.0
229.11902	56.4
229.15540	100.0
230.10341	1.8
230.13901	1.0
230.15851	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1183
Annotation	(S)-ATPA
Peak:m/z	Relative Intensity
54.03462	0.7
55.01863	0.8
56.05025	1.8
57.07059	1.4
65.03944	3.0
67.05502	26.0
69.15282	0.8
69.79387	0.6
70.06586	2.7
71.35127	1.1
72.04513	4.4
74.02438	32.9
79.01573	0.6
80.05010	1.3
82.02937	6.9
82.06570	7.6
83.03713	3.4
83.07357	15.3
84.04489	0.7
84.08138	100.0
85.02911	2.5
85.96265	0.7
86.25119	0.8
91.05508	1.1
92.21548	0.6
93.07043	2.6
94.06552	4.1
95.04974	1.1
96.04480	0.6
96.08125	1.1
99.05579	0.7
100.03987	4.6
105.06996	1.0
108.04491	1.7
110.09685	1.2
118.05016	9.7
118.06545	0.6
120.08096	10.8
120.08929	1.1
121.06467	0.7
122.06030	1.5
137.10724	3.3
138.09143	2.0
138.84702	0.6
146.04469	5.2
147.09280	0.7
148.07564	23.2
165.10228	21.7
181.69838	0.7
183.11304	2.4
184.09703	1.1
194.08069	3.0
211.10770	5.8
212.09163	29.5
229.11795	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1433
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
51.72811	3.0
55.01854	3.9
55.05513	6.0
56.96557	14.7
57.03435	9.1
57.07072	6.7
66.55358	3.0
67.05505	34.8
68.02923	3.6
69.07056	10.6
69.33997	37.0
70.06596	18.9
71.06944	3.8
75.28812	3.1
79.05483	11.1
81.07054	25.7
83.08588	4.3
84.08126	17.4
85.02882	3.5
86.06066	5.2
86.09711	4.3
88.07626	9.9
89.07957	5.2
91.05478	21.8
93.07043	8.7
95.04939	6.5
95.08580	8.3
97.06509	5.8
98.20721	4.2
98.97518	4.8
102.09172	9.0
105.07008	14.2
107.04945	5.8
107.08606	4.7
109.10143	19.7
117.07027	7.4
119.01936	9.1
119.04910	3.6
119.08583	14.1
121.10174	6.4
123.11645	6.2
129.06979	8.2
131.08583	9.3
133.10133	8.3
135.04376	5.0
142.07732	4.2
143.01907	3.5
145.06454	4.7
145.10135	13.0
147.11665	28.9
149.13326	4.6
154.07700	4.0
155.08548	6.4
157.10141	9.7
159.07988	3.7
159.11710	12.0
165.12756	10.5
169.06444	3.9
169.10175	3.8
173.09590	6.0
173.11768	8.5
173.13188	8.4
175.11205	4.1
183.07721	3.9
183.11809	3.8
187.11174	3.5
187.14851	4.2
193.12186	3.5
197.05946	4.3
198.95552	3.2
201.09029	4.7
205.98729	5.5
212.09308	4.1
225.04396	4.3
229.08563	22.4
229.12219	15.9
229.14345	18.3
229.15987	12.7
229.19624	27.8
229.23529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03462	0.6
56.05030	0.7
57.07061	2.1
65.03934	0.6
67.05496	4.6
68.54092	0.4
70.06595	1.0
71.59548	0.7
72.04518	2.4
73.02903	0.4
74.02437	16.9
77.37291	0.4
80.05015	0.5
82.02946	3.0
82.06570	1.5
83.03716	1.0
83.07357	2.7
84.04492	0.6
84.08138	100.0
85.08498	0.5
86.09708	0.6
92.52131	0.4
93.07034	1.3
94.06579	1.2
99.05557	0.8
100.03974	2.5
112.07590	0.4
118.05016	3.9
120.08097	8.6
122.06053	1.6
132.08099	1.6
137.10809	0.6
138.09154	0.4
145.06142	0.8
146.04489	2.4
148.07565	7.4
158.66403	0.4
165.10223	4.1
166.08694	0.6
183.11183	0.7
184.09743	0.6
194.08098	0.6
211.10808	1.8
212.09142	6.0
229.11821	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1183
Annotation	Pro-Hyp zwitterion
Peak:m/z	Relative Intensity
57.07059	4.4
67.05509	2.2
67.45388	1.1
70.40395	4.8
72.04549	1.2
73.74759	1.4
74.02441	7.6
82.02929	1.6
83.04957	5.7
84.04502	16.3
84.08139	100.0
98.21456	1.6
100.03941	3.0
101.07101	1.4
102.05528	1.3
103.17874	1.1
111.57835	1.4
118.04997	1.6
128.03397	3.4
130.05003	15.5
146.04469	2.1
147.07660	1.6
165.34450	1.4
203.49594	1.4
212.09084	2.6
231.44392	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10743	0.3
54.03466	0.5
56.05024	0.6
57.07076	3.5
58.11452	0.3
67.05500	3.0
68.05028	0.4
69.07060	0.7
70.06582	1.0
70.51338	0.8
70.51691	0.6
72.04519	1.8
74.02438	8.1
82.02940	1.0
82.06561	0.4
83.36350	0.3
84.08138	100.0
85.08485	0.6
86.09692	0.6
90.70318	0.4
96.08113	0.6
99.05584	0.9
100.03975	2.1
110.09721	0.4
113.02924	0.3
118.05030	2.0
128.03467	2.3
130.05003	0.3
138.09148	0.3
141.10210	0.4
144.56303	0.3
146.04457	2.3
148.07578	0.4
166.08641	0.6
168.40434	0.3
184.09706	1.2
212.09177	2.0
229.11905	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27666	0.8
53.03922	1.1
54.03471	1.1
54.63758	0.8
55.01845	2.3
55.05496	2.6
56.05024	2.3
56.92500	0.8
56.96557	46.2
57.03424	1.4
57.07061	3.3
57.09462	0.7
61.02911	1.1
65.03885	1.0
67.04255	1.0
67.05497	4.8
67.34254	0.7
68.05026	1.1
69.03417	2.4
69.07053	6.1
69.77992	0.8
69.80959	0.8
70.02963	1.4
70.06584	31.6
70.98112	8.5
71.04984	1.1
71.49916	1.1
72.04496	2.3
72.08148	2.5
72.93781	1.0
73.02887	1.3
74.02429	5.1
74.97610	4.5
74.97993	0.7
75.84548	0.9
79.05475	1.2
81.03413	2.4
82.02926	2.3
82.06567	7.1
83.04953	3.3
83.06902	1.8
84.04495	4.6
84.08135	54.0
84.96022	8.0
85.02885	2.4
85.04011	1.7
86.09699	21.2
88.03966	1.8
88.99147	7.0
91.05456	1.3
92.98640	1.6
95.04965	2.2
95.08600	1.0
96.04475	2.7
96.08104	1.4
97.02863	2.9
97.06508	1.7
98.02380	1.5
98.06055	1.3
98.97578	3.3
99.00828	1.0
99.04430	1.0
99.05540	2.8
100.03972	2.3
100.07591	1.1
102.05540	1.4
102.09186	5.1
102.97039	2.1
106.98055	7.5
107.00159	3.5
109.06537	0.9
109.10108	1.2
110.02386	4.1
110.06045	0.9
110.09657	0.9
111.06251	0.8
113.06019	0.9
113.10762	2.8
114.05489	0.8
115.05068	1.2
116.07082	16.6
116.98602	5.4
118.04993	1.2
120.08118	1.0
120.97991	1.1
121.10204	0.9
124.03902	1.7
124.99107	36.7
128.03416	2.1
128.98633	4.6
129.10204	1.0
134.99634	4.8
135.50998	0.9
136.99023	1.0
138.07935	0.9
138.09094	1.9
141.10213	4.9
142.08609	1.5
143.00146	55.8
145.01700	2.9
146.04469	3.1
146.97302	0.9
146.99586	4.6
150.96849	0.9
153.00665	1.6
155.00142	12.5
155.11768	1.9
156.10167	1.7
157.01704	3.6
161.01204	61.1
162.01553	1.1
163.03842	1.5
163.97681	1.2
165.10242	1.3
166.01772	1.6
166.08609	3.2
167.06929	2.0
169.01729	4.5
173.01202	44.7
175.02806	7.2
179.02228	7.3
183.11351	2.2
184.02866	1.3
184.09694	1.2
187.02765	100.0
191.02248	10.9
194.05038	0.8
196.02818	2.5
201.12384	3.4
205.03821	64.6
205.98740	2.9
210.04391	4.6
211.07550	1.3
211.10722	2.1
212.09196	4.0
223.04964	2.3
228.05415	3.4
228.23254	2.9
229.03743	15.6
229.08395	1.9
229.11826	6.1
229.15436	7.6
229.23598	1.2
247.04803	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	228.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
54.47908	0.6
55.01855	2.8
55.05504	14.4
56.05035	18.9
56.96566	4.7
57.03423	1.5
57.07056	1.5
58.06585	3.1
60.04515	1.1
61.55232	0.6
65.03928	1.0
67.04237	0.9
67.05500	13.7
68.04515	0.7
68.04681	0.6
68.05029	4.8
68.05830	0.8
69.03417	1.9
69.07066	7.3
70.02946	4.1
70.06590	25.9
70.99364	0.9
71.04967	2.2
71.58766	0.9
71.68957	0.7
72.04517	12.3
72.08150	4.9
73.02905	0.9
74.02440	1.0
79.05491	11.4
80.05009	6.9
80.05791	0.9
81.03413	5.2
81.06576	1.3
81.07051	23.2
82.06585	7.8
83.04536	0.7
83.04951	4.0
83.06895	0.8
83.07368	0.9
83.08620	3.8
84.04485	2.4
84.08137	8.5
85.02880	2.0
85.06543	3.5
86.06075	1.5
86.06870	1.2
86.09717	4.6
91.05480	9.8
93.07039	8.8
94.06557	2.8
94.07394	1.0
95.04983	3.5
95.08610	12.1
96.04475	1.2
96.08134	3.9
97.02851	1.5
97.06529	1.7
97.10157	2.4
98.06056	5.7
98.97567	2.2
99.04461	0.9
100.03985	0.9
100.11263	1.6
100.95638	0.7
101.11581	1.5
102.05497	0.7
105.07033	6.2
107.04941	2.0
107.08593	5.1
108.08084	1.4
109.06518	2.3
109.10144	2.1
110.05998	1.0
110.09703	0.8
111.04373	0.7
111.08041	1.2
112.07572	1.2
112.79128	0.7
116.98577	3.4
117.06965	1.2
119.08535	5.4
120.08904	0.8
121.06465	0.9
121.10152	6.1
122.06008	0.8
122.09653	1.2
122.10460	1.1
123.08037	2.1
123.11693	1.5
124.07539	0.9
127.03896	1.0
129.06973	2.4
130.05025	0.8
131.08583	3.8
132.08870	2.7
133.10141	4.3
134.99658	2.9
136.07571	1.3
137.05995	0.8
138.09126	1.6
138.12788	6.8
142.08620	0.8
146.99663	1.3
147.11668	3.5
148.11189	3.0
149.09627	5.5
150.09985	1.6
150.12631	0.9
154.15898	2.2
155.08513	1.0
156.10138	0.9
157.10098	1.8
158.99696	0.7
163.03880	2.3
164.14352	3.1
166.12288	13.0
167.07133	1.1
167.73734	0.7
168.07442	1.6
168.11061	1.0
173.05933	0.8
174.12868	0.9
175.11150	1.7
177.00677	1.7
182.11821	7.4
182.15395	60.9
183.15707	1.6
184.13330	41.2
185.13652	0.8
188.16156	0.7
192.11040	1.4
192.13818	6.5
193.12215	2.0
200.04729	1.0
200.16429	2.1
201.05421	1.0
205.98788	0.8
210.14880	100.0
211.13406	1.6
211.15231	2.6
213.00670	1.2
214.06137	1.1
228.10345	1.4
228.12326	2.6
228.15944	20.5
228.18156	1.2
228.23212	7.6
229.05031	0.8
229.08606	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	228.1019
Annotation	Clausine-V
Peak:m/z	Relative Intensity
53.03943	1.5
55.05513	1.0
56.05042	0.5
56.96564	1.3
57.07076	3.2
58.06606	0.8
65.03935	0.6
67.05511	2.4
69.07062	0.8
70.06590	3.7
70.80072	0.7
70.80421	1.4
71.08651	0.8
79.05493	27.0
80.05018	63.5
81.05363	0.8
81.07054	1.2
82.06584	1.1
83.08648	0.7
84.08128	0.5
88.07633	5.0
91.05480	6.3
93.05775	2.0
93.07051	2.9
94.06563	0.9
95.04972	1.6
95.08600	1.6
96.04488	0.7
102.09189	5.0
103.05469	76.2
105.07028	4.1
107.04956	40.0
107.78671	0.5
108.04471	3.6
109.05270	3.0
109.10153	1.5
110.06055	0.9
115.05447	2.4
116.98576	0.7
117.07052	0.6
121.06499	2.2
129.06985	0.8
131.00230	0.6
131.04929	30.8
132.05220	0.6
137.04718	1.2
140.07062	1.0
145.10106	0.6
149.01297	1.1
149.05952	4.3
152.91312	0.6
153.07028	0.7
155.08563	1.8
158.97643	0.7
165.06993	4.8
167.02254	0.5
167.07297	6.0
167.08470	0.8
168.07845	0.4
172.11201	0.9
174.04431	0.5
180.08096	8.8
182.09656	32.1
183.10023	0.8
200.10678	10.2
213.07925	0.8
214.70026	0.4
228.10194	100.0
228.23228	28.7
229.10504	1.5
247.41937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
52.64968	1.1
53.03941	1.5
55.01864	3.3
55.05510	15.0
56.96558	6.1
57.03444	5.5
57.07076	6.4
59.05003	4.2
61.02916	1.4
65.03945	1.5
65.63640	1.0
67.04236	1.3
67.05505	9.0
67.35057	1.2
69.03421	7.9
69.07063	17.8
69.65137	7.3
70.06586	2.1
71.04993	30.6
72.09122	1.2
73.02909	2.3
73.06560	2.8
73.64120	1.1
75.04481	1.3
78.04668	1.2
79.05496	11.2
80.05012	1.6
81.03411	3.8
81.07059	16.7
82.02942	1.6
82.06573	9.6
83.04986	6.1
83.08617	7.0
85.02915	1.8
85.06541	7.4
86.09698	4.9
87.95855	1.0
91.05472	15.9
93.07050	28.1
95.04970	100.0
95.08608	23.5
97.02892	1.1
97.06537	22.9
97.10181	5.9
98.97558	6.1
99.04457	19.1
99.07475	2.3
99.08096	36.3
100.11246	11.4
103.05472	3.8
105.07014	16.7
107.04964	3.3
107.08598	25.4
109.06534	17.7
109.10153	13.8
110.06100	1.6
111.08085	6.6
113.06014	2.7
113.09645	2.9
115.07569	9.4
116.98628	5.4
117.07027	3.3
119.01912	5.4
119.08585	10.4
120.08114	1.3
121.06492	7.7
121.10143	25.6
123.04421	2.5
123.08058	4.3
123.11703	9.5
125.06026	1.9
125.09639	11.1
127.07561	20.1
129.07007	2.5
131.04974	3.0
131.08568	9.6
133.10129	38.6
134.99658	4.4
135.08061	5.1
135.11670	7.5
137.05971	3.2
137.09634	4.1
139.05850	1.3
139.11191	18.2
140.04697	3.2
143.01935	4.4
143.08572	3.3
143.10678	3.2
145.10149	6.1
147.11681	9.6
148.05244	1.5
149.01311	1.7
149.06000	5.1
149.09647	3.2
149.13243	11.0
151.11223	8.1
153.05627	1.5
153.07082	1.6
153.09111	32.9
154.12238	1.2
155.07045	2.2
155.55284	1.2
157.06569	1.3
157.10120	2.2
158.10939	2.9
158.99677	2.2
161.02985	10.5
162.03133	2.3
163.11201	1.5
163.14824	7.4
164.03444	1.1
165.12819	1.6
167.05615	2.2
167.07043	35.4
167.14374	1.7
171.10197	9.2
171.11542	2.0
173.13261	21.9
174.13539	1.6
177.00703	3.3
177.05453	8.0
181.04930	4.5
181.06512	2.8
181.08566	4.9
183.13892	1.4
185.09637	1.5
185.13263	1.6
191.14302	13.6
199.07565	2.0
200.10678	1.4
202.98616	2.1
209.08099	3.8
209.11641	2.8
209.15263	11.9
210.07535	1.4
227.06982	4.5
227.08813	1.7
227.10559	2.6
227.14343	3.4
227.16331	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	MKN-003C
Peak:m/z	Relative Intensity
51.68081	2.4
53.03919	3.0
55.01866	3.7
55.05512	22.5
56.96552	8.0
57.03419	7.6
57.07056	8.2
58.75903	2.6
59.04985	4.5
65.03931	2.9
67.05508	15.6
69.03421	10.1
69.06483	2.8
69.07068	27.2
70.06592	3.4
70.75506	5.0
70.75856	4.4
71.04988	28.7
73.02908	3.0
73.06577	3.1
78.04694	5.2
79.05493	15.7
81.03407	6.4
81.07055	29.6
82.06577	19.8
83.04972	13.5
83.08599	11.0
84.04485	3.8
84.08143	3.5
85.02884	4.2
85.06524	8.4
86.09704	12.8
91.05480	26.0
92.05839	5.0
93.07038	35.8
95.04966	100.0
95.08595	22.4
97.02876	2.3
97.06522	21.5
97.10168	2.6
98.97576	6.1
99.04461	24.0
99.08089	34.3
100.11255	24.8
103.05447	6.5
105.07027	22.8
107.04949	10.0
107.08588	32.9
109.06531	20.3
109.07619	7.2
109.10141	15.6
111.04448	3.1
111.08075	7.7
113.09669	2.8
115.07561	9.3
116.98580	4.8
119.04958	6.5
119.08557	8.5
121.05671	3.4
121.06506	14.4
121.10128	29.9
123.04411	8.2
123.08092	5.9
123.11693	11.1
124.03899	4.5
125.04285	4.7
125.09617	10.6
126.00452	2.5
127.07564	19.9
131.04900	4.8
131.08543	10.5
133.10139	44.1
134.99680	5.0
135.08037	9.1
135.11696	11.6
137.05962	7.3
137.09589	7.7
139.07587	2.5
139.11192	16.9
143.08527	4.2
143.10657	4.1
145.10126	6.5
147.04402	3.6
147.11674	8.0
149.05975	10.2
149.09627	5.3
149.13240	12.2
151.11165	8.3
152.45886	2.7
153.07019	2.4
153.09103	32.7
155.07072	3.7
155.08501	3.4
157.08826	5.5
163.08669	2.7
163.11165	4.6
163.14798	5.7
167.07030	81.9
167.09077	4.2
167.14305	4.9
168.07430	3.2
169.12286	3.6
171.10231	12.9
171.11427	2.6
173.13239	20.7
175.03955	3.3
177.04160	3.4
177.05652	17.6
181.04965	6.3
181.06442	4.5
191.14342	12.5
195.06615	3.9
199.10736	3.9
200.07005	7.8
200.10663	21.0
209.06821	5.0
209.11676	4.7
209.15294	14.1
210.14870	3.5
213.07735	5.3
227.07024	5.9
227.10646	5.6
227.14305	5.0
227.16226	38.4
228.10213	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	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	12.5
56.96564	7.3
57.03426	2.1
57.07060	2.9
59.04982	2.5
64.90186	0.9
65.03934	4.6
67.05505	4.1
69.03417	9.6
69.07061	7.5
70.06572	1.5
71.04996	11.9
71.50154	0.8
73.02911	1.8
79.05482	3.7
81.03402	1.4
81.07053	10.7
82.06142	0.9
82.06575	6.0
83.04976	7.2
83.08629	8.1
84.96031	1.5
85.02885	2.6
85.06522	4.0
86.09717	5.5
91.05476	100.0
93.07037	13.3
95.04353	1.7
95.04963	33.4
95.08611	7.9
97.06525	7.9
97.10153	2.8
98.97585	8.9
99.04454	4.8
99.08088	15.5
100.02506	0.8
100.09447	1.7
100.11253	21.4
103.05482	0.9
105.07018	4.2
107.04948	1.0
107.08588	13.7
109.06496	6.3
109.10152	6.5
110.06017	1.7
110.97594	1.4
111.04439	1.8
111.08045	4.4
112.99145	2.7
113.05977	1.7
113.09653	0.9
115.07557	2.3
116.94173	0.9
116.98607	6.4
119.01915	1.3
119.08569	4.0
121.06500	1.8
121.10139	10.9
123.04292	1.3
123.08053	1.3
123.11703	3.8
124.99119	1.2
125.09621	25.2
125.13164	1.2
127.07565	6.8
128.07018	1.4
128.98589	4.6
131.00151	6.8
131.08534	3.2
133.10130	14.0
134.99614	3.8
135.08043	3.0
135.11697	2.6
136.07570	1.7
137.09579	2.4
137.13213	1.2
139.07558	0.9
139.11188	6.5
140.04660	2.8
141.11501	2.0
143.00142	3.6
143.10666	2.0
145.10121	2.2
146.99652	4.2
147.11668	4.4
149.01236	7.8
149.05943	1.4
149.09621	6.9
149.13248	7.2
151.11211	5.8
153.09116	15.4
154.12181	1.1
155.07013	3.4
157.08856	1.1
161.01231	5.8
161.02843	1.6
163.14793	3.6
167.07050	7.5
171.10164	4.2
172.15775	1.0
173.01245	1.3
173.13263	6.4
177.00671	2.1
177.05537	2.1
179.02240	1.0
181.04961	4.9
182.08069	1.1
182.15384	3.1
185.01176	5.2
185.08485	1.0
187.02808	2.1
189.00752	2.2
191.02220	3.2
191.10670	1.1
191.14285	7.0
199.18100	1.2
200.07098	1.5
200.10651	4.2
203.02264	13.4
209.08072	3.8
209.15248	13.5
213.17717	4.5
213.44116	0.8
221.03294	5.5
227.02357	1.3
227.07066	1.3
227.14194	1.1
227.16243	17.8
228.10260	1.3
245.03404	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	227.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.6
54.03455	0.8
55.01852	0.7
55.05507	4.9
56.05032	3.1
56.96568	3.7
57.03425	0.3
57.07047	1.2
65.03916	0.9
67.04240	8.0
67.05489	1.5
69.03423	0.9
69.07057	3.7
69.81921	1.5
70.04179	0.3
70.06566	1.3
71.04990	0.6
72.04498	1.4
72.08150	0.6
72.93771	0.4
74.02435	3.6
79.05485	1.2
80.05009	2.2
81.03413	5.0
81.04518	0.5
81.07031	1.2
82.02934	1.4
82.03754	0.5
82.06572	51.3
83.01304	0.4
83.04978	1.3
83.06092	0.4
83.06911	0.3
83.08627	1.6
84.04498	1.6
84.08136	100.0
85.02892	0.6
85.08468	0.5
86.09698	0.9
89.03922	1.1
91.05468	1.2
92.04993	0.4
92.05769	0.3
93.05807	0.4
93.07058	0.5
94.06572	1.1
95.04965	1.4
95.06078	0.3
95.08598	0.7
96.08108	0.5
97.02873	0.4
97.06517	0.3
97.10175	1.1
98.06049	3.6
98.21398	0.5
98.97532	0.4
99.04490	0.4
99.05580	0.7
100.03970	1.4
100.07640	1.1
100.11229	0.4
102.05550	0.8
103.91809	0.3
107.04969	1.0
107.08582	0.8
108.08124	0.9
110.06036	1.4
111.04457	0.3
111.11790	0.4
112.07653	0.5
116.98640	0.9
117.03378	0.7
118.05025	0.8
118.06564	0.5
119.05008	0.4
119.08508	0.3
120.08131	0.7
121.06499	0.7
123.04462	0.9
124.07568	0.6
126.05498	0.3
128.03477	1.0
130.05023	0.9
130.08615	0.3
134.99675	0.8
135.04425	1.8
136.07629	0.8
137.06013	0.6
138.05540	0.4
138.09219	0.7
143.00192	0.6
145.02930	1.0
145.48209	0.3
146.03458	0.4
146.04436	1.8
146.06021	0.8
146.09634	1.7
149.06010	0.8
151.03934	0.4
153.09119	0.3
155.07071	0.5
159.58527	0.3
161.01288	1.3
163.03883	8.7
163.08733	0.7
163.12360	0.9
164.04340	0.6
164.07104	0.6
165.00769	0.3
167.06999	4.7
168.82912	0.3
177.05531	1.1
181.09990	0.9
181.13342	23.3
182.08072	2.0
185.01338	0.4
187.02838	0.6
189.00775	0.8
203.02342	0.6
209.09338	1.2
210.07588	2.0
213.00793	0.4
215.03967	0.6
227.07082	0.6
227.10466	2.6
227.13878	8.4
227.20055	0.4
231.01790	1.8
249.02768	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.6
54.03455	0.8
55.01852	0.7
55.05507	4.9
56.05032	3.1
56.96568	3.7
57.03425	0.3
57.07047	1.2
65.03916	0.9
67.04240	8.0
67.05489	1.5
69.03423	0.9
69.07057	3.7
69.81921	1.5
70.04179	0.3
70.06566	1.3
71.04990	0.6
72.04498	1.4
72.08150	0.6
72.93771	0.4
74.02435	3.6
79.05485	1.2
80.05009	2.2
81.03413	5.0
81.04518	0.5
81.07031	1.2
82.02934	1.4
82.03754	0.5
82.06572	51.3
83.01304	0.4
83.04978	1.3
83.06092	0.4
83.06911	0.3
83.08627	1.6
84.04498	1.6
84.08136	100.0
85.02892	0.6
85.08468	0.5
86.09698	0.9
89.03922	1.1
91.05468	1.2
92.04993	0.4
92.05769	0.3
93.05807	0.4
93.07058	0.5
94.06572	1.1
95.04965	1.4
95.06078	0.3
95.08598	0.7
96.08108	0.5
97.02873	0.4
97.06517	0.3
97.10175	1.1
98.06049	3.6
98.21398	0.5
98.97532	0.4
99.04490	0.4
99.05580	0.7
100.03970	1.4
100.07640	1.1
100.11229	0.4
102.05550	0.8
103.91809	0.3
107.04969	1.0
107.08582	0.8
108.08124	0.9
110.06036	1.4
111.04457	0.3
111.11790	0.4
112.07653	0.5
116.98640	0.9
117.03378	0.7
118.05025	0.8
118.06564	0.5
119.05008	0.4
119.08508	0.3
120.08131	0.7
121.06499	0.7
123.04462	0.9
124.07568	0.6
126.05498	0.3
128.03477	1.0
130.05023	0.9
130.08615	0.3
134.99675	0.8
135.04425	1.8
136.07629	0.8
137.06013	0.6
138.05540	0.4
138.09219	0.7
143.00192	0.6
145.02930	1.0
145.48209	0.3
146.03458	0.4
146.04436	1.8
146.06021	0.8
146.09634	1.7
149.06010	0.8
151.03934	0.4
153.09119	0.3
155.07071	0.5
159.58527	0.3
161.01288	1.3
163.03883	8.7
163.08733	0.7
163.12360	0.9
164.04340	0.6
164.07104	0.6
165.00769	0.3
167.06999	4.7
168.82912	0.3
177.05531	1.1
181.09990	0.9
181.13342	23.3
182.08072	2.0
185.01338	0.4
187.02838	0.6
189.00775	0.8
203.02342	0.6
209.09338	1.2
210.07588	2.0
213.00793	0.4
215.03967	0.6
227.07082	0.6
227.10466	2.6
227.13878	8.4
227.20055	0.4
231.01790	1.8
249.02768	1.8
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	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03926	1.6
55.01870	9.3
55.05507	13.6
56.86027	1.0
56.96561	8.8
57.03437	4.5
57.07074	7.4
59.04989	2.2
65.03930	5.6
67.04248	1.2
67.05502	33.7
68.05000	1.2
69.03444	5.5
69.07067	12.5
69.70987	3.6
69.71394	1.9
70.06567	2.7
71.04590	1.2
71.04987	21.3
73.02917	24.1
75.04475	1.1
77.03922	2.0
77.06521	0.9
79.05489	34.0
80.04991	1.1
81.03431	4.7
81.07051	13.8
82.04196	1.3
82.06578	14.9
83.04973	11.6
83.08615	6.0
84.04489	1.3
84.08120	1.6
84.96025	3.0
85.02926	4.5
85.06539	100.0
86.09698	17.2
87.04462	1.3
91.04890	1.2
91.05473	26.2
93.07038	30.9
95.04965	46.4
95.08608	5.9
97.02866	2.7
97.04045	1.6
97.06527	13.5
97.10158	2.6
98.06039	4.6
98.97568	7.3
99.04464	7.3
99.08078	8.5
100.11255	20.4
103.05450	3.3
105.07024	22.6
106.07236	1.1
107.04951	27.0
107.08588	36.2
108.05318	1.0
108.08117	3.1
109.02908	1.5
109.06515	10.6
109.10141	4.3
110.03654	2.1
110.07173	1.2
111.04443	13.7
111.08054	1.5
113.05959	1.6
114.05495	1.0
115.07516	1.7
116.06248	1.7
116.98619	8.4
117.07016	6.8
119.01907	1.9
119.04972	1.3
119.08572	19.7
119.69747	0.9
121.06503	20.2
121.09303	1.7
121.10137	24.3
122.02415	1.6
123.02621	1.5
123.04424	10.1
123.08060	3.2
123.11719	1.4
125.02370	1.6
125.05994	10.0
125.09624	3.7
127.03934	1.9
127.07550	3.1
128.06207	1.1
128.98586	1.6
129.07021	7.5
130.07788	1.0
131.08562	72.1
132.05731	0.9
133.10132	9.1
134.99672	6.5
135.04434	1.9
135.08041	5.1
135.11711	7.2
136.07584	8.6
137.05943	3.6
137.09619	9.9
139.05786	1.4
139.07516	3.3
139.11157	3.3
140.04671	29.9
141.05466	1.3
142.02644	1.9
143.01877	2.1
143.08549	1.5
145.06441	2.5
145.10121	30.1
147.08041	6.5
147.11696	2.4
149.01215	1.3
149.05998	5.9
149.09612	68.8
149.13264	2.6
151.11162	2.0
152.04707	1.2
153.05489	4.1
153.07034	1.8
153.09082	10.7
155.07027	33.5
155.08389	2.0
158.99692	2.1
161.02931	3.1
161.09674	1.2
163.07570	4.0
163.11186	25.4
163.14819	2.0
164.07080	2.0
165.09119	10.2
167.07030	18.3
167.08403	1.4
167.10663	31.5
169.56361	1.0
171.06520	4.5
171.07915	1.2
171.10133	3.3
173.08098	4.0
173.09605	5.8
173.13179	4.5
177.00699	3.4
177.05482	5.4
179.06940	1.1
181.04953	66.3
181.08540	3.9
182.08142	5.2
182.15373	1.5
184.05223	0.9
184.13353	1.2
191.02209	1.4
191.10661	58.0
191.14227	4.5
195.06546	1.4
197.11720	1.7
202.98656	1.1
207.06433	1.0
209.08095	13.4
209.11710	49.7
209.15335	6.1
210.07524	1.5
210.14861	4.4
219.01826	1.5
227.08702	15.9
227.12714	15.3
227.16464	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1276
Annotation	Chloriolide
Peak:m/z	Relative Intensity
55.01860	9.5
55.05509	29.0
56.96565	16.9
57.03429	6.7
57.07079	6.5
60.56382	2.6
63.29468	2.5
65.03946	3.2
67.05502	31.1
69.07062	19.5
69.30750	31.4
71.04993	6.5
71.08640	3.1
73.02922	5.1
74.16290	2.6
78.04710	5.6
79.05488	38.0
81.03421	8.2
81.07051	44.2
82.06573	11.5
82.58375	2.7
83.04974	7.8
83.08625	24.2
84.96022	3.9
85.06535	3.6
91.05475	18.6
93.07040	52.5
95.04958	12.5
95.08604	59.2
95.57122	2.7
97.02884	4.0
97.06535	6.9
97.10155	9.4
98.97572	6.2
99.04472	6.4
100.11246	17.8
103.05460	11.0
105.07020	15.2
107.04906	21.2
107.08586	40.3
109.06524	5.0
109.10172	8.8
111.04484	4.5
116.98616	11.6
117.07043	14.2
119.04923	2.7
119.08558	18.2
121.06509	21.6
121.10131	19.4
123.04432	6.8
123.07996	3.3
123.11729	4.1
125.05988	3.6
125.09669	3.5
128.06201	3.5
129.06992	5.8
130.07819	4.0
131.04961	5.1
131.08583	3.1
133.10135	8.8
134.99680	7.8
135.11682	57.5
137.05968	9.7
139.07535	4.8
142.07695	4.0
143.08569	11.5
145.10114	37.2
149.05960	15.2
155.08582	3.1
156.09248	4.8
157.10139	9.8
158.97621	7.7
159.11691	3.7
163.11165	84.6
163.14894	3.0
167.07022	100.0
171.11678	8.8
176.47629	3.0
177.05461	28.7
181.04947	4.5
181.06383	4.6
181.12225	20.6
185.09645	22.4
185.13264	10.5
194.15007	3.0
209.08040	8.6
209.13300	4.1
212.04221	3.1
212.11949	3.5
227.07005	8.1
227.10516	10.0
227.12617	78.8
227.17830	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	227.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01863	6.3
55.05506	3.0
56.96574	3.0
57.03427	1.0
60.24193	0.5
61.02928	0.6
64.21317	0.4
65.03935	7.0
67.01840	0.5
67.04235	0.9
67.05499	3.8
67.19810	0.6
68.05015	0.5
68.49092	0.5
68.99770	1.0
69.03432	2.7
69.07056	1.6
69.96264	2.3
70.06588	0.6
71.04982	1.8
71.95256	0.5
73.02912	38.9
76.34257	0.5
79.05500	2.5
81.03413	1.6
81.07047	2.0
82.02904	0.5
82.04182	3.3
82.06576	3.0
83.01318	1.0
83.04990	0.9
83.08613	1.2
84.04494	0.8
84.08147	0.7
85.02899	9.4
85.06529	1.5
86.09676	2.4
91.03963	0.7
91.05486	2.7
93.03365	1.6
93.07032	3.0
95.04965	11.1
95.08604	1.0
96.04525	0.6
97.02901	2.3
97.06539	3.9
97.10159	0.6
98.97589	2.5
99.04440	1.3
99.08078	2.2
100.11251	8.0
103.05454	1.4
105.07022	1.4
107.04983	1.1
107.08551	1.4
108.02088	1.3
109.02968	0.5
109.06496	1.2
109.10194	1.0
110.03650	3.8
111.04440	2.0
113.02297	0.5
116.98600	2.0
117.07006	0.5
119.08576	0.7
120.08083	3.2
121.06479	2.4
121.10107	1.4
123.00759	1.1
123.04420	9.9
123.11710	0.7
123.87959	0.5
124.05218	0.5
125.02334	4.5
125.05975	2.4
125.09622	1.0
127.03906	1.9
127.07592	0.8
128.98575	1.4
133.06447	1.0
133.10098	1.5
134.99600	1.2
135.08037	1.0
135.11670	0.9
137.02327	0.6
137.05936	1.1
137.09584	0.7
138.03113	2.1
139.03949	0.8
139.11220	0.7
140.04671	49.8
141.01868	0.7
141.05034	0.8
142.02605	2.7
143.00148	0.6
143.03331	2.9
146.04446	0.9
146.99626	0.5
149.05974	0.9
149.09573	0.8
149.13260	0.7
153.01779	0.7
153.05490	1.5
153.09100	1.8
155.07016	59.7
156.07359	1.0
161.01207	0.9
161.05988	0.8
164.07088	0.8
166.06209	0.7
167.03412	0.8
167.07021	3.0
169.01314	29.3
170.01764	0.8
171.06511	7.2
171.10077	0.6
173.02768	0.6
173.08087	5.8
173.13210	0.6
177.00786	1.5
177.05516	0.9
179.07019	2.6
181.04947	100.0
182.05318	1.9
182.15430	0.8
185.04498	0.8
191.10760	0.8
192.06512	0.7
193.04938	5.1
201.00719	0.6
206.03470	0.7
209.08057	20.7
209.15054	0.6
209.16769	0.7
210.07709	0.8
210.14842	0.7
216.06424	0.8
219.01726	0.8
227.05458	2.1
227.09064	13.5
227.14278	0.6
227.16418	1.6
227.17772	0.7
237.02776	1.2
238.12756	0.5
249.00670	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1024
Annotation	Porphobilinogen
Peak:m/z	Relative Intensity
53.03935	1.0
54.03468	2.3
55.01874	0.5
55.05509	4.1
56.05033	0.9
56.96574	1.6
57.03434	0.4
61.02916	0.8
65.03941	2.6
67.04243	14.1
67.05505	1.1
68.05028	0.7
69.03407	0.4
70.02949	0.5
70.06592	1.7
71.04967	0.7
71.14294	0.3
71.58784	0.5
72.04517	2.0
73.02908	0.8
74.02436	7.6
79.05495	0.4
80.05013	7.0
81.03416	12.8
82.02943	2.2
82.03741	1.3
82.06575	100.0
83.01336	0.7
83.04992	1.7
83.06096	4.1
83.06906	0.9
84.04488	2.3
84.08135	4.6
85.02898	0.9
91.05466	1.1
92.05031	1.5
93.05779	2.8
94.06578	2.4
95.04993	0.4
98.06053	4.1
98.97558	0.7
99.04436	0.6
99.05562	1.7
100.03977	2.4
100.07620	2.9
101.00887	1.0
101.02374	0.6
102.05545	1.3
103.05473	0.4
106.06538	0.8
108.04491	0.4
108.06854	0.3
108.08102	1.9
110.06059	1.1
110.07156	1.3
112.02541	0.3
112.05094	0.5
113.02367	0.4
116.07090	1.0
116.98631	0.6
117.05748	0.9
118.05019	2.0
118.06536	4.4
119.01884	3.8
119.06068	0.8
120.02050	0.6
120.08089	1.3
121.06503	0.4
128.03418	3.1
128.98586	0.6
129.06583	1.1
130.03491	1.1
130.05000	0.6
131.01910	0.5
131.03622	0.7
132.06827	0.5
133.01616	0.4
133.07605	1.3
135.04442	0.4
135.06804	2.8
135.09132	1.7
136.07584	3.9
137.02901	0.5
138.05492	1.0
145.07587	2.5
146.04483	4.9
146.05905	2.0
146.08412	0.6
147.09145	0.7
148.07527	0.5
151.08696	0.4
155.04599	0.3
156.01453	1.2
157.04607	0.8
158.04683	1.2
161.02942	0.5
163.03899	1.0
163.08662	4.2
164.07057	1.3
167.07085	2.0
173.07137	0.4
174.02484	7.3
175.02676	0.4
175.05669	0.4
176.05707	1.0
177.00703	0.5
177.02254	0.3
177.05472	0.6
178.07365	0.9
179.08105	1.1
181.04645	0.7
181.09669	1.9
181.13268	0.4
182.08119	4.2
191.08124	1.8
192.03548	2.8
192.06497	0.8
199.05617	1.0
209.09213	6.7
210.07582	4.0
227.10237	17.1
227.13902	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Massarigenin B
Peak:m/z	Relative Intensity
53.03934	1.1
55.01870	5.2
55.05499	1.9
56.96536	0.6
65.03650	0.6
65.03934	7.0
67.05502	3.1
69.03409	1.2
69.07067	0.9
71.04978	1.3
73.02910	37.4
79.05488	1.4
81.03405	0.9
81.50558	0.4
82.04184	2.5
82.06567	0.9
83.04973	1.2
85.02895	4.1
86.09709	0.9
91.03941	0.9
91.05447	1.3
92.75701	0.5
93.03389	2.3
93.07026	1.0
95.04968	6.6
97.02873	1.1
97.06517	1.9
100.11266	3.5
103.05438	0.6
107.04943	0.9
108.02084	1.6
110.03654	3.7
111.04417	1.5
121.06498	1.5
123.04424	8.6
125.02304	2.9
125.05948	1.8
131.86322	0.5
136.17903	0.5
137.05989	0.6
138.03079	1.4
139.03893	0.6
140.04672	47.6
142.02592	1.9
149.06042	0.7
149.09645	0.6
153.05455	2.2
155.07016	50.0
156.07317	0.6
167.06998	1.7
169.01373	1.2
171.06506	5.6
173.08060	4.9
176.67607	0.5
179.07027	2.5
181.04945	100.0
181.08324	4.0
182.05299	0.9
191.50520	0.5
193.70825	0.5
199.96024	0.5
209.08073	16.8
215.06589	1.3
227.09071	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	227.0914
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03934	2.3
54.03469	0.9
55.01859	6.0
55.05509	5.5
56.05025	0.8
56.96563	4.1
57.03428	2.6
57.07069	1.2
59.05003	0.9
61.03485	0.6
65.03947	7.0
67.05499	7.1
68.05023	0.8
69.03436	3.7
69.07061	5.9
69.87741	4.2
70.06572	2.6
71.04987	5.0
73.02917	35.2
75.04461	1.0
78.04671	0.8
79.05493	6.8
81.03403	2.8
81.07064	5.1
81.81359	0.7
82.02930	0.9
82.04189	2.8
82.06571	6.8
83.04972	2.3
83.08619	3.4
84.04492	1.9
84.08128	1.2
85.02901	5.1
85.06533	8.9
86.09713	8.9
91.03934	1.2
91.05469	7.5
91.53305	1.0
93.03378	1.3
93.07040	9.1
95.04363	1.6
95.04971	29.0
95.08609	3.6
96.04486	0.9
97.01089	0.9
97.02888	2.0
97.04002	1.3
97.06526	6.1
97.10139	1.4
98.97601	4.0
99.04478	4.0
99.08085	4.2
100.07607	0.7
100.11256	10.5
103.05478	2.1
105.07022	3.2
106.04175	1.2
107.04961	4.7
107.08591	6.3
109.06548	4.8
109.10152	2.1
110.03651	5.3
110.07196	1.1
111.04444	5.7
111.08086	1.2
115.07521	1.2
116.98608	2.9
117.07007	1.5
119.04980	1.4
119.08589	3.5
121.06512	6.0
121.10150	4.4
123.02623	1.0
123.04441	9.8
123.08080	0.8
123.11729	1.1
124.05231	0.8
125.02322	3.4
125.05999	4.2
125.09625	1.4
127.07555	2.0
129.07010	1.7
131.05000	0.8
131.08577	5.9
133.10133	3.7
134.03564	0.8
134.99620	2.6
135.04420	1.2
135.08043	1.4
135.11694	1.5
136.07501	1.0
137.05968	3.1
137.09709	0.9
138.03136	2.1
139.11198	1.4
140.04678	47.8
142.02588	2.1
145.10143	4.0
147.04393	0.9
147.08031	0.8
147.11696	1.5
148.05136	1.0
149.05965	6.5
149.09634	7.2
149.13249	1.9
151.11165	1.2
152.04710	1.0
153.05472	2.0
153.07056	0.9
153.09087	6.2
155.07030	52.4
156.07501	0.8
158.99655	1.3
163.07564	1.1
163.11165	3.1
163.14908	1.4
165.05379	0.8
167.05626	1.4
167.07048	28.1
167.10655	2.7
171.06570	8.3
171.10129	1.9
173.08063	4.1
173.09554	1.4
173.13278	2.1
177.00681	1.2
177.05446	5.2
179.07011	2.5
181.04958	100.0
181.08351	4.1
182.05338	1.6
182.08249	1.0
182.15350	0.8
191.10661	7.0
191.14346	2.7
195.06520	1.1
204.55119	0.7
209.08083	20.9
209.11607	4.9
209.15071	3.5
227.08858	19.2
227.12708	1.5
227.16434	3.0
227.18123	0.9
241.28877	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0911
Annotation	Ficusol
Peak:m/z	Relative Intensity
51.02383	0.4
53.03941	1.0
55.01857	1.1
55.05509	2.6
56.96547	1.4
57.03436	0.5
57.07070	0.9
65.03932	0.8
67.05484	1.9
67.31282	0.4
69.07061	2.3
69.58063	0.7
69.58401	3.2
70.06604	0.5
71.04974	0.9
73.02908	1.0
73.28179	0.4
78.04694	3.2
79.05486	3.5
81.03396	1.5
81.07056	2.7
82.06580	2.7
83.04967	0.4
83.08596	1.1
84.08134	0.7
85.02889	0.5
85.06493	0.6
86.09712	0.5
88.34405	0.4
89.03889	1.1
91.05479	8.8
93.07045	4.4
95.04966	3.8
95.08578	1.6
97.06512	0.9
97.10174	1.0
98.97573	0.9
99.04450	0.5
100.11263	3.8
103.05465	6.2
105.03428	0.6
105.04478	0.5
105.07017	1.2
106.04172	1.6
107.04960	3.8
107.08582	1.8
109.06496	1.5
109.10182	1.0
111.04443	0.4
111.08082	0.6
116.98630	1.5
117.03348	1.5
117.25188	0.4
119.04924	2.3
119.08584	1.4
121.06497	11.8
121.10122	1.3
122.03642	1.3
123.04427	9.1
123.07998	0.5
124.05210	2.8
125.02338	0.4
125.09667	0.6
128.06215	0.7
129.06967	0.5
131.04933	6.6
131.08568	1.2
133.02837	1.0
133.10173	0.6
134.03688	2.5
134.99641	1.1
135.04416	1.9
135.08075	0.5
135.11652	0.5
137.05971	10.5
140.04668	3.7
143.08551	1.4
145.02818	1.1
145.10120	1.1
147.04454	0.9
147.11662	0.7
148.05156	1.8
149.05981	14.7
151.03886	1.7
152.04689	2.5
153.05487	0.7
153.06943	0.4
155.07002	2.1
155.08401	0.4
157.10149	1.5
159.04388	3.0
159.11678	0.6
163.03905	0.8
163.07541	0.6
165.05443	1.1
166.06313	0.5
167.07034	100.0
168.07378	1.8
170.10817	0.6
171.11659	1.4
176.04750	0.8
177.00729	1.1
177.05464	25.5
178.06219	0.5
180.07869	0.5
181.04942	1.6
181.06436	0.9
181.08566	1.1
185.09508	0.6
185.13193	1.1
191.07018	0.8
194.05710	1.0
199.11113	0.6
209.08044	5.7
209.09613	0.6
209.11525	0.5
227.06987	1.5
227.10565	1.0
227.14360	1.6
227.17896	4.5
227.20035	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.9719
Annotation	Unknow
Peak:m/z	Relative Intensity
70.38766	3.3
89.17576	0.9
90.32629	0.8
94.93004	21.2
110.31490	0.8
150.95578	100.0
166.95085	3.4
180.96626	9.2
196.85643	4.3
208.96132	13.5
226.86693	13.6
226.97186	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.3
56.96570	11.7
71.30526	3.4
82.02938	2.2
84.04494	3.4
84.08139	10.0
88.02497	4.0
93.04486	2.5
95.06057	2.7
100.03959	3.3
106.03510	2.9
107.84413	2.1
110.07162	44.9
113.00837	3.6
114.04006	2.5
118.03523	4.0
118.38966	1.8
119.01908	14.5
120.01993	2.2
121.01690	2.7
124.02502	1.9
124.77999	1.7
129.05040	2.3
130.03476	7.7
131.01901	72.3
132.05119	4.1
134.99719	2.8
136.04538	5.8
137.02968	5.7
138.04010	2.5
140.00204	6.3
142.03488	36.6
145.03432	4.4
146.99626	2.9
147.06207	3.6
149.02957	54.1
149.10587	2.3
151.50652	3.7
154.03433	5.3
156.05029	10.3
156.07687	9.4
157.03426	3.8
158.01259	11.6
160.04590	21.2
168.01433	21.8
171.01099	2.4
172.04590	9.8
173.04111	2.3
174.02499	4.4
174.51057	2.8
176.02274	5.7
176.04042	5.7
179.00813	4.3
181.10901	2.5
181.51740	3.4
182.02951	10.8
185.02950	5.1
186.02475	100.0
187.02451	4.6
190.05646	4.1
192.98703	5.2
195.51395	3.2
200.04060	18.7
201.02422	4.5
203.04077	4.2
204.01775	13.8
204.03447	3.5
209.04076	3.8
209.51239	6.9
213.02266	9.3
213.52356	6.4
215.02060	2.2
218.05032	3.9
218.51663	5.4
219.02011	4.4
222.02817	26.6
222.52898	3.4
224.02464	4.1
227.01741	3.1
227.11317	3.2
245.06247	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	225.1485
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
50.81364	1.0
53.03939	2.3
55.01857	3.8
55.05509	8.4
56.96544	4.8
57.03428	1.8
57.07073	8.5
59.04996	2.5
64.44453	1.0
65.03936	2.8
67.05491	9.0
68.37771	1.0
68.99792	1.1
69.03416	4.4
69.07064	11.1
71.01337	3.3
71.04989	37.5
71.08642	1.4
71.33109	2.5
72.53064	1.1
79.05466	7.9
81.03396	7.1
81.07053	17.4
81.17793	1.0
83.04988	8.7
83.08611	8.8
83.39645	1.0
85.02896	4.0
85.06535	4.3
86.70350	1.0
89.20291	1.0
91.05475	25.3
93.07039	9.8
95.04980	7.2
95.08602	18.2
97.02859	1.9
97.06529	17.5
97.10161	1.5
97.77730	1.1
98.06046	1.6
98.97575	4.0
99.04444	100.0
99.08092	3.2
103.05476	1.4
105.03387	3.3
105.07021	9.2
107.04940	5.0
107.08586	43.9
109.02882	1.3
109.06509	24.6
109.10127	5.3
111.04430	3.2
111.08067	3.7
111.11700	3.2
113.09613	5.5
116.98596	3.0
118.04142	2.7
119.04934	22.0
119.08561	5.0
121.06486	3.4
121.10128	17.1
123.04441	3.6
123.08050	20.6
123.11687	19.0
125.06009	1.9
125.09612	9.9
127.07504	1.7
129.06972	1.1
131.08549	3.8
132.02060	1.4
133.02867	1.6
133.06459	1.3
133.10101	3.6
134.99657	3.0
135.04413	1.9
135.08044	1.8
135.11667	2.7
137.05969	4.5
137.09634	3.1
137.13213	3.8
139.11186	4.3
140.09065	1.1
141.07001	1.2
141.12689	2.6
143.08546	2.0
145.10127	2.2
146.03554	1.2
147.04405	17.1
147.08057	1.5
147.11662	9.2
149.02345	2.9
149.09630	11.6
151.07542	3.1
153.05515	1.9
155.07118	1.1
155.08559	3.4
156.09383	1.3
157.03918	1.5
161.01167	1.3
161.13237	4.9
163.03847	1.6
163.11179	2.7
164.04666	2.3
165.05522	2.7
165.06908	1.2
165.09143	1.6
165.12724	14.5
167.07054	6.0
167.08478	1.4
167.10667	28.1
169.08798	1.7
169.10057	7.2
171.11757	2.1
175.03911	28.4
177.00656	1.5
179.03456	2.4
179.07022	2.4
179.08585	1.6
179.14314	4.4
180.04158	5.6
181.10210	1.1
183.11723	3.9
183.13789	39.4
189.12753	3.7
192.04160	10.7
193.05000	1.8
197.05998	1.8
197.13217	1.6
204.23433	1.0
207.02950	1.2
207.06506	33.9
207.08372	2.0
207.13739	11.3
210.04158	1.7
225.03999	1.1
225.06575	4.5
225.09195	2.9
225.12711	2.9
225.14825	17.2
225.16489	5.6
225.19624	1.8
226.09740	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.4
55.05497	19.3
56.96568	11.6
57.03432	5.9
57.07055	11.9
67.05492	43.5
69.07056	17.4
71.59554	4.2
77.12037	4.4
79.05489	26.5
81.03406	15.6
81.07059	23.4
83.08638	4.5
83.38721	4.3
85.10135	5.2
91.05477	59.7
93.07057	9.7
95.04980	17.1
95.08603	19.9
99.04456	9.8
105.03397	10.0
105.07013	26.7
106.28302	4.5
107.08617	8.5
109.06428	5.4
109.10160	11.2
115.05447	86.1
117.07010	19.7
119.08590	11.7
121.10119	5.1
123.08073	7.6
123.11698	7.4
126.83960	5.0
128.06227	50.6
129.07008	47.5
131.08580	12.3
133.10086	6.9
137.97092	5.6
141.05960	7.0
141.06987	80.4
142.07794	11.1
143.08549	13.6
145.10075	8.3
149.01222	11.4
152.06198	17.6
153.06993	84.5
154.07748	47.4
155.06050	9.5
155.08551	76.8
156.09242	6.2
157.10045	5.6
165.06975	8.9
166.19873	4.6
167.08548	41.7
168.09325	17.6
169.10149	52.9
181.10115	12.0
183.11684	35.1
184.12358	5.2
196.12469	4.9
197.13249	14.0
207.06464	7.7
207.13773	7.9
225.08910	11.1
225.12642	7.2
225.14819	17.1
225.16545	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.05495	8.6
57.07051	4.8
59.04979	10.4
67.05505	28.6
67.63058	2.3
69.03410	5.3
69.07066	3.2
71.49006	4.9
75.65545	2.0
79.05489	7.3
81.07053	20.9
83.04980	6.1
85.02903	77.3
85.06540	11.1
91.05476	6.8
93.07047	13.9
95.04991	2.9
95.08604	100.0
97.06545	2.2
97.10139	2.5
98.97580	3.6
99.04431	4.4
101.06046	2.6
105.07034	8.7
107.08591	11.1
109.06500	7.9
109.10120	8.0
113.06026	6.3
119.01909	2.6
119.04936	3.5
119.08591	18.2
121.06384	2.9
121.10126	13.8
123.08059	47.0
123.11708	57.1
125.05986	3.4
125.09670	2.4
129.05507	3.2
133.10115	4.2
135.08049	3.5
135.11691	12.9
137.09665	2.7
141.09099	7.4
147.07988	4.3
147.11678	8.1
149.09604	18.9
151.07506	4.5
151.14717	2.6
161.02937	3.3
161.13199	6.6
163.11226	2.9
165.12791	7.8
166.07243	2.8
169.08650	2.2
174.10315	2.8
175.03905	4.3
179.14354	6.3
189.12712	9.1
192.04080	3.2
207.06387	3.4
207.13797	30.4
225.14842	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	225.0867
Annotation	3-Hydroxykynurenine
Peak:m/z	Relative Intensity
53.03936	2.0
53.36432	1.2
55.01852	1.8
55.05494	3.9
56.05004	2.0
68.05005	2.8
68.41695	1.0
70.06582	7.3
70.20500	4.3
72.04498	1.5
74.35162	1.0
80.05009	47.0
81.03406	10.5
81.05786	2.5
82.02932	3.0
82.05295	3.9
82.06574	5.6
83.01324	5.5
83.03703	2.3
83.59924	1.1
84.04488	14.4
91.05491	1.3
91.53061	1.1
94.06538	2.9
95.06081	5.4
96.04477	17.6
96.06863	34.8
96.08120	5.0
97.05245	4.7
97.07648	45.7
98.06046	52.8
99.04450	1.1
101.02346	2.0
102.05496	1.3
106.06535	5.3
107.06068	29.2
108.06843	1.3
108.08080	1.8
109.07626	9.0
112.00587	1.2
118.06526	2.7
120.15347	1.1
121.07611	3.4
122.08381	2.5
123.09179	19.2
124.07571	2.7
125.07085	1.6
129.04208	1.7
130.04959	3.0
133.06618	2.0
133.07600	35.9
134.06030	5.8
134.08412	1.4
135.05525	3.9
135.09117	2.0
146.04472	2.9
151.08643	23.3
152.07100	1.7
153.06577	3.6
160.18878	1.1
161.07077	21.4
162.05516	6.8
163.08618	6.0
179.08142	52.8
180.06496	4.1
186.56618	1.1
197.09196	75.0
207.07553	4.8
225.08675	100.0
226.09035	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.1
55.01860	7.3
55.05497	21.6
56.96329	3.5
56.96564	44.7
57.03435	25.1
57.07068	21.7
59.04992	5.3
65.03938	5.3
67.05490	14.8
68.71823	3.2
68.99768	5.6
69.03124	3.3
69.03431	37.9
69.07050	13.2
70.73891	9.1
71.04979	15.6
71.34657	2.7
73.02900	8.3
79.05489	20.8
80.05012	9.1
81.03407	49.9
81.07049	35.5
83.04971	13.9
83.08607	6.2
84.04504	6.4
84.08137	6.2
84.96018	8.5
85.02901	85.1
85.06529	5.6
85.72566	2.8
86.09692	5.6
87.04461	14.3
89.03918	15.0
91.05471	78.9
93.07023	18.6
95.04970	29.6
95.08595	27.3
97.02885	46.0
97.06544	4.3
97.10143	3.1
98.06046	3.8
98.97572	42.8
99.04441	22.5
99.06834	7.0
99.08093	7.5
103.05479	4.9
105.03374	8.6
105.07013	24.7
107.04922	6.3
107.08586	36.8
109.02861	4.3
109.06499	19.3
109.10147	13.4
110.97540	3.8
111.04436	4.4
111.08070	7.1
113.05947	4.1
115.03906	9.5
115.05426	3.9
116.98609	41.2
117.03365	23.0
118.04153	9.0
119.04931	68.2
119.08553	25.1
120.08015	3.9
121.02859	7.0
121.06470	7.2
121.10133	21.3
123.04443	8.5
123.08067	26.7
123.11706	12.3
124.99139	9.0
125.05994	6.8
125.09589	16.7
127.03887	4.3
127.07623	3.9
127.11174	3.1
128.02274	3.6
128.98596	11.5
131.00145	4.4
131.08572	6.0
132.02002	3.6
133.02815	2.8
133.05020	3.0
133.10129	12.6
134.03572	3.9
134.99622	18.0
135.02107	3.4
135.04433	9.3
135.08029	24.8
135.11684	9.8
137.05969	6.5
137.09624	10.9
138.05501	7.7
140.02243	4.2
141.07056	3.6
141.09093	8.1
143.00139	40.8
143.08557	5.0
145.02820	56.5
145.04919	3.5
145.10101	3.9
146.03252	6.9
146.04413	3.0
146.99628	14.3
147.03244	5.7
147.04398	52.1
147.07951	6.1
147.11656	15.9
149.01250	5.1
149.02354	11.1
149.05963	10.2
149.09589	21.4
151.07574	11.0
151.11183	4.5
153.05399	5.5
153.09064	7.9
155.02783	4.3
158.99632	10.5
159.11655	4.0
161.01216	63.7
161.09494	4.0
161.13245	16.6
162.01645	4.9
162.99083	3.8
163.03932	6.1
163.11195	10.1
164.04715	4.5
165.05347	2.9
165.09163	9.2
165.12764	7.0
167.06998	3.3
167.10680	2.9
168.05403	3.7
169.06468	3.7
169.08574	5.3
170.99696	8.9
171.11723	6.0
174.10457	3.9
175.03911	98.2
175.15146	3.7
177.00655	14.7
177.04086	2.9
177.05460	77.5
177.07022	4.3
177.12698	4.6
178.05797	10.7
179.02095	5.7
179.03416	10.5
179.06984	5.0
179.14296	6.1
181.12393	3.4
183.06520	4.9
184.99821	2.8
185.01201	16.4
189.00700	12.9
189.12755	24.9
192.04126	21.4
193.04961	6.6
195.01743	4.1
195.13779	11.4
197.05923	5.2
201.00679	12.1
203.02312	13.9
204.06480	8.5
204.56665	5.4
207.03214	4.3
207.06502	100.0
207.13765	39.7
208.06787	3.1
210.01732	3.1
213.06993	25.5
213.57129	6.8
219.01723	13.8
224.57809	7.7
225.05632	5.0
225.07449	5.5
225.12799	5.4
225.14832	46.7
237.02682	15.4
249.02763	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	225.0755
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
55.01851	1.3
55.05497	2.1
56.96576	1.2
57.03406	1.5
57.07071	1.3
65.03934	6.4
67.05486	3.1
69.03416	2.9
69.07050	3.3
69.52787	6.7
71.04968	3.1
75.48627	0.9
77.03891	1.0
79.05482	2.9
80.04998	2.1
80.06283	1.0
81.03391	2.8
81.07057	6.8
83.04971	2.2
84.04498	1.1
85.02901	7.2
85.06512	1.5
89.03883	2.2
91.05474	58.7
93.07034	3.9
95.04969	5.3
95.08609	4.7
97.06499	1.6
98.97573	1.5
99.04449	3.7
99.08102	0.8
100.49255	1.0
102.05521	1.2
103.05441	2.5
105.03381	3.5
105.07026	4.6
107.01336	0.8
107.04940	1.9
107.08602	5.1
108.05721	1.2
109.06495	3.9
109.10126	3.2
111.04409	1.3
116.98593	2.0
118.04156	7.7
119.04937	61.8
119.08569	3.9
121.02839	3.1
121.06479	1.4
121.10120	2.9
123.04415	2.5
123.08044	3.3
123.11720	4.9
125.05966	2.3
126.75447	0.9
129.03369	1.4
131.04845	0.8
132.02065	4.3
133.02837	1.7
133.10139	1.8
134.99686	1.2
135.04411	3.1
135.08083	1.2
136.05194	2.1
137.05957	2.4
137.09615	2.0
139.11163	1.5
145.02777	1.5
145.10144	1.0
146.03535	1.5
146.04555	1.3
147.04402	52.2
147.11684	1.5
148.05066	1.4
149.02336	8.0
149.09604	3.6
151.03862	1.7
151.07504	1.3
151.11154	0.9
153.83244	1.0
157.03969	4.9
159.07912	1.0
159.19711	0.7
161.09558	1.2
161.13214	2.0
162.03085	1.5
163.03949	2.0
163.11150	3.0
164.04694	7.2
165.05420	1.2
167.07056	2.3
167.10652	1.1
169.10106	1.0
174.03127	1.8
175.03894	77.0
177.01811	2.6
179.03316	0.9
179.07016	6.1
179.10695	1.5
179.14311	1.1
180.04236	1.3
181.08662	5.4
181.12181	1.1
183.06531	1.6
189.12718	3.1
192.04166	30.4
193.04881	1.2
207.06514	100.0
207.13695	4.5
210.04219	1.5
225.03833	1.1
225.07394	1.1
225.12872	1.5
225.14835	3.3
226.06607	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0758
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03935	0.9
55.01863	1.2
55.05489	1.4
56.00086	0.6
56.96558	1.6
57.03434	0.9
57.07032	0.7
65.03931	4.2
67.05495	1.4
69.03420	1.2
69.07051	1.3
70.06584	0.9
71.04977	1.6
71.32607	1.5
77.03913	2.0
78.04694	0.6
79.05485	3.4
80.06282	0.8
81.03392	2.3
81.07056	1.8
83.04987	1.5
84.04488	0.9
84.08132	1.1
85.02901	2.1
89.03907	2.5
91.05480	58.3
93.07043	2.2
95.04991	4.2
95.08602	1.9
96.08137	1.2
97.02885	0.7
98.06046	7.7
98.97593	1.3
99.04437	1.2
103.05449	1.9
105.03383	2.3
105.07030	2.0
107.04949	2.2
107.08593	1.0
108.05682	0.9
109.02885	0.9
109.06516	1.3
109.10126	1.1
111.04489	0.7
116.98606	0.7
118.04164	6.5
119.01913	1.0
119.04942	56.2
119.08584	1.5
120.05283	1.0
121.02866	2.1
121.06499	1.5
121.10117	1.8
123.04417	2.5
123.08052	1.1
123.11684	1.8
124.07582	1.5
125.06012	1.4
129.03381	0.9
131.01912	1.0
131.04898	1.0
132.02074	4.2
133.02846	1.4
133.10100	0.7
134.03676	1.1
134.06015	0.8
135.04404	2.0
136.05200	3.3
137.05939	0.9
145.02827	1.9
145.10100	0.8
146.03621	2.3
147.04411	45.7
149.02339	10.4
149.09607	1.0
150.03131	0.9
151.07452	0.8
152.07077	4.2
153.05479	1.4
155.07004	1.2
157.03946	3.8
161.09630	0.9
161.13237	0.8
163.03839	1.5
163.11116	1.1
164.04684	5.2
165.05421	2.1
174.03076	1.5
175.03902	75.2
176.04362	1.5
177.01826	2.8
177.05481	1.0
179.03407	1.4
179.06947	5.3
179.08273	0.7
180.04124	0.7
180.06528	2.0
180.07999	0.8
182.05499	0.9
183.06519	1.8
189.12679	1.4
192.04172	24.9
207.06523	100.0
207.13901	1.4
225.07466	2.1
225.14908	1.7
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	Sepedonin
Peak:m/z	Relative Intensity
50.47966	0.7
50.66687	0.8
51.02375	1.1
53.03934	1.1
53.40187	0.8
55.01867	2.6
55.05508	3.5
56.70486	0.9
56.96562	3.2
57.03430	1.5
57.07066	1.9
65.03940	4.4
67.05504	3.0
68.99792	1.3
69.03422	2.3
69.07064	4.1
70.53393	3.0
71.04987	3.5
77.03935	1.5
79.05476	3.9
80.05044	1.4
81.03439	2.3
81.07037	7.4
83.04973	3.2
83.08603	2.3
85.02896	2.8
85.06534	2.3
86.09680	1.7
88.12844	1.0
89.03889	2.4
89.65678	1.0
91.05479	53.6
93.03446	1.1
93.07033	3.8
95.04955	4.9
95.08601	5.3
97.02854	1.1
97.06525	3.2
98.06004	1.0
98.97543	1.3
99.04447	5.0
102.05533	1.2
103.05482	1.7
105.03390	3.1
105.07036	5.3
107.04953	3.9
107.08589	3.8
108.05716	1.2
109.06524	4.4
109.10157	2.7
111.08075	2.5
113.06041	1.2
116.98643	1.4
118.04166	6.6
119.04942	55.2
119.08586	4.3
121.02888	2.3
121.06529	2.4
121.10154	4.2
122.03619	1.1
123.04409	2.8
123.08034	4.8
123.11684	1.3
125.05968	1.2
127.07558	1.9
129.03349	1.1
131.08562	1.5
132.02072	4.1
133.02840	1.6
134.99683	1.5
135.04408	3.6
135.08034	1.5
137.02460	1.0
137.05969	2.8
137.09616	2.7
141.07088	1.0
144.38326	0.9
145.02875	1.2
146.04527	1.4
147.04405	46.8
147.08051	1.4
147.11696	2.2
149.02339	7.9
149.09602	6.5
151.03914	2.7
151.07535	1.4
153.05428	1.6
155.07071	1.6
157.03986	3.4
161.01286	1.0
161.09659	1.3
161.13303	2.8
163.03918	4.3
163.11247	1.8
164.04671	5.1
165.05533	1.7
165.09117	1.0
165.12790	1.8
167.07008	1.2
169.10020	1.1
174.03142	1.7
175.03903	83.6
176.04375	0.9
177.01888	2.2
177.05440	1.3
179.03383	7.8
179.07033	4.0
179.10654	1.5
179.14357	2.0
180.04158	1.0
181.08559	1.0
183.06555	2.2
183.13983	1.1
189.12762	3.0
191.05273	1.7
192.04163	28.5
193.04784	1.2
197.06013	1.5
201.16118	1.0
207.02950	4.7
207.06519	100.0
207.13837	3.9
210.04199	4.7
225.06769	2.7
225.09128	1.4
225.12878	1.6
225.14825	5.5
247.10956	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0756
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
51.75637	0.7
53.03938	0.7
55.01862	0.9
55.05495	1.1
60.82107	0.6
62.57592	0.6
65.03944	3.4
67.05503	1.0
69.07044	0.8
71.04967	1.0
77.03921	1.6
79.05499	1.5
81.07045	2.4
83.04972	1.2
85.02895	0.8
89.03898	1.6
91.05477	48.2
93.07026	1.9
95.04942	2.7
95.08595	2.1
97.06542	0.9
99.04437	1.3
103.05430	1.6
105.03371	1.5
105.07006	1.7
106.82796	0.7
107.04870	1.1
107.08617	0.8
109.06528	2.1
118.04169	6.5
119.04937	53.6
119.08582	1.2
119.19212	0.8
121.02869	2.2
121.10145	2.2
122.03635	1.1
123.04415	1.4
123.08076	1.6
123.11710	1.4
124.03969	0.9
125.05983	0.8
129.03342	0.8
131.04935	0.9
132.02081	3.1
133.02826	1.4
133.10117	1.3
135.04391	1.8
135.08060	0.8
136.05196	2.0
137.05995	1.2
145.02840	1.7
145.10190	0.7
146.03603	1.7
147.04399	44.7
147.11688	1.0
149.02338	7.5
149.09633	1.5
149.10747	0.7
151.07565	0.7
152.18648	0.6
153.05426	1.9
155.07034	0.7
155.08557	0.8
157.04033	3.5
163.03922	1.6
163.11156	1.1
164.04715	5.5
165.12808	0.8
167.07175	0.7
174.03166	1.4
175.03902	76.2
176.04286	1.0
177.01817	2.5
179.07008	3.9
181.08624	0.9
183.06567	1.9
183.11783	0.9
189.12753	1.4
192.04172	25.0
193.04701	1.0
207.06519	100.0
207.13742	1.4
208.06882	2.0
225.12738	1.2
225.14677	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.8
56.96550	0.7
60.24072	0.5
63.19852	0.5
69.07056	0.5
71.24211	1.0
71.34671	0.4
77.57114	0.4
83.04974	0.5
84.73492	0.4
84.96011	0.7
90.42835	0.4
95.08597	0.6
97.20171	0.4
101.00857	5.6
105.07054	0.5
114.85030	0.4
116.98652	0.9
118.03512	0.7
119.01908	56.7
120.01990	2.2
124.02491	0.4
131.36067	0.4
133.03487	0.5
134.99849	3.0
136.04517	0.5
137.02943	30.0
138.03027	1.3
140.98833	0.9
142.03476	5.7
145.98581	0.4
153.00943	4.7
157.03545	0.5
158.99866	3.4
159.06160	0.5
160.04568	3.0
161.02946	1.6
164.53966	0.4
165.99573	0.6
171.82942	0.5
175.02957	0.7
177.00938	100.0
178.01035	9.7
178.03853	0.4
179.00615	2.6
179.03966	3.0
180.00749	0.4
182.99898	1.5
183.06137	1.0
184.04478	1.3
184.06055	0.5
185.23552	0.5
193.04149	2.2
195.01996	3.0
200.02519	1.3
201.00862	3.8
201.02538	1.0
201.07268	1.0
202.00854	0.7
202.02551	0.7
202.05516	1.1
217.04073	9.5
218.03888	1.2
219.01984	81.9
219.94345	0.5
220.02094	15.6
221.01755	2.3
225.00818	4.4
237.03069	0.8
242.03528	2.4
243.01917	12.2
243.04207	0.8
243.10735	0.5
244.02029	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.7
55.01861	2.7
55.05264	1.6
55.05508	21.0
56.05018	2.5
56.96558	9.7
57.03423	4.7
57.07059	5.1
57.43875	1.2
60.04506	3.2
62.06086	30.9
65.03930	3.0
67.05501	49.1
68.99779	4.3
69.03416	4.8
69.06728	2.4
69.07066	25.9
70.06580	2.9
71.04971	4.7
71.58923	2.4
72.08136	3.0
74.06062	6.7
79.05489	88.3
80.05003	1.9
81.03423	8.0
81.07055	47.5
82.02917	1.9
82.07378	1.8
83.04976	4.7
83.08608	2.3
84.04498	2.4
84.08136	2.0
84.95993	1.3
85.02879	5.4
85.06538	1.6
87.04454	1.8
89.03928	1.9
91.05477	68.6
93.03339	1.7
93.07040	100.0
94.07324	1.9
95.04967	36.8
95.08595	4.3
96.04462	1.5
97.02861	2.9
97.06507	2.8
98.06012	2.5
98.97568	4.8
99.04433	1.7
100.07600	1.5
103.05473	6.3
105.03400	2.1
105.04523	1.5
105.07025	35.2
107.04951	34.3
107.08588	47.5
109.02888	1.9
109.06513	50.4
110.06033	1.4
110.07001	1.8
110.09663	2.1
111.04467	1.5
114.09153	1.4
115.05444	2.6
116.97780	1.2
116.98595	5.9
117.07021	24.1
119.01921	1.7
119.04916	2.9
119.07791	2.0
119.08563	22.7
120.08082	1.7
121.05641	2.6
121.06499	47.3
121.10114	4.7
122.17671	1.3
123.04395	2.6
123.08054	2.0
126.09158	2.4
127.03932	1.5
129.06978	3.4
130.07788	8.8
133.10126	7.5
134.99625	3.8
135.04381	1.9
135.08043	4.6
135.11681	46.5
136.07507	1.4
139.00221	6.3
141.11443	3.1
142.12254	6.9
143.00117	1.9
143.08530	3.5
145.02777	2.3
145.10112	64.9
147.04393	3.3
147.08057	1.4
149.05949	3.2
151.03865	2.6
154.08665	2.4
160.11905	1.4
161.01233	3.6
163.03989	1.7
163.09850	2.4
163.11172	32.1
164.04604	1.4
165.05531	1.4
167.55675	1.5
174.03033	1.5
175.03969	2.9
177.00656	2.6
177.05437	4.6
179.03392	39.5
192.03938	2.8
201.00740	1.8
206.08110	2.0
206.12518	1.6
206.15358	5.4
207.02899	17.9
207.06487	4.6
209.04088	2.0
213.24371	1.3
214.24257	1.4
224.03207	3.1
224.06691	2.8
224.09109	2.8
224.13152	3.1
224.16431	57.6
225.03957	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	223.133
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
53.03929	2.9
55.01852	2.5
55.05506	11.7
55.69808	0.8
56.00808	0.9
56.96560	5.3
57.03422	2.5
57.07055	2.0
59.04995	1.2
61.02908	1.0
65.03932	2.2
65.26882	0.8
67.05507	11.1
69.03426	5.2
69.07068	5.3
69.07391	1.0
69.68258	6.6
71.04989	12.0
72.08096	1.1
73.02895	1.2
79.05062	1.4
79.05489	20.2
81.03407	6.5
81.07051	18.2
82.02915	1.1
83.04979	11.2
83.08600	3.9
84.08125	2.0
85.02882	3.4
85.06550	6.0
87.04469	1.1
89.18538	0.8
91.04898	0.9
91.05477	25.7
93.07043	29.3
95.04967	12.4
95.08601	14.2
96.04456	2.6
97.02875	2.2
97.06529	6.5
98.97578	2.4
99.04458	4.1
103.05473	2.3
105.03401	1.0
105.07027	54.7
106.07379	1.3
107.04945	6.6
107.08594	48.2
109.02878	2.2
109.06505	10.7
109.10143	3.4
111.04456	1.9
111.08075	23.2
113.05966	1.7
115.05436	1.9
116.98607	2.4
117.07013	23.3
119.08579	55.8
120.08113	6.5
121.02855	1.9
121.06510	10.1
121.10140	9.1
123.08052	7.8
125.05970	2.3
125.09589	2.2
128.02365	0.9
128.06218	1.5
129.07002	8.5
130.07814	4.2
131.08565	24.8
133.06462	2.6
133.10133	11.4
134.99651	2.1
135.04417	2.2
135.08058	13.9
135.11694	12.1
137.05978	2.6
137.09604	8.5
139.07524	3.4
141.06964	1.4
142.07762	2.5
143.08578	4.8
144.09302	6.1
145.06473	3.8
145.10121	29.7
146.99652	1.3
147.04372	1.0
147.06918	1.7
147.08043	28.7
147.11679	20.9
149.02338	4.3
149.05962	1.5
149.09619	13.1
149.13281	7.2
151.07565	6.9
151.11139	1.7
153.09116	8.3
153.12752	1.2
154.07758	1.2
157.10123	10.4
158.99625	2.2
159.11693	72.6
160.12044	2.1
161.01100	1.2
161.09598	3.2
161.13225	1.7
162.03168	2.5
163.03888	3.0
163.07510	2.4
163.11183	12.2
165.09123	7.7
165.12729	5.9
166.08658	1.7
167.05661	1.5
167.07007	1.9
167.10606	1.4
169.10123	3.0
175.11177	16.3
177.00706	3.6
177.05624	1.0
177.07564	0.9
177.09119	3.2
177.12758	23.3
179.10699	1.2
181.05017	1.1
181.08559	1.8
181.12204	3.1
187.11176	11.6
190.02516	1.3
191.03624	1.1
193.12247	11.0
195.08076	1.4
195.13786	2.9
202.06709	1.2
205.12231	64.4
208.01910	1.4
208.03659	20.9
223.05971	23.6
223.11391	3.7
223.13278	100.0
223.16907	8.3
224.13527	1.7
225.04326	2.8
227.02176	1.6
244.59525	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2054
Annotation	(2E,6E)-Farnesol
Peak:m/z	Relative Intensity
50.75524	1.7
55.01847	2.7
55.05504	45.2
56.05815	1.8
56.96560	3.9
57.03418	2.7
57.07072	22.2
64.43966	1.6
67.05170	2.6
67.05498	32.2
67.05858	1.5
69.03405	3.4
69.07061	100.0
70.11673	8.2
70.47801	1.6
71.04994	16.5
71.08603	7.0
74.02450	1.6
75.43307	1.6
79.05478	15.9
81.07047	53.6
83.04955	6.7
83.08612	55.3
85.06541	30.9
85.10152	5.7
91.05461	8.9
93.06472	3.0
93.07031	55.1
93.32176	2.2
95.04950	6.4
95.08595	70.9
97.06505	7.7
97.10164	21.1
99.08060	5.3
105.07014	7.0
107.08581	79.2
109.06475	3.8
109.10145	69.8
111.08069	19.8
111.11693	5.6
113.09618	2.7
119.08518	4.1
121.10130	60.4
123.08018	4.0
123.11690	58.9
125.09600	6.0
127.11203	2.0
130.66679	1.9
131.08578	1.8
135.11681	35.7
137.13231	24.8
139.11177	5.5
139.14847	8.2
149.02319	3.5
149.13243	39.2
151.14795	7.5
153.12698	4.6
163.03824	2.1
163.14784	18.1
165.16339	5.8
167.05519	2.7
167.08466	1.8
167.14278	16.4
177.00586	2.5
177.16377	7.8
179.17934	13.2
181.15816	3.8
205.12215	2.7
205.19493	28.4
208.03635	11.0
223.05936	12.5
223.11081	1.7
223.13263	6.1
223.16908	6.6
223.20540	77.2
224.20786	2.2
225.04330	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67764	1.3
53.03948	6.4
55.01867	3.2
55.05511	18.9
56.05007	2.6
56.96552	3.5
57.03420	5.4
57.07064	6.1
60.04520	1.4
60.28088	1.3
62.05779	2.1
62.06084	30.9
65.03925	3.4
67.05499	45.8
68.05037	1.3
69.03397	2.5
69.07069	21.1
69.28102	2.8
69.28513	11.9
70.06570	2.5
71.04979	4.5
72.04520	2.0
74.06072	5.4
77.19681	1.2
78.13322	1.3
79.05489	85.9
80.05022	1.7
81.03398	4.7
81.07050	44.7
82.06593	1.4
83.04976	5.1
83.08625	2.0
84.08121	1.6
84.61397	1.3
84.96005	1.3
85.02883	3.0
85.06560	1.6
88.55612	1.1
89.03893	1.5
91.05477	55.1
92.01295	1.3
93.07040	100.0
95.04965	39.4
95.08581	5.6
95.29346	1.2
97.02892	1.5
97.06514	2.0
98.97593	2.2
99.04475	1.7
103.05486	6.0
105.07027	31.0
107.04278	2.5
107.04955	31.7
107.08594	40.3
107.94551	1.3
108.08196	1.9
109.05779	2.6
109.06516	41.2
109.10130	1.9
111.16262	1.4
115.05423	2.3
116.06210	1.7
117.07021	22.4
118.06503	1.2
119.01939	2.4
119.04939	2.6
119.08579	16.6
121.06504	49.3
121.10149	6.7
126.09085	1.8
128.06197	2.6
129.06976	2.3
130.07782	8.5
133.10115	7.8
135.04427	1.9
135.08037	5.3
135.11685	47.5
136.07567	1.3
138.05481	1.3
141.11485	3.3
142.12280	4.6
143.08566	4.9
145.10118	63.4
145.11285	3.0
154.08672	2.0
161.01215	3.3
163.03925	1.8
163.11177	32.4
175.03908	3.6
177.00684	2.1
177.05478	3.2
178.04723	1.3
179.03401	10.7
192.04062	1.5
194.50797	1.2
206.15472	6.3
207.02873	5.8
207.06561	3.5
209.03889	2.3
224.06519	4.4
224.09195	2.6
224.16451	56.4
225.03931	3.4
225.14690	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.03942	4.8
53.62188	2.1
55.01865	5.8
55.05512	24.8
56.96559	17.1
57.03434	4.8
57.07052	4.6
59.05003	5.2
61.02919	2.8
65.03929	3.0
67.05493	16.5
69.03428	16.2
69.07068	12.5
69.77290	14.7
70.06593	5.9
71.04989	5.2
72.25285	2.1
73.02898	3.1
79.05492	19.6
81.03410	10.9
81.07056	16.4
82.02917	3.5
83.04973	20.2
83.08620	6.5
84.04489	3.3
84.08129	4.5
84.96033	2.1
85.02906	16.1
85.06533	5.3
86.09703	2.4
87.04488	2.3
88.85625	2.1
91.05470	19.9
93.07040	42.8
94.06577	3.1
95.04969	19.9
95.08596	17.5
96.04498	2.6
97.02889	5.8
97.06529	6.0
97.10189	6.0
98.21469	2.8
98.97565	16.6
103.05437	4.0
105.07036	25.7
107.04938	11.3
107.08598	28.6
109.02879	4.5
109.06525	26.4
109.10154	7.2
111.04411	3.0
111.05556	2.2
111.08078	11.3
113.06007	7.1
115.05439	4.1
116.65202	2.1
116.98608	19.7
117.07021	9.5
119.01801	3.1
119.04911	2.7
119.08575	19.2
120.08110	2.4
121.02883	2.4
121.06501	52.9
121.10129	21.2
123.04488	3.5
123.08064	12.1
123.08908	2.0
123.11675	2.2
125.05990	4.4
125.09599	4.2
128.98553	4.3
129.10266	2.5
131.04903	2.6
131.08556	8.3
133.10112	20.3
134.99648	11.4
135.04399	4.0
135.08054	27.5
135.11693	9.7
136.07617	3.2
137.05881	2.6
137.09590	13.6
139.03891	4.1
139.07539	8.0
141.06953	2.5
141.09032	2.7
143.08539	4.8
144.09320	5.1
145.06493	2.4
145.10153	11.9
146.99702	3.0
147.08058	6.5
149.02336	5.8
149.05994	7.5
149.09612	100.0
149.13269	5.0
151.11169	4.2
153.09146	3.3
155.53017	2.6
158.99680	10.5
159.08089	3.6
159.11665	20.0
161.01213	4.0
161.09610	16.0
162.03235	2.6
163.03941	5.8
163.07501	4.1
163.11194	24.9
165.06831	2.8
165.09087	12.9
167.05736	3.5
167.07056	7.2
168.05498	2.9
169.06311	2.9
172.08791	4.1
173.01134	2.5
175.11250	2.4
177.00691	15.3
177.12735	26.6
179.10660	17.0
181.09818	2.5
181.12207	4.1
182.11224	2.1
187.11140	15.6
189.05914	3.0
190.02568	3.6
191.05875	2.9
195.13844	3.2
202.06871	2.4
203.05751	3.5
203.07565	3.5
205.12231	43.5
208.03670	17.1
219.01773	3.7
223.02428	4.0
223.05896	27.4
223.07866	3.4
223.09564	4.3
223.11354	2.8
223.13322	55.6
223.16769	18.2
224.06627	3.8
224.16524	4.6
225.04367	6.2
227.02251	2.4
237.02736	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	223.1077
Annotation	N5-Phenyl-L-glutamine
Peak:m/z	Relative Intensity
55.01877	3.1
55.05505	2.4
56.05027	2.1
56.96561	4.5
57.07066	2.3
61.49415	1.4
65.03906	1.6
66.81341	1.7
67.05495	3.8
68.05029	3.8
69.03406	4.4
69.07077	2.0
70.06578	5.4
71.04990	2.5
71.59106	1.9
71.69166	1.8
72.08157	3.3
73.02935	1.8
74.02444	11.9
78.30280	1.4
79.05490	7.1
80.05014	4.4
81.03428	7.5
81.07030	4.6
82.02946	8.5
82.06585	2.7
83.04991	7.8
83.06087	1.7
84.04504	2.5
84.08137	12.5
85.02893	2.0
86.09689	4.4
88.03983	4.0
91.05479	16.2
93.07039	5.0
94.06561	8.6
95.04971	5.4
95.06086	1.8
95.08604	3.8
96.04494	12.6
97.02872	4.1
97.06540	2.0
98.97602	2.1
103.05443	3.9
105.07023	12.5
106.06536	8.9
107.04940	4.4
107.06068	1.6
107.08591	3.4
108.08119	3.2
109.06509	2.5
109.10098	2.3
111.05587	2.1
111.08070	6.5
115.05431	10.3
116.98620	2.2
117.05721	7.5
117.07018	3.6
118.06540	100.0
119.04929	6.8
119.07317	14.3
119.08599	4.0
120.08109	24.5
121.02876	1.8
121.06478	4.8
121.10118	3.2
122.06015	7.1
123.04463	1.9
123.08065	2.0
125.09670	1.6
129.10252	3.9
130.06514	2.1
132.04411	2.6
132.08084	54.4
133.06485	3.6
134.06053	7.9
134.09689	2.0
134.99603	2.2
135.05524	4.5
135.08107	3.5
135.09171	7.4
135.11655	1.8
136.07588	8.4
137.05952	1.8
137.09613	2.8
139.07533	2.0
142.06499	6.5
146.06001	5.6
147.04422	2.0
147.08054	3.3
148.07602	2.5
149.02336	4.5
149.05978	2.8
149.07164	3.3
149.08325	9.3
149.09473	2.3
150.05515	5.7
150.09177	3.9
151.08644	2.1
159.09178	57.3
159.11600	3.4
160.03912	2.5
160.07587	42.4
161.05927	2.6
161.07109	2.2
162.09145	7.2
163.03938	3.2
163.08636	8.1
163.11160	4.4
164.07089	9.2
164.08232	1.6
165.09117	2.8
166.08621	4.2
167.05653	3.9
167.10674	2.1
177.00668	1.7
177.06726	8.4
177.10229	98.4
177.12778	4.5
178.04982	3.5
178.08617	21.9
182.07962	1.8
188.07114	2.1
190.00938	2.5
195.08066	1.7
205.09740	7.3
205.12212	4.6
206.08112	15.8
208.03754	7.8
208.05406	1.5
223.04172	5.2
223.06070	8.3
223.07344	6.1
223.10814	37.1
223.13309	5.9
223.16855	15.2
223.20500	1.7
225.04298	9.6
227.02328	4.0
235.99915	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1077
Annotation	N5-Phenyl-L-glutamine
Peak:m/z	Relative Intensity
53.03938	1.6
53.66357	0.6
55.01855	1.0
55.05507	2.0
56.05031	3.8
56.96556	3.8
57.03437	1.2
57.07067	1.6
59.04989	0.7
65.03941	0.7
67.05505	2.5
69.03426	2.2
69.07063	1.5
70.06583	2.3
70.98424	1.4
71.05002	1.2
72.08147	2.2
77.03927	0.7
79.05499	3.6
80.05008	0.6
81.03404	2.4
81.07035	3.0
82.06582	0.8
83.04984	4.1
84.04500	100.0
84.08132	1.1
85.02905	4.6
85.06561	0.7
86.09711	2.1
86.62077	0.5
91.05460	2.7
92.05002	1.2
93.05783	0.8
93.07053	3.8
94.06563	93.2
95.04951	4.4
95.06052	0.7
95.06923	1.1
95.08613	2.5
96.04487	1.4
97.02889	1.5
97.06539	1.3
98.97596	2.2
99.04478	1.1
101.02419	0.8
102.05547	2.1
103.05450	0.6
105.04487	0.8
105.07037	2.0
106.06564	1.1
107.04949	2.8
107.08587	3.3
109.02882	1.0
109.06506	0.9
109.07624	0.7
109.10174	1.1
110.03527	0.7
111.04452	0.9
111.08079	3.1
111.81527	0.6
116.98624	1.4
117.07036	1.1
119.08578	2.3
120.04472	1.0
120.08099	4.2
121.02823	0.9
121.06516	1.8
121.10133	1.5
123.04408	1.1
123.08059	1.1
123.11710	1.1
124.07532	0.7
124.61804	0.7
125.09591	0.9
128.02315	0.6
130.04993	29.7
131.08589	1.6
133.02858	0.8
133.06476	0.7
133.10182	0.9
134.99664	1.5
135.04420	2.0
135.08054	1.4
135.11705	1.8
137.09625	1.2
139.03912	0.8
139.07527	2.3
139.08664	0.6
145.06541	0.7
145.10025	0.5
149.02362	2.2
149.05988	2.0
149.09579	0.7
149.13252	0.8
150.05536	0.9
151.03897	0.6
151.07574	0.8
151.72229	0.6
158.99651	1.4
159.07988	0.8
159.09152	1.6
159.11679	2.1
160.04015	0.7
160.07549	1.2
161.09589	0.8
162.03163	0.8
163.03897	2.3
163.07462	1.0
163.11153	1.2
165.09102	1.4
166.08664	1.0
167.05698	1.1
167.06985	0.8
167.83488	0.6
177.00691	1.7
177.10245	1.9
177.12738	2.6
178.08705	1.3
179.10664	2.0
181.10428	0.5
181.12207	1.1
187.11215	1.1
190.02580	0.9
193.12204	0.7
194.07037	2.8
195.07990	0.6
205.10504	0.8
205.12163	4.2
206.08118	14.2
207.02933	1.3
208.03670	3.8
219.01736	0.9
221.72330	0.6
223.05884	7.7
223.07794	1.1
223.10886	4.3
223.13295	16.5
223.16743	5.5
223.20438	0.9
225.04323	2.4
226.75652	0.7
227.02385	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0601
Annotation	K 251-1
Peak:m/z	Relative Intensity
55.01870	0.2
55.05503	0.2
61.37954	0.1
65.07170	0.2
66.03090	0.1
67.05466	0.2
68.99783	0.3
69.03415	0.5
69.07076	0.3
69.55200	0.7
69.55619	0.4
78.04683	0.2
79.05471	0.3
81.03381	0.1
81.07057	0.3
82.04173	0.3
85.02874	0.4
93.07008	0.6
95.01309	0.3
95.04945	0.1
95.08591	0.3
96.45449	0.1
97.02835	0.3
98.21539	0.3
105.07009	0.3
107.08561	0.4
109.10159	0.3
110.03640	0.8
111.08059	0.2
117.07078	0.2
120.08115	2.5
121.02866	0.2
121.10115	0.2
122.03615	0.6
124.05193	0.3
134.03644	0.8
135.11664	0.3
137.02298	0.2
151.03883	0.7
162.03127	1.5
163.03902	0.2
163.07489	0.2
163.11203	0.3
166.91847	0.1
168.00510	0.6
177.05464	0.6
177.12718	0.3
179.03340	1.2
179.08537	0.2
180.04178	2.4
186.01585	0.6
205.04961	0.2
205.12270	0.2
207.02893	0.7
208.03658	100.0
209.03999	2.2
223.06000	66.2
223.16960	0.4
224.06342	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.06
Annotation	7,8-Dimethoxy-6-hydroxycoumarin
Peak:m/z	Relative Intensity
55.05488	0.5
56.96548	0.4
57.03389	0.2
57.07051	0.3
67.05507	0.9
68.99795	0.4
69.03404	0.7
69.07079	0.4
69.55677	1.3
71.04982	0.4
79.05495	0.8
81.03393	0.2
81.07043	1.3
82.04183	0.2
83.04951	0.5
83.08614	0.4
85.02898	0.3
85.06519	0.2
85.56539	0.2
91.05469	0.5
93.07036	1.0
95.01348	0.2
95.04947	0.7
95.08585	1.2
97.02868	0.4
97.06523	0.4
97.10146	0.3
98.97556	0.3
105.07012	0.7
107.04958	0.3
107.08580	1.3
109.06477	0.5
109.10119	0.4
110.03630	0.4
111.04396	0.3
111.08095	0.4
116.98653	0.2
117.06976	0.3
119.08578	0.8
121.06470	0.5
121.10117	0.8
122.03622	0.4
123.00781	2.4
123.08052	0.3
123.11692	0.3
125.09552	0.2
131.08510	0.3
133.10074	0.2
134.03618	0.5
135.04375	0.2
135.08060	0.4
135.11665	0.4
139.07556	0.2
141.01810	0.4
141.88127	0.2
145.10112	0.4
147.11632	0.2
149.02286	0.3
149.05865	0.3
149.09656	0.2
149.13234	0.2
151.03839	0.3
159.11708	0.4
162.01662	0.1
162.03027	0.8
163.03897	0.7
163.11137	0.6
165.09006	0.3
167.07022	0.2
167.10643	0.2
168.00504	0.4
177.00636	0.4
177.05385	0.6
177.09183	0.2
177.12718	0.5
179.03366	0.6
180.04190	1.5
181.12231	0.3
186.01506	0.3
187.11191	0.3
187.14919	0.2
190.02661	0.3
191.03401	1.7
205.04739	0.2
205.12241	0.7
205.15851	0.4
207.02907	0.3
208.03658	48.0
209.04033	1.0
223.05998	100.0
223.16838	1.2
224.06342	2.0
225.04294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1077
Annotation	Phe-gly
Peak:m/z	Relative Intensity
55.01848	0.3
55.05494	0.6
56.05007	0.3
56.96551	0.8
57.03421	0.2
57.07072	0.7
65.03925	0.4
67.05502	0.5
68.05011	0.3
69.03423	0.8
70.06585	0.7
71.19771	0.4
71.20086	0.4
72.08160	0.4
73.02904	0.3
79.05488	1.4
81.03425	0.9
81.07040	0.8
82.02940	1.0
83.04987	1.1
83.06098	0.2
84.04487	0.3
84.08160	0.5
85.02900	0.4
91.05440	1.3
93.07036	2.0
94.06567	0.7
95.04966	0.9
95.08620	0.8
96.04502	1.5
97.06545	0.4
98.97574	0.3
103.05464	4.0
105.07004	0.5
106.06546	0.4
107.04984	1.9
107.08595	0.7
109.06511	0.3
109.07661	0.3
111.08079	0.9
112.72286	0.3
116.98643	0.2
117.06982	0.3
119.04916	0.3
119.08543	0.3
120.08106	100.0
121.02876	0.5
121.06510	0.8
121.08453	1.2
121.10139	0.3
122.06032	0.4
123.08027	0.3
129.10268	0.3
131.04936	1.9
131.08511	0.3
132.08131	0.3
134.99663	0.3
135.04448	0.4
135.07993	0.5
135.11694	0.5
137.09607	0.4
139.07558	0.6
145.10146	0.3
149.02328	1.0
149.05997	1.7
149.07036	0.4
150.05515	0.7
159.11661	0.4
163.03909	0.5
163.11240	0.6
164.07021	0.3
165.09120	0.3
166.08640	30.3
167.05605	0.5
167.07027	0.4
167.08987	0.3
167.29192	0.3
177.00739	0.4
177.05380	0.5
177.10234	9.4
177.12785	0.9
185.57950	0.3
187.11215	0.5
194.82382	0.3
195.13663	0.3
197.41849	0.2
201.00812	0.3
205.09850	0.3
205.12245	0.9
208.03699	0.9
223.05762	2.0
223.10886	2.1
223.13321	1.3
223.16916	2.5
225.04289	1.6
227.02151	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.06
Annotation	K 251-1
Peak:m/z	Relative Intensity
53.03942	0.2
55.01870	0.1
55.05485	0.3
56.96560	0.2
63.99809	0.1
64.61478	0.1
66.04710	0.2
67.05502	0.1
68.99753	0.5
69.03416	0.6
69.07055	0.2
70.00602	0.1
71.18329	0.2
78.04723	0.3
79.05483	0.3
81.03397	0.1
81.07070	0.2
82.04192	0.3
83.04982	0.3
83.08617	0.3
84.08136	0.2
85.02905	0.5
91.05488	0.2
93.07039	0.3
95.01328	0.2
95.04956	0.3
95.08569	0.2
97.02882	0.3
97.06586	0.1
99.08049	0.1
105.07047	0.1
106.04143	0.2
107.04962	0.2
107.08588	0.3
109.06484	0.3
110.03636	0.4
111.04475	0.3
111.08092	0.2
116.98647	0.2
117.06978	0.2
119.08624	0.1
120.08092	0.1
121.02847	0.2
121.06503	0.2
122.03644	0.8
124.05201	0.2
129.05360	0.1
134.03627	0.5
135.04436	0.2
135.08052	0.1
135.11720	0.2
135.90903	0.1
137.02397	0.1
137.09557	0.1
139.07420	0.1
140.01018	0.2
147.04324	0.1
149.05942	0.2
151.03835	0.5
159.11653	0.2
162.03136	1.6
163.03880	0.3
163.11201	0.2
165.09019	0.1
166.02585	0.2
168.00519	0.6
169.01303	0.1
171.02853	0.2
177.05472	0.7
177.12749	0.3
179.03362	1.1
180.04176	2.3
181.12140	0.1
183.02890	0.1
186.01561	0.8
190.02609	0.3
197.41864	0.1
205.04922	0.3
205.12238	0.3
207.02867	0.6
208.03659	100.0
209.04001	2.1
210.67366	0.1
222.01639	0.2
223.06003	64.9
223.16983	0.5
224.06377	1.6
225.04378	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0599
Annotation	K 251-1
Peak:m/z	Relative Intensity
52.63628	0.2
53.03950	0.2
55.01874	0.4
55.05509	1.4
55.30154	0.2
56.96554	1.4
57.03426	0.5
57.07066	0.4
59.04977	0.2
62.38961	0.2
66.92693	0.2
67.05508	1.2
68.99803	0.3
69.03428	1.1
69.07057	1.2
70.05955	0.5
70.06340	0.4
70.06605	0.5
71.04983	0.9
78.04688	0.4
79.05476	1.3
81.03404	0.9
81.07053	1.7
82.02912	0.3
82.04177	0.4
83.04996	1.0
83.08610	0.4
84.04498	0.2
84.08128	0.3
85.02905	1.3
85.06523	0.2
86.44058	0.2
91.05477	1.8
93.07038	2.4
95.01296	0.3
95.04953	1.1
95.08617	1.1
96.04461	0.4
97.02883	0.8
97.06521	0.8
98.97576	1.7
99.04455	0.8
105.07022	1.5
106.04150	0.3
106.06531	0.2
107.04939	1.3
107.08591	2.0
109.02908	0.4
109.06522	0.9
109.10120	0.5
110.03650	0.9
111.04436	0.6
111.08096	0.9
113.06073	0.2
115.03983	0.2
115.05437	0.2
116.98627	1.8
117.07001	0.9
119.08573	1.4
120.08130	0.6
121.02863	0.3
121.06501	1.7
121.10143	0.8
122.03638	0.3
123.04428	0.4
123.08087	0.9
124.05173	0.4
125.09581	0.3
127.03976	0.2
131.08546	0.8
133.10191	0.9
134.03622	0.9
134.99661	1.1
135.04361	0.7
135.08054	1.0
135.11676	0.9
137.02301	0.3
137.05919	0.2
137.09567	0.6
139.07536	0.6
143.00084	0.2
143.08592	0.2
145.06526	0.4
145.10095	1.0
147.04417	0.2
147.08049	0.7
147.11705	0.4
149.02345	0.8
149.05974	0.5
149.09584	0.5
149.13240	0.4
150.00760	0.2
151.03882	0.6
151.11166	0.3
153.08995	0.2
154.03833	0.3
158.99623	0.8
159.11696	1.3
160.02731	0.3
161.09602	0.2
162.03085	1.5
163.03894	1.2
163.07520	0.4
163.11150	1.4
165.09071	0.9
167.05624	0.5
167.06967	0.5
168.00491	0.5
169.06245	0.3
175.11157	0.4
177.00731	1.6
177.05380	1.0
177.12729	0.9
179.03403	1.2
180.04137	2.4
186.01579	0.8
187.11211	0.6
190.02631	0.7
190.06804	0.2
191.03378	0.8
195.01633	0.3
195.06474	0.2
200.04924	0.2
205.04965	0.5
205.08536	0.3
205.12231	1.5
207.02872	0.8
208.03656	100.0
208.44844	0.2
209.03946	2.3
211.07114	0.2
212.08154	0.4
214.08662	0.4
223.05997	71.4
223.13193	2.4
223.16931	1.7
224.06348	1.9
225.04247	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03943	1.5
55.05512	12.0
57.07071	3.7
59.04983	1.7
65.03954	1.7
67.05501	8.8
69.07069	11.4
69.39793	9.9
71.04995	23.1
79.05494	14.3
81.07057	53.5
83.04987	1.8
83.08611	5.0
85.06538	1.8
87.43367	1.1
91.05466	9.5
93.07048	29.8
95.04965	2.0
95.08609	24.6
97.06519	2.7
97.10147	2.8
99.08109	3.6
105.04612	1.1
105.07039	23.8
107.08593	56.9
109.06500	2.3
109.10167	18.1
111.08084	1.8
113.09605	2.2
119.08578	37.4
121.10138	10.8
123.08024	2.3
123.11708	15.6
127.11175	4.9
127.94547	1.2
131.08559	1.2
133.10132	20.6
135.11696	100.0
137.09610	3.6
137.13300	2.1
145.10178	2.5
147.11699	19.4
149.13234	6.6
151.11208	2.2
157.10188	1.4
159.11705	2.0
160.05176	1.2
161.05994	1.8
161.13260	12.0
163.14799	5.6
165.12781	3.0
175.14848	3.7
177.16422	2.6
203.17958	35.9
221.07988	1.1
221.15440	2.6
221.19023	46.1
221.21500	1.7
221.22083	2.5
222.19360	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0011
Annotation	Unknow
Peak:m/z	Relative Intensity
63.21927	0.3
63.71893	0.3
64.83155	0.3
68.49194	0.3
70.83352	1.1
71.35957	0.3
95.74915	0.3
101.00845	0.5
119.01904	2.3
120.95409	0.6
137.02893	0.6
138.96356	3.9
143.84964	0.3
156.97467	65.0
157.97552	1.7
174.98524	100.0
175.98596	2.9
176.99049	0.5
179.99071	2.7
180.97400	0.7
182.11476	0.4
195.09055	0.4
198.00082	2.4
198.98521	22.9
216.99573	65.5
217.99654	1.7
222.00145	0.7
240.01151	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0595
Annotation	K 251-1
Peak:m/z	Relative Intensity
55.05512	0.2
66.10728	0.1
67.05515	0.2
68.99792	0.3
69.03430	0.6
70.65509	0.5
71.04977	0.2
78.04716	0.2
79.05484	0.2
80.45839	0.1
81.03399	0.2
81.07063	0.5
82.04189	0.3
83.04990	0.3
83.08617	0.6
84.91054	0.2
85.02882	0.3
88.30093	0.2
91.05480	0.3
93.07042	0.4
95.01322	0.3
95.04947	0.2
95.08586	0.3
97.02900	0.4
97.06535	0.2
105.07029	0.2
107.08612	0.8
109.06532	0.2
109.68415	0.1
110.03631	0.7
111.04469	0.2
119.08575	0.3
121.06535	0.2
121.10133	0.5
122.03633	0.7
123.08072	0.2
124.05211	0.2
125.09594	0.3
134.03613	0.7
135.08012	0.2
137.02344	0.4
140.00996	0.2
145.10085	0.2
151.03891	0.6
159.11629	0.3
162.03139	1.4
163.03952	0.3
163.11168	0.4
165.09102	0.2
166.02505	0.2
168.00555	0.6
177.00771	0.2
177.05450	0.8
177.12741	0.3
179.03360	1.2
180.04166	2.3
181.12144	0.2
186.01576	0.6
191.03413	0.3
205.12163	0.3
207.02849	0.5
208.03648	100.0
209.04008	2.2
218.65088	0.2
222.01614	0.3
223.05989	61.4
223.16939	0.4
224.06300	1.4
228.14915	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05510	19.3
55.86399	1.9
56.61670	2.4
56.96550	5.8
57.03425	3.7
57.07064	7.9
59.04979	3.0
67.05500	31.1
69.06716	3.3
69.07067	40.3
70.78009	6.7
71.04978	5.2
79.05497	17.4
79.19729	2.0
81.06572	4.4
81.07053	78.0
83.04974	2.7
83.08614	13.6
85.06524	3.1
91.05478	16.1
93.07048	33.7
95.04977	7.0
95.08601	77.5
97.06533	4.6
97.10145	7.4
98.97596	2.5
105.07030	54.5
107.04945	5.5
107.08585	67.6
109.06497	8.6
109.10150	64.3
109.38233	1.8
111.08084	8.6
111.11680	2.2
116.98650	3.6
119.08575	45.4
121.10146	29.0
123.08073	7.5
123.11704	22.3
125.09592	10.5
133.06493	4.3
133.10127	31.4
134.99669	2.9
135.11674	13.2
137.09608	5.8
137.13213	4.5
139.11230	4.0
145.10089	2.7
147.11694	49.2
149.13252	7.9
151.11179	43.1
159.11755	2.1
161.05959	4.4
161.13243	23.7
163.14807	32.1
165.05547	2.2
165.12752	12.1
175.14786	19.4
177.16399	9.5
193.08478	2.6
203.17949	100.0
219.73695	2.0
221.04414	3.4
221.07968	2.5
221.15581	3.4
221.19000	78.3
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
53.03935	2.7
55.01873	2.8
55.05509	20.5
56.96569	17.8
57.03429	3.8
57.07068	5.8
58.12452	1.8
67.05505	43.9
69.03423	3.3
69.07066	40.8
69.39011	18.5
71.04987	10.9
79.05489	20.9
81.07056	69.4
83.08614	20.0
85.06537	12.6
91.05472	25.1
93.07043	48.8
95.04973	5.7
95.08605	91.7
95.70061	2.1
97.06527	11.7
97.10181	6.5
98.97550	3.2
99.08058	3.4
103.05457	2.1
103.62841	1.9
105.07027	61.7
106.07410	2.4
107.04971	2.7
107.07859	3.8
107.08591	75.7
109.06521	5.5
109.10152	67.0
111.08096	9.6
111.11689	4.9
113.09686	2.9
116.98618	4.2
117.06940	2.5
119.08582	83.8
121.06506	4.1
121.10140	100.0
123.08033	4.3
123.11707	22.8
125.09650	4.6
131.08641	3.1
133.06532	3.1
133.10126	53.9
134.99620	8.0
135.08095	2.4
135.11693	31.3
137.05942	2.6
137.09615	7.7
137.13240	7.1
139.11142	2.3
141.37947	2.1
145.10167	4.2
147.11690	69.6
149.02345	4.0
149.13283	6.9
151.11243	5.5
153.00642	2.4
158.01189	2.1
159.11755	3.5
161.09595	2.4
161.13268	32.4
163.14838	15.2
165.12752	14.7
175.02821	4.9
175.11266	3.0
175.14815	33.6
177.16402	37.8
192.94962	6.7
193.03816	5.7
193.15971	2.1
203.14409	3.7
203.17967	53.7
203.75345	2.2
221.09534	6.3
221.11746	6.4
221.15518	15.8
221.19009	79.4
233.19162	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1179
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01870	1.6
55.05506	1.1
57.07076	7.3
59.04998	5.1
63.61004	0.7
67.05491	6.9
69.07072	4.5
70.02944	7.9
71.05407	1.2
71.05738	1.0
72.04518	16.9
73.02911	2.4
74.02431	1.6
83.04974	1.4
85.06538	11.5
86.09703	1.7
87.08110	1.8
90.05550	100.0
95.04973	7.2
96.08135	2.5
98.02412	15.8
99.08054	0.8
100.03967	3.6
103.07567	7.7
110.06234	0.8
112.07597	1.4
113.06021	2.6
116.03455	14.6
124.07587	17.4
131.07018	0.9
132.10182	0.8
142.08611	7.6
146.06027	2.7
150.31348	0.7
156.10164	1.6
158.05992	1.1
160.03192	1.0
160.09692	1.8
162.05457	0.8
166.08688	2.0
174.11235	2.2
174.73553	0.8
175.08665	1.2
178.05008	0.9
184.09686	18.7
202.10732	27.5
204.77951	0.8
220.11806	28.4
220.17735	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	220.1695
Annotation	Fabianine
Peak:m/z	Relative Intensity
56.96556	0.2
67.05523	0.3
68.80482	0.1
69.07075	0.2
69.57780	1.3
79.05509	0.3
81.07040	0.4
81.22926	0.1
91.05467	0.7
92.05833	0.3
93.07065	0.6
95.04982	0.3
95.08612	0.2
98.97596	0.4
105.07050	0.4
106.07387	0.4
107.08593	0.6
109.06548	0.2
109.10200	0.2
115.05448	0.3
115.58878	0.2
116.05714	0.2
116.98652	0.3
117.07069	0.2
118.06537	10.9
119.07346	0.3
119.08566	0.4
120.08906	0.2
129.06932	0.3
130.07341	0.6
131.08522	0.3
132.05292	0.1
132.08064	3.4
132.08949	0.5
133.08884	1.1
133.09921	0.2
134.09647	0.9
134.10457	0.2
134.99719	0.2
141.06989	0.2
142.07309	0.9
144.08038	0.3
146.09608	3.7
147.07944	0.2
147.10464	0.3
158.06874	0.6
159.07661	0.4
160.08380	0.6
160.11153	0.4
161.11942	0.2
162.09125	5.9
170.06871	0.4
171.07684	0.2
174.06781	0.3
175.07129	1.9
176.10753	4.3
176.14336	31.0
177.09085	0.5
177.11464	1.4
177.14738	0.5
187.07135	0.5
189.08914	0.2
190.09483	2.3
190.12221	3.2
191.12967	0.2
192.11069	0.3
202.09412	1.0
202.15782	0.9
203.10747	0.3
204.14633	0.4
205.15860	0.4
220.10785	2.3
220.16942	100.0
221.17285	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
53.08469	0.6
53.52412	0.5
53.76516	0.5
55.05483	0.8
55.23832	0.7
56.04993	1.0
56.96545	0.8
57.07055	0.8
58.81608	0.5
67.05473	1.4
69.85518	0.6
70.06547	1.2
71.20169	1.2
74.02399	0.9
79.05476	0.9
81.03358	0.6
81.07036	1.3
82.02903	1.7
83.04956	0.6
84.04494	0.9
90.05541	0.7
91.05450	2.7
94.06558	3.1
95.04926	0.7
95.08569	1.2
98.97563	0.7
103.05429	1.0
105.06996	1.6
106.06522	1.3
107.04900	0.6
107.08607	0.7
109.06458	0.7
109.10108	0.8
111.08053	1.2
115.05489	2.9
118.06533	0.9
119.08562	1.2
120.08069	2.2
121.06534	1.0
125.51808	0.6
130.06523	50.2
131.04893	1.4
132.04449	31.8
132.08102	1.1
133.05107	0.6
133.07567	0.6
133.10036	0.6
134.06004	9.6
135.08008	0.7
137.05914	0.6
146.05981	2.8
147.04456	0.8
147.06340	3.6
147.09174	1.6
148.07567	5.1
157.06331	1.2
157.07608	19.1
158.06009	69.0
159.06624	2.0
160.07576	5.4
162.05499	22.6
175.08669	100.0
176.07066	2.6
176.09029	1.6
179.10670	0.7
186.05489	8.9
203.08180	1.8
204.06557	28.3
205.06976	0.8
220.95193	0.5
221.09242	21.0
221.15367	1.1
221.18364	0.8
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	Sodium pantothenate
Peak:m/z	Relative Intensity
57.07079	6.4
59.04996	5.6
61.02908	1.2
63.49044	0.6
64.31434	0.7
67.05505	6.4
69.07067	6.8
70.02948	6.4
71.01355	1.3
71.04185	1.2
71.04511	0.8
72.04513	15.4
73.02910	4.0
73.06599	0.9
73.13918	0.6
74.02430	2.7
75.04465	0.7
81.07050	1.1
83.04971	1.6
85.06539	10.5
86.09686	2.1
87.08106	1.5
90.05550	100.0
95.04961	8.0
96.08131	2.1
98.02411	14.2
100.03966	2.7
103.03909	1.1
103.05473	0.6
103.07578	8.4
104.04239	1.7
104.41632	0.7
112.07597	0.8
113.05986	4.4
113.55413	0.7
116.03452	15.7
124.07581	19.3
131.07028	1.4
132.10139	1.2
138.09059	0.7
142.08617	7.7
151.46353	0.8
156.10263	1.0
158.11763	1.0
159.02853	1.0
160.03232	2.5
160.09680	1.5
166.08577	2.3
174.11255	2.7
184.08122	1.4
184.09682	19.8
202.10728	28.0
204.14714	0.9
220.11780	27.2
220.17671	3.8
221.08170	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
51.02389	0.8
53.03938	1.6
55.01874	1.1
55.05506	4.3
55.79436	0.7
56.96553	1.7
57.07052	1.2
67.05504	11.2
69.03422	1.3
69.07055	5.5
70.84187	0.7
70.84516	1.6
71.01347	0.7
71.04984	1.8
75.78992	0.6
79.05482	11.1
81.07051	25.4
83.04984	1.6
83.08618	1.4
85.06520	1.2
89.97359	0.7
91.05476	11.1
93.06463	1.4
93.07040	24.7
95.04943	2.1
95.08601	27.7
97.06512	2.6
97.10143	1.5
98.97575	0.7
105.07024	37.9
107.08589	25.0
109.06489	2.6
109.10153	10.2
111.08078	2.4
117.07020	7.0
119.08583	23.1
121.06480	1.4
121.10137	13.2
123.08069	3.9
123.11694	2.7
129.06978	1.5
130.07774	1.6
131.08563	26.2
133.10120	12.2
135.08014	1.9
135.11687	10.6
137.09563	1.6
143.08556	1.4
144.09315	1.8
145.10114	43.1
147.11687	6.6
149.09584	1.6
149.13257	4.0
157.10112	2.1
158.10843	0.9
159.11684	26.2
160.12328	0.7
161.13252	10.2
163.11125	4.3
172.94102	1.0
173.13255	10.2
174.06786	1.3
175.14830	4.9
177.12755	2.2
177.16426	1.0
187.14818	1.5
189.09225	0.9
189.16397	2.3
190.95306	1.3
191.17934	2.6
201.16379	58.8
202.16696	1.0
203.14279	8.4
213.96906	1.1
219.17427	100.0
220.17773	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1338
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
55.01874	0.6
55.05498	1.5
56.05032	3.2
56.96559	2.6
57.03422	0.5
60.04521	100.0
61.02926	1.1
67.05425	0.5
69.03434	0.7
69.07067	2.6
70.02970	1.4
71.01347	1.3
71.03437	1.5
72.04504	1.0
72.08154	9.0
72.16534	0.6
73.02907	0.8
74.06075	12.8
74.06477	1.1
75.04458	1.0
79.05499	0.6
81.07076	0.7
81.21445	0.5
84.04500	2.0
84.08131	2.0
86.09699	83.0
86.63216	0.5
87.05582	4.3
87.10021	1.0
88.02252	0.7
88.03981	0.9
90.05537	2.8
90.09193	0.6
93.07037	0.6
98.76066	0.6
98.97571	2.0
100.02503	0.6
100.07667	0.6
103.03957	0.9
116.98609	1.9
118.08697	1.3
119.01912	2.2
119.08556	0.8
120.01962	0.7
121.01634	1.8
121.10139	0.5
124.07587	0.7
128.00203	1.2
128.10704	4.2
130.04990	0.5
131.03398	1.6
132.10193	49.6
133.03459	0.8
134.44757	0.5
134.99615	1.0
137.02884	0.8
139.02676	0.7
142.04884	0.8
145.10066	0.6
146.01233	0.9
147.01357	0.7
147.03201	1.4
147.11702	0.6
151.98210	0.5
155.11699	0.8
159.02884	1.3
163.03914	1.2
165.04257	1.0
172.95154	1.1
173.02803	0.6
173.12852	31.0
177.00713	0.8
177.02258	0.6
184.09657	0.8
190.96291	0.5
195.05281	0.6
196.04495	1.3
197.18150	0.5
201.12329	4.7
202.10651	1.1
203.14320	3.8
219.03011	1.2
219.13364	9.6
219.17401	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1339
Annotation	Lysopine
Peak:m/z	Relative Intensity
55.01866	2.1
56.05017	0.8
57.07072	24.4
57.18779	0.6
71.32780	1.4
72.04515	6.4
72.08149	4.5
73.02903	2.7
74.02437	27.2
74.09715	71.8
78.11832	0.6
82.02940	36.1
83.01340	4.5
84.04505	1.7
85.02893	1.2
87.04487	0.7
88.61208	0.6
90.36962	0.6
94.76288	0.7
94.94266	0.6
99.05571	2.8
100.03976	9.1
101.02370	2.4
110.09679	1.6
118.05005	7.4
119.03404	1.1
121.62928	0.7
127.12321	6.5
128.03418	2.4
128.10675	1.6
138.09050	0.9
146.04478	31.9
155.11784	100.0
156.10193	1.2
156.12125	0.7
173.12849	3.5
184.09692	8.4
201.12318	12.5
202.10738	56.3
203.14268	0.9
219.13383	11.1
219.17366	3.1
228.87059	0.5
237.18338	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03468	0.8
55.01864	2.3
57.03422	0.7
57.07074	24.8
57.20076	0.5
60.51502	0.5
63.27278	0.6
71.06098	1.0
71.32491	1.3
72.04516	5.4
72.08147	5.1
72.14449	0.5
73.02917	3.2
74.02440	28.4
74.09717	68.6
82.02939	36.5
83.01324	3.8
84.04489	1.7
85.02886	1.2
86.09719	0.5
90.05560	0.8
99.05564	2.3
100.03967	7.2
101.02357	2.8
103.03953	1.2
106.92409	0.5
110.09666	1.5
118.05004	7.0
119.03378	1.6
127.12323	6.1
128.03458	1.8
128.10725	0.8
138.09193	1.6
146.03297	1.1
146.04480	29.7
155.11787	100.0
155.51543	0.5
156.10184	2.2
156.12210	1.1
173.12845	3.1
184.09694	8.4
201.12328	13.0
202.10738	62.3
203.11127	0.7
203.14279	1.1
203.40334	0.6
219.13399	12.4
219.17351	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	219.1743
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03932	1.0
55.01852	1.0
55.05267	1.0
55.05508	15.4
56.96560	4.7
57.03436	0.7
57.07067	1.9
59.04985	0.6
65.76804	0.5
67.05503	7.4
68.68540	0.5
69.03423	2.8
69.07063	8.0
70.75331	0.7
70.75657	1.1
71.01348	0.8
71.04976	2.2
71.27972	0.5
73.06551	3.4
75.04481	1.1
79.05487	7.6
81.07056	17.3
83.04985	2.7
83.08610	2.4
85.02902	0.7
85.06522	2.1
88.07624	0.8
91.05473	10.2
93.07036	20.6
95.04966	3.8
95.08600	16.2
97.06538	2.7
97.10124	0.7
98.97562	2.3
99.08060	1.1
103.05476	1.0
105.07021	22.9
107.04963	0.9
107.08588	19.6
109.06516	5.0
109.10155	11.4
111.04433	0.8
111.08085	5.5
115.05428	1.3
116.06226	1.1
116.98611	1.9
117.07013	4.9
119.08572	20.6
121.06537	4.1
121.10139	26.9
123.08051	5.0
123.11735	3.1
125.09618	3.1
128.06206	1.2
129.06979	4.1
130.07762	1.5
131.04893	1.3
131.08565	16.7
133.10124	15.7
134.99628	1.4
135.08026	4.3
135.11682	9.7
137.09583	1.8
137.13289	0.8
141.06982	2.4
143.08565	1.8
144.05705	1.0
144.09253	1.4
145.06453	1.1
145.10114	22.6
146.10889	1.1
146.99632	0.5
147.11690	10.7
147.12837	0.5
149.09596	3.3
149.13264	3.4
151.11121	0.8
157.06485	1.0
157.10112	1.2
158.07265	1.3
158.10878	1.1
159.02916	0.9
159.04333	0.8
159.08026	2.2
159.11685	18.8
160.12444	0.6
161.09578	2.1
161.13254	12.1
163.11182	11.2
163.14774	0.9
170.07312	0.6
170.10880	0.8
171.11534	0.6
172.94165	0.8
172.95464	0.6
173.05963	0.8
173.09633	1.3
173.13254	8.3
174.06770	3.1
175.07430	0.9
175.14793	6.4
177.00697	1.1
177.12744	6.0
177.16330	2.5
186.06642	1.1
187.07585	1.4
188.11992	1.1
189.09105	4.6
190.95224	4.2
191.10631	0.6
191.14317	1.8
191.17984	2.9
201.09061	2.8
201.12659	1.1
201.16373	28.0
203.14297	17.9
213.96867	0.7
219.06465	2.4
219.10077	6.1
219.13857	3.9
219.17426	100.0
219.21301	2.5
220.17812	1.9
237.05472	0.6
239.36598	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1014
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01848	1.4
55.05495	4.9
56.96543	2.8
57.03424	2.8
57.07074	1.3
60.27531	1.1
64.97428	1.1
66.99914	1.0
67.05493	5.1
69.03433	1.5
69.07040	4.0
70.02945	1.8
70.72218	2.1
71.04983	1.4
71.08617	6.0
73.68046	1.5
79.05489	5.7
81.07063	6.3
83.04984	3.1
85.02888	1.8
91.05476	16.7
91.70798	1.1
93.07039	10.1
95.04984	2.0
95.08596	6.0
98.09679	5.5
98.97572	2.6
102.05566	7.1
103.05447	3.8
105.07030	12.4
107.08572	10.4
109.06487	3.3
109.10147	3.2
111.08055	1.6
115.05418	10.5
116.06219	5.3
116.98568	2.5
117.06995	8.1
119.04959	1.6
119.08574	12.7
121.06472	3.6
121.10126	9.9
123.08027	2.1
123.11686	1.3
125.09630	1.6
128.06212	12.0
129.06999	49.9
130.07750	3.0
131.03357	1.4
131.04959	8.6
131.08562	45.7
133.10130	13.0
135.08063	2.8
135.11693	2.7
137.06010	2.9
141.06979	39.2
142.07675	1.6
143.04912	3.2
143.08569	3.8
144.05710	6.7
144.09325	2.0
145.06424	9.7
145.10106	9.8
146.07251	5.6
147.04353	1.4
147.07994	2.3
147.11662	3.4
148.05188	1.7
155.08476	1.3
157.06483	22.3
157.07700	1.9
158.07268	23.0
159.02989	1.9
159.04359	4.6
159.08052	28.9
159.11664	11.0
160.05168	5.6
161.09633	6.0
161.13257	8.4
163.07544	2.8
163.11205	2.2
169.06435	15.8
170.07262	8.6
171.08000	1.9
172.13348	4.0
173.05940	6.8
173.09572	1.7
173.13191	3.9
174.06757	78.5
175.07510	14.1
175.14819	3.5
185.06107	1.4
186.06770	19.9
187.07539	3.7
188.08295	5.0
189.09090	100.0
190.07802	2.8
190.09464	2.9
191.07063	2.7
191.08794	8.0
191.10526	8.6
201.09103	43.7
201.12614	2.9
201.16386	8.6
202.09242	1.5
203.14302	24.5
203.94705	1.3
219.06621	2.5
219.08223	4.3
219.10132	91.3
219.13779	5.3
219.17421	92.8
220.10425	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	219.1016
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.56513	0.8
53.03934	1.0
55.05494	4.2
56.96558	2.8
57.03435	1.2
57.07056	2.2
64.31863	0.9
67.05486	5.8
69.03409	2.0
69.07046	3.4
69.58743	6.6
71.04984	2.5
75.04456	1.4
75.70475	0.8
79.05098	0.9
79.05506	7.1
81.07053	14.1
83.04983	1.7
83.08603	1.8
85.02899	1.1
91.05479	16.6
93.07037	11.5
95.04930	2.3
95.08598	8.8
97.06454	1.8
98.97564	2.6
103.03929	1.5
103.05461	5.0
105.07030	19.9
107.04964	1.8
107.08601	11.7
109.06527	2.3
109.10171	6.5
115.05457	9.2
116.06212	3.8
116.98602	3.2
117.07004	7.5
119.08580	14.4
121.06509	1.5
121.10140	10.6
123.08066	2.7
123.11720	1.1
125.09601	2.1
128.06215	10.2
129.06999	38.6
130.07774	4.3
131.04924	7.9
131.08562	49.3
132.08992	1.2
133.10127	15.9
134.99670	2.1
135.08051	2.4
135.11671	5.1
137.05980	5.4
137.09599	1.7
141.06987	35.0
142.07863	1.0
143.04872	1.5
143.08556	4.0
144.05692	5.3
144.09331	1.3
145.06480	9.6
145.10103	13.3
145.36531	1.0
146.07224	4.6
147.11696	3.7
148.05177	1.1
149.09608	1.6
149.13184	1.4
151.03923	1.8
155.08566	1.4
157.06470	20.3
157.07713	1.7
157.10072	1.7
158.07274	20.8
159.02914	1.9
159.04376	2.6
159.08051	23.7
159.11710	13.4
160.05170	3.7
161.05908	1.7
161.09619	6.0
161.13243	7.8
163.07465	3.7
163.11206	2.0
169.06491	12.6
170.07312	6.3
171.07964	1.2
173.06018	5.7
173.09641	3.1
173.13275	5.2
174.06760	67.2
175.07494	11.7
175.14783	3.9
177.00729	1.4
177.12758	2.0
186.06760	16.8
187.07442	2.6
188.08295	3.5
189.09102	78.1
190.09415	2.5
190.95273	1.8
191.07001	1.8
191.08713	1.3
191.10638	6.1
191.14403	1.1
201.09094	34.3
201.16383	14.2
203.14310	26.5
219.06532	3.1
219.08403	1.8
219.10147	79.6
219.13795	5.1
219.17424	100.0
219.40192	1.1
220.10695	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28263	0.8
53.03937	1.5
55.05490	3.0
56.96554	4.2
57.03424	1.9
65.03916	1.0
67.05496	7.7
69.03416	2.4
69.07051	3.9
69.73037	4.4
71.04986	2.6
73.02974	0.9
75.04461	1.0
77.03947	1.1
79.05474	7.6
81.07053	15.4
83.04958	1.7
83.08578	1.0
91.05474	21.5
93.07037	14.7
95.04959	2.8
95.08598	10.3
97.06528	1.6
98.97564	4.5
103.03948	1.1
103.05457	3.1
105.07018	18.4
107.08585	14.2
109.06509	2.4
109.10149	5.4
111.04439	1.2
111.08040	1.9
113.81812	0.8
115.05446	12.6
116.06220	4.4
116.98611	3.6
117.06992	6.4
119.04898	1.1
119.08572	14.5
121.06489	1.9
121.10136	9.2
123.08063	2.1
123.11695	2.1
125.09650	1.5
128.06209	9.6
129.05545	1.1
129.06995	45.8
130.07826	4.3
131.04927	9.3
131.08557	51.6
133.06514	1.4
133.10109	11.8
134.99623	1.7
135.08046	2.1
135.11676	4.4
137.05946	3.5
141.06982	39.3
143.04926	2.5
143.08525	4.0
144.05690	5.7
145.06476	10.9
145.10120	15.5
146.07277	6.7
146.10779	0.8
147.04437	1.2
147.08035	1.3
147.11668	3.9
148.05177	1.7
149.01282	0.9
149.09622	2.3
149.13277	2.3
155.08549	1.0
155.11787	1.3
157.06480	23.8
157.10077	1.4
158.07263	22.3
158.99683	1.1
159.03000	1.9
159.04405	4.3
159.08046	33.3
159.11670	10.8
160.05202	5.3
160.08652	1.2
161.05971	1.4
161.09642	5.9
161.13252	6.6
163.07506	2.6
163.11201	1.8
169.06470	17.6
169.07762	1.5
170.07294	6.7
171.08040	2.1
173.05988	5.7
173.09607	2.2
173.13190	5.2
174.06757	80.7
175.07518	12.9
175.14847	3.8
177.00722	2.3
177.12688	2.4
185.05881	1.3
186.06749	21.5
187.07425	2.8
188.08308	5.1
189.09094	100.0
190.09375	1.6
190.95345	1.2
191.02324	1.0
191.06985	1.7
191.08559	2.5
191.10663	7.8
191.17921	1.7
201.09088	42.3
201.16379	17.6
202.09479	1.3
203.14305	19.6
219.06549	2.6
219.10153	91.7
219.13794	4.2
219.17418	88.4
220.10529	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45325	0.8
55.01633	1.2
55.01863	5.8
56.96550	1.3
57.21473	0.8
59.04982	0.9
60.04517	1.2
61.02926	23.0
65.71717	0.8
69.82774	2.6
69.83186	2.6
71.00957	1.8
71.01350	37.8
72.08144	1.0
74.09712	1.9
75.04476	53.1
84.99261	1.3
86.09695	1.6
87.03931	1.0
87.04463	19.3
89.02393	9.5
90.05547	1.2
91.05468	1.0
98.97591	1.7
103.03935	73.2
107.08515	1.1
116.28882	1.1
116.98607	0.9
119.08593	1.1
121.10136	1.3
127.14849	0.8
131.03372	14.0
133.10103	1.0
155.11798	2.6
159.02884	100.0
160.03275	1.4
177.00679	1.1
187.02353	9.5
203.14284	7.1
219.04996	9.2
219.17416	27.9
221.30107	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	6.1
56.96557	1.3
57.07055	1.4
59.04997	1.5
61.02637	2.0
61.02928	26.2
69.07063	1.5
70.21892	3.3
70.22278	2.7
71.00954	2.3
71.01350	45.3
72.01706	1.3
74.09724	2.3
75.04478	75.0
76.86674	1.3
84.99271	2.8
85.02897	2.1
86.09674	2.2
87.04469	24.9
89.02384	10.5
90.05538	3.3
93.07016	1.6
98.21367	2.1
101.06023	1.6
103.03938	73.2
119.08587	2.6
121.10117	2.6
131.03406	14.5
133.10114	2.6
134.30286	1.4
142.05063	2.2
155.11789	4.5
159.02878	100.0
160.03175	1.9
161.04417	1.7
163.03864	2.4
173.09558	1.2
187.02382	12.2
201.12299	1.5
202.10773	3.2
203.14293	10.0
219.04950	7.7
219.17415	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1546
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
55.05502	1.6
56.05032	3.7
62.17057	0.4
64.69408	0.4
65.68993	0.4
70.13710	0.5
70.28035	1.9
71.05073	0.5
71.08627	32.1
83.04978	2.9
83.06110	2.4
84.04498	91.5
85.02896	6.1
86.07008	0.5
88.11263	100.0
89.11610	0.7
95.01356	0.7
101.06048	0.8
102.05516	5.6
111.04441	1.9
112.03979	0.8
119.33979	0.5
130.04993	42.0
144.08075	1.3
154.12206	0.8
155.07021	3.0
166.52081	0.5
171.14920	22.3
173.08049	2.3
200.12807	82.6
201.13039	1.1
217.10725	1.1
217.15457	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28621	10.6
62.09488	10.8
69.31031	12.0
69.31188	14.4
69.31607	100.0
69.31898	10.5
119.08505	11.1
203.14297	34.4
219.02545	18.8
219.17479	81.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.05
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42525	1.6
55.01865	5.6
55.05489	5.3
56.05026	3.9
56.96564	9.8
57.07100	1.6
57.54575	1.4
58.06610	1.6
59.04986	2.7
60.04256	1.9
60.04530	27.4
61.02932	11.9
67.05518	4.1
68.99773	7.1
69.03410	5.7
69.07066	4.8
70.06560	2.0
71.01355	100.0
71.33987	3.8
72.04509	3.9
72.08144	7.4
73.02903	4.8
74.06075	7.4
75.04483	29.6
81.03398	2.7
84.04504	4.6
84.08135	4.9
85.02895	7.5
85.07668	3.8
85.39415	1.6
85.72863	1.6
86.09706	24.8
87.04448	3.9
89.02377	2.3
90.05538	4.2
93.07057	2.5
97.02905	4.3
98.06054	1.9
98.97589	11.5
99.00804	4.5
100.03976	1.9
101.02367	9.0
103.03942	40.0
105.07011	2.2
107.08605	3.0
109.02919	1.8
111.00841	11.5
113.02329	3.1
113.04936	1.7
113.05997	1.4
113.86015	1.7
116.07109	1.9
116.98614	7.3
117.01850	10.0
119.08610	5.1
121.01617	1.9
121.10130	5.9
124.82084	1.6
127.00294	5.7
128.00237	2.5
128.98625	2.8
129.01849	5.5
131.03401	75.9
132.04399	2.1
132.10191	15.1
133.04918	3.1
133.10118	5.0
134.99652	5.7
141.01797	5.2
142.08682	1.9
143.08347	2.1
145.01311	15.4
145.05023	8.2
145.05977	1.6
145.10123	2.4
146.01234	3.3
146.99634	1.8
147.03198	2.6
149.47777	1.7
157.04987	14.5
157.06793	2.3
157.65630	1.7
158.99611	2.7
159.02895	86.5
160.03247	1.7
161.09703	2.1
161.13275	4.0
163.03909	2.5
168.01909	3.1
170.05252	2.2
170.42892	1.6
172.95296	2.1
173.06305	2.3
173.12910	9.5
175.14728	1.7
177.00682	7.3
177.04147	2.2
190.98477	1.9
191.07298	2.1
195.01791	2.9
201.12430	3.6
203.14328	25.4
219.03134	2.1
219.06844	2.4
219.13524	6.4
219.17442	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.6
56.96564	1.2
71.57678	1.4
78.95631	4.9
82.99874	1.7
83.04976	2.4
84.08111	1.0
85.01395	1.8
86.26712	1.0
88.53322	0.9
98.20696	1.0
101.00856	10.8
103.02440	12.1
111.04443	5.0
111.13007	0.9
119.01917	100.0
120.01998	3.5
121.03497	11.1
127.02428	2.4
127.07603	1.4
131.01915	8.8
137.02954	49.7
142.03499	1.2
145.03459	90.6
146.03584	1.2
146.08095	1.2
147.01375	6.5
149.02942	7.3
150.87160	1.1
154.13112	1.0
155.07010	6.0
156.97498	1.5
159.05038	1.1
163.04517	62.5
165.02470	1.3
168.05016	1.8
170.99089	1.3
171.01347	4.1
173.02916	3.8
173.08092	4.0
174.93829	2.6
174.98529	3.8
175.00836	1.5
186.06013	1.2
189.00012	1.9
189.00565	1.7
189.02451	31.7
189.42915	0.9
191.04037	5.8
193.01918	4.1
199.00862	1.5
207.03528	19.3
212.01854	1.4
212.04137	1.4
212.20583	1.1
216.84866	1.6
216.99599	3.6
217.01930	7.6
217.10669	2.3
233.18753	1.3
235.02974	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	217.0345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.6
55.01826	1.6
55.05455	31.5
56.04993	1.0
56.96512	6.4
57.03405	0.7
57.07025	0.5
59.04944	10.4
60.04467	2.8
62.97543	0.5
65.03903	1.0
67.05495	4.1
69.03426	2.8
69.07017	1.3
70.06555	1.3
71.58766	1.0
72.04488	0.5
72.08160	2.2
73.02870	2.1
73.06512	0.5
74.02408	0.9
75.04487	2.9
79.05479	0.7
81.03339	0.6
81.07009	0.7
83.04980	53.9
83.08616	2.4
84.04464	1.7
84.08089	1.6
85.02866	1.9
85.06561	3.7
87.04467	6.9
88.03918	0.4
89.01891	0.5
89.02390	6.4
89.03947	2.3
89.06027	11.3
90.94838	0.5
91.05442	1.0
93.03339	1.1
95.04945	1.6
97.02888	0.4
97.35771	0.6
98.97573	0.9
99.04458	5.1
101.06017	21.3
102.05545	0.6
106.06516	1.1
107.04951	0.6
107.07025	0.5
109.68006	0.4
111.04437	67.7
111.08038	0.9
113.05997	9.2
116.07092	0.7
116.98634	1.2
117.03371	2.0
118.06537	2.4
120.08109	1.0
121.02888	0.6
127.07549	11.8
128.01274	1.0
129.05475	26.1
130.06598	1.0
130.08667	0.8
133.02847	0.6
133.04959	0.9
133.99109	0.5
134.99725	0.5
135.04411	4.2
136.01041	0.5
137.05959	2.4
143.00182	2.3
144.08051	0.6
145.02760	2.9
147.06567	1.4
150.96872	0.6
155.07025	100.0
157.01721	0.6
159.03299	0.8
161.01215	3.9
161.02274	0.4
161.04480	6.2
161.05743	0.8
163.03896	20.1
169.01723	1.1
170.99738	0.6
171.06351	0.5
171.09177	13.3
171.11497	0.6
172.09860	0.5
173.08093	55.0
177.20541	0.4
185.01324	1.3
187.02838	1.2
189.00764	1.2
199.09631	5.5
203.02400	1.7
213.00807	0.8
217.10884	38.8
218.08345	1.1
231.01768	2.7
237.00726	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1222
Annotation	4,9-dimethyldodeca-2,4,6,8,10-pentaenedial
Peak:m/z	Relative Intensity
53.03937	3.8
55.01864	5.4
55.05509	34.2
56.96562	1.1
57.03433	1.3
57.07061	1.3
57.36247	1.0
57.88805	1.1
59.04982	3.7
65.03928	1.6
65.18937	0.9
67.05503	10.5
69.03424	7.4
69.07054	2.6
71.04967	1.5
71.59076	2.0
71.96374	1.0
73.02891	1.5
79.05489	29.1
79.76357	0.9
81.03413	1.8
81.07052	61.4
83.04976	48.6
83.08597	2.6
85.06507	2.3
87.04452	4.6
89.02396	3.0
89.06041	7.5
91.05475	16.8
93.07035	20.9
95.04967	9.2
95.08594	5.1
97.06507	4.2
99.04462	4.6
101.06013	15.9
103.05404	2.9
105.07021	20.8
107.04280	1.0
107.04928	5.4
107.08595	6.3
109.06509	37.2
111.04434	55.7
111.08062	1.6
113.06008	8.3
115.05434	3.1
116.06237	1.3
117.06987	3.6
119.04913	2.1
119.08570	12.9
121.06496	100.0
121.10099	1.9
122.06812	1.5
123.04413	1.4
123.08035	3.8
127.07550	32.1
128.06206	8.2
129.05475	18.3
129.06978	13.1
130.07762	1.2
131.08539	8.0
133.06491	7.1
133.10124	8.9
135.04417	7.6
135.08018	6.1
137.06000	5.0
141.06950	3.9
142.07745	10.6
143.08562	18.1
145.06439	2.6
145.10124	6.9
147.06580	1.2
147.08037	7.7
147.11697	7.6
153.06908	2.3
155.07030	78.9
155.08389	4.2
156.05666	6.2
156.09346	8.8
157.06493	3.3
157.10123	22.8
158.07263	1.7
159.08043	4.0
159.11679	3.6
160.08844	2.1
161.05981	5.4
161.09615	4.4
161.13228	2.5
165.06993	3.6
166.07768	6.1
171.08000	3.2
171.11688	22.5
173.08104	43.7
173.09602	5.1
173.13182	3.1
175.07510	2.2
175.11176	18.5
181.10081	7.9
184.08875	4.7
189.09073	2.2
189.12747	14.9
189.16255	1.4
199.07961	1.3
199.09612	4.1
199.11192	38.2
199.14806	4.4
217.04990	2.5
217.08539	5.0
217.10623	26.4
217.12250	49.9
217.15598	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	216.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.1
55.05507	0.5
56.05045	0.3
57.03432	1.0
59.76677	0.3
69.75932	0.3
71.08636	9.9
71.22663	0.6
71.22999	0.4
72.04520	1.7
72.08973	0.5
73.02500	0.4
73.02919	10.9
74.02448	4.2
82.02950	4.6
83.01345	12.7
83.03285	1.3
83.04965	0.4
84.04504	0.8
84.90880	0.3
85.02908	3.4
86.09718	0.4
88.11281	2.6
89.11613	1.5
93.21855	0.3
96.04469	0.3
97.98365	0.3
100.03983	18.1
101.02377	7.1
110.02399	0.6
111.04470	0.6
115.46285	0.3
118.05028	5.1
119.03409	3.3
128.03427	1.3
146.04486	88.3
147.04813	0.9
155.07042	1.0
166.73482	0.2
169.13364	1.0
170.11952	1.8
170.13753	8.1
173.08058	0.5
188.12923	0.4
199.11636	0.8
216.12318	100.0
217.10797	0.5
217.12642	1.7
234.60272	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1388
Annotation	L-valyl-L-proline
Peak:m/z	Relative Intensity
51.86700	0.7
53.18670	0.6
55.05505	1.4
56.05035	4.1
69.03436	1.1
69.07061	33.3
69.37400	6.7
70.06584	4.1
70.07388	1.8
72.08152	10.3
72.93760	1.5
83.06096	3.0
84.04495	100.0
84.08129	5.2
85.02900	5.0
85.08437	0.8
86.09697	93.5
87.04460	0.9
87.10027	0.9
96.04503	1.0
98.20805	1.8
98.97583	1.4
99.05563	0.9
101.07155	0.8
102.05497	3.5
114.05503	0.8
116.07082	9.8
116.98587	1.4
118.05180	0.7
128.03482	0.9
129.06616	1.0
130.04991	37.5
132.95837	4.8
134.99664	1.1
136.15480	0.8
142.04895	1.0
143.98450	0.8
146.04477	1.7
147.04752	1.0
150.96877	9.8
151.12227	1.7
152.10687	1.7
169.13358	9.3
191.97171	3.1
197.12880	2.6
198.11226	32.4
198.13029	1.7
215.11089	4.1
215.13893	24.8
216.12254	1.0
216.14452	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1641
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
52.40500	5.9
53.30235	5.7
55.01392	6.1
55.05501	25.2
60.85426	6.4
67.05500	45.1
69.07065	36.7
69.55040	47.4
71.04990	17.5
71.97749	6.2
79.05473	18.7
81.07060	71.8
83.08608	22.1
85.06561	15.4
91.05463	26.5
93.07032	25.6
95.08609	100.0
97.06506	21.4
97.10160	8.7
99.08060	9.0
105.07044	28.3
107.08537	9.7
119.08595	41.0
121.10138	14.2
128.14346	12.8
132.95805	24.4
133.10104	28.5
135.11674	21.1
137.13297	12.7
145.06374	7.7
150.96899	72.1
161.13243	73.0
162.92073	7.0
169.13310	14.1
179.14296	35.5
197.15294	9.8
209.98090	6.6
215.07077	8.7
215.10667	8.7
215.14259	7.7
215.17729	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	214.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03291	1.0
53.03933	2.3
55.01856	1.7
55.05509	62.5
56.05844	2.0
56.96563	1.5
57.03415	3.0
57.07061	2.7
67.05499	31.0
67.09797	0.9
69.03387	1.5
69.07063	49.3
70.06564	1.6
71.04996	5.4
71.60172	1.6
73.06541	2.6
79.05051	1.5
79.05486	16.5
81.07053	80.7
83.04988	6.4
83.08615	43.1
84.08136	1.8
84.08943	1.3
85.06545	8.8
91.04913	0.6
91.05473	16.8
91.58111	2.2
91.60286	1.1
92.08267	2.9
93.07030	18.9
93.89765	1.0
95.04975	2.1
95.08602	100.0
97.06518	12.6
97.10178	13.3
98.09678	2.3
99.08080	3.8
100.07590	3.4
100.11251	15.3
101.05986	2.1
101.11584	6.4
105.06374	1.8
105.07021	19.8
107.08609	8.7
109.06512	4.4
109.10154	8.7
111.08046	4.2
113.06007	1.6
113.09624	1.5
115.07550	2.8
117.07057	1.7
119.08574	30.0
121.10136	8.5
123.08061	9.3
126.09122	1.4
127.07508	3.0
132.95818	1.1
133.10130	18.4
133.11107	2.0
135.11673	14.9
137.09602	6.0
137.13243	16.8
141.09070	2.4
141.11464	4.2
141.61652	13.1
142.30090	1.1
150.95808	1.0
150.96892	3.8
151.14821	1.0
154.12254	4.2
154.28896	1.0
155.12616	1.8
155.61386	2.4
159.08043	1.3
159.11707	1.2
161.13248	45.3
163.43047	0.9
173.02325	2.0
174.29558	1.0
178.15907	1.6
179.14325	11.6
182.15401	5.1
183.15752	5.9
187.11148	1.8
196.16933	13.8
199.18051	4.5
200.18387	4.6
210.15038	1.1
213.67923	4.8
214.10860	1.3
214.18007	57.6
214.21561	2.9
215.06979	1.7
215.10614	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1847
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03931	1.7
55.01864	4.3
55.05506	20.3
57.07066	2.9
67.05507	8.4
69.03436	3.6
69.07059	22.5
69.30999	15.5
70.06558	1.5
71.04982	6.0
71.08635	2.0
73.89894	1.3
79.05487	11.0
79.85762	1.3
80.50150	1.4
81.07050	26.7
83.04939	2.2
83.08613	16.0
85.06554	7.4
91.05462	5.1
93.07037	16.4
95.08602	46.1
97.06542	2.1
97.10160	9.3
99.04414	1.8
99.08089	40.6
100.11267	3.6
105.07023	7.1
107.08588	42.3
109.02896	2.1
109.10182	15.2
111.08078	18.8
113.09657	5.0
119.08564	5.4
121.10142	70.5
123.08069	3.0
123.11736	1.5
124.07560	1.3
125.09644	5.7
127.03909	6.3
133.10143	3.7
135.11681	16.0
137.13246	9.5
139.11182	2.1
141.11470	4.5
142.07759	1.8
149.13245	8.1
154.12413	1.4
157.10120	3.3
161.13271	3.9
167.07230	1.6
171.11639	1.9
177.16380	100.0
178.16661	1.5
188.83713	1.4
195.17445	12.8
199.17978	2.1
213.05574	3.6
213.09093	3.9
213.12747	3.0
213.16489	2.7
213.18446	10.9
214.18094	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	214.1073
Annotation	N-(3-Oxohexanoyl)-L-homoserine lactone
Peak:m/z	Relative Intensity
55.01869	4.7
55.05503	1.2
55.85980	0.8
56.05024	1.3
56.96569	1.6
57.03423	1.4
58.06596	0.9
67.05478	3.7
68.05003	1.8
69.03455	0.9
69.07068	54.6
70.02948	1.6
70.06593	3.2
70.07385	1.7
70.84203	2.3
71.06931	1.0
72.04509	1.8
72.08137	1.9
73.02913	13.8
74.02452	5.2
75.63461	1.0
79.05476	1.7
81.03437	1.1
81.07023	1.0
82.02945	4.3
82.06558	1.3
83.01343	10.5
83.03268	1.1
84.04496	4.7
84.08144	29.1
85.02899	6.8
85.06548	0.9
85.08470	2.0
85.08938	2.8
86.02427	1.6
86.09224	2.0
86.09710	23.3
87.10017	2.3
91.05508	0.8
93.07010	1.0
95.04918	1.1
96.04467	1.1
96.08134	12.7
97.06503	1.2
98.97585	1.5
99.05576	2.7
100.03975	13.3
100.05899	2.6
101.02361	5.8
107.08565	1.9
109.06454	1.1
110.06048	1.9
112.03938	1.5
112.07596	1.9
113.02359	1.2
116.98602	1.0
117.05801	1.0
118.05020	3.3
119.03393	3.1
122.09663	3.9
122.10366	0.8
123.08054	1.8
123.09989	3.0
124.07573	3.2
128.03407	1.5
130.05020	2.3
132.95831	1.8
134.75540	0.9
140.10693	2.4
142.08649	0.9
146.04482	67.5
149.63039	0.7
150.09146	7.2
150.96889	4.4
151.09518	1.0
158.04510	2.3
168.10181	4.5
168.12141	8.2
172.06131	1.3
186.11223	1.3
188.30147	0.8
191.97266	1.1
196.09692	5.6
196.13307	1.0
198.11263	1.8
214.10739	100.0
214.12492	3.8
215.11298	0.9
215.14029	0.9
217.49641	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
53.03920	4.6
55.01622	1.6
55.01867	16.8
55.05510	78.8
56.96553	2.1
57.03408	2.6
57.07061	1.7
58.74990	1.5
59.05005	1.7
67.05173	2.0
67.05504	31.5
68.99749	1.3
69.03425	11.5
69.07069	18.3
70.33259	4.9
71.04990	74.2
71.49813	1.3
72.88364	1.3
79.05487	19.9
81.03404	6.3
81.07052	33.3
83.04959	5.7
83.08617	49.4
85.02881	3.2
85.06548	8.2
87.04462	10.0
88.07623	1.4
91.05473	9.5
93.06553	1.7
93.07041	20.4
95.04955	4.7
95.08607	14.8
97.02872	2.2
97.06527	100.0
97.10167	75.5
99.04424	3.2
101.06017	1.4
101.09651	2.3
105.07047	6.6
105.40255	1.3
107.04898	1.4
107.08594	22.6
109.02854	3.8
109.06493	2.1
109.10155	15.5
110.03638	1.7
111.08055	3.7
113.05959	1.5
116.78001	1.4
117.06982	5.2
119.08557	1.9
121.06483	2.5
121.10115	6.1
125.02325	1.5
125.09627	42.4
127.03936	11.5
127.07607	1.6
128.06192	1.3
129.06944	3.5
130.96239	1.5
131.08539	5.0
133.10094	4.7
135.07986	6.1
135.08908	1.4
135.11682	9.5
142.07738	3.8
143.08488	3.6
149.13216	5.3
153.09120	1.3
153.12775	1.7
157.10121	9.6
159.11661	6.6
171.11659	6.2
177.12747	7.0
185.09602	2.0
189.11269	9.7
195.07832	1.6
195.11938	2.5
195.13788	46.5
198.10429	1.5
213.03749	1.9
213.05594	2.8
213.09172	8.1
213.13023	4.1
213.14793	94.7
213.16362	7.0
230.59677	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.03923	2.6
54.44371	1.1
55.01871	15.5
55.05511	69.7
56.96566	11.4
57.03428	1.8
57.07065	3.5
57.38791	1.2
59.04993	3.1
67.05504	28.6
69.03399	5.9
69.06731	1.4
69.07067	18.1
69.45677	11.5
70.06591	2.1
71.04993	64.1
72.93784	1.4
75.96593	1.3
78.87074	1.2
79.05495	19.6
81.03389	3.6
81.07056	32.7
83.04966	7.6
83.08617	51.8
85.06518	5.6
87.04473	10.8
88.07615	3.3
90.94805	1.7
91.05469	7.5
93.07050	20.7
94.06537	4.8
95.04931	4.2
95.08601	11.6
97.06532	100.0
97.10166	57.3
98.21512	2.7
101.09615	2.5
105.06998	5.5
107.04934	2.9
107.08592	25.4
107.98164	1.4
109.06506	2.5
109.09557	1.5
109.10158	14.3
109.99061	1.6
110.09016	1.4
111.04475	1.5
111.08058	5.8
116.98613	2.2
117.06991	5.0
119.08549	2.5
121.06458	2.2
121.10127	3.1
125.09628	39.3
127.03918	2.5
128.06233	1.5
129.07001	3.6
131.08507	5.8
133.10065	4.5
134.99655	2.4
135.08054	7.1
135.11652	4.1
137.05940	1.6
141.07005	1.6
142.07768	2.3
143.05373	1.4
143.08514	4.3
143.10582	1.5
145.10025	3.0
148.97308	5.2
149.01195	4.1
149.09657	1.8
149.13228	4.8
153.00719	1.4
153.09097	3.4
157.10109	8.5
159.11670	7.5
167.07021	1.6
169.10098	1.4
171.07982	1.6
171.11665	7.7
177.12721	9.5
185.09540	1.9
185.13153	2.0
189.11229	6.9
195.13806	37.3
207.98701	1.8
213.09052	3.2
213.12907	4.1
213.14787	81.1
213.16429	7.3
219.16585	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
53.03930	4.2
55.01872	17.8
55.05508	79.5
56.96564	10.0
57.03411	3.6
57.07076	5.1
57.55183	1.8
67.05505	33.7
69.03416	12.1
69.07070	19.1
71.04989	70.7
79.05124	1.9
79.05483	21.6
81.07054	40.9
82.13490	1.9
83.04945	8.5
83.08617	57.9
85.02861	2.5
85.06521	7.6
86.09676	2.4
87.04475	11.9
88.07603	5.0
91.05470	12.1
93.07048	22.7
95.04939	3.3
95.08614	14.6
97.06525	100.0
97.10162	65.4
98.06841	1.9
101.09618	2.4
102.83221	2.3
103.96474	2.1
105.06981	6.5
107.04929	2.4
107.08591	27.0
109.06477	2.8
109.10139	17.1
111.08051	4.0
116.94230	2.2
116.98579	2.6
117.06966	3.9
119.08494	3.6
121.06485	4.7
121.10082	7.4
125.08774	2.9
125.09627	43.1
126.52825	1.9
129.07013	3.7
131.08525	8.0
133.10051	5.4
134.99632	3.1
135.08031	6.2
135.11639	7.4
137.05923	5.6
143.08485	4.9
145.09972	2.7
148.97266	5.6
149.13231	5.6
153.09016	2.3
157.10136	13.8
159.11624	5.9
167.06981	2.0
167.08250	1.9
171.11688	10.7
177.12674	6.7
185.13239	2.3
189.11206	9.9
195.13802	42.4
200.67279	2.0
213.12622	6.5
213.14781	97.5
213.16423	9.0
214.10634	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	213.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23617	1.1
53.03945	3.4
55.01867	3.7
55.05501	4.1
56.05019	2.3
56.96565	14.9
57.07071	1.8
60.04525	1.2
61.02924	10.0
65.03939	9.0
67.05496	6.0
68.05018	1.4
68.99805	1.2
69.03428	2.8
69.07068	3.9
70.06590	12.6
70.83009	2.8
71.04977	1.3
71.08626	1.2
72.08151	12.5
72.93792	3.0
73.02885	1.3
77.03951	1.5
79.05490	17.9
81.03422	2.7
81.07048	2.6
82.02948	2.3
82.06580	1.8
83.04968	3.1
83.06116	1.5
83.08607	2.0
84.04498	1.9
84.08132	3.4
85.02905	2.7
86.06034	1.0
86.09708	10.1
88.07630	1.6
88.12312	1.0
88.95301	1.3
89.03902	1.9
90.94803	1.2
91.05473	7.9
93.03412	2.8
93.07037	4.3
94.04176	1.6
94.06565	1.3
95.04964	8.1
95.06081	1.1
95.08601	2.4
96.04519	1.1
96.26341	1.0
96.80197	0.9
97.02897	2.1
97.06511	2.3
97.07631	1.0
97.10218	1.4
98.97581	4.3
99.04441	1.9
99.05578	2.4
103.05438	1.3
105.03388	2.3
105.04491	1.8
105.06973	1.0
106.96311	1.1
107.04952	29.2
107.08581	2.2
108.02097	3.9
109.02936	2.4
109.03910	0.9
109.06508	1.5
110.03666	24.9
110.07178	2.0
111.04450	18.0
116.07115	1.3
116.98621	5.7
117.03345	2.1
119.04940	2.6
121.06502	16.6
122.03653	4.4
122.09679	1.5
123.04450	1.1
124.05194	1.3
125.05991	57.5
127.03891	2.8
127.08635	1.2
129.06992	2.2
130.96320	2.1
131.99654	1.1
133.02838	12.9
134.99666	6.3
135.04417	24.4
135.05405	1.6
137.05983	4.4
139.05504	1.0
140.04707	1.3
141.05461	6.1
143.00166	1.0
146.99622	2.1
148.97363	13.4
149.05975	21.7
149.09607	1.2
150.00757	2.3
150.03128	11.7
150.09206	1.5
151.03906	100.0
151.05009	8.2
152.04300	1.8
153.05460	14.5
154.06097	1.2
154.09712	1.4
158.99657	1.4
161.01198	2.0
162.03181	2.8
163.03877	7.5
165.05476	38.7
166.98375	1.3
167.07043	16.3
167.08426	2.4
167.11824	2.5
174.00763	4.2
175.04044	1.3
177.00702	1.6
177.05466	20.6
188.92459	3.9
189.97704	3.4
192.01776	1.3
195.06529	15.8
195.08214	2.1
207.06644	1.2
207.98711	2.6
212.99725	1.6
213.01901	1.5
213.05479	3.9
213.07556	5.3
213.09378	2.5
213.12439	2.9
214.10841	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86564	0.9
52.41453	1.0
54.03453	4.1
55.01857	4.2
56.05037	7.7
56.96547	1.7
57.07072	1.3
58.06600	6.7
58.52788	1.0
65.51965	1.1
67.05492	2.4
67.27606	0.9
69.07066	51.5
70.06593	16.2
70.24008	2.3
70.24403	2.3
71.06101	2.1
72.04503	3.6
72.08154	8.5
73.02905	2.3
74.02443	2.0
79.05494	2.9
80.70544	1.0
82.02942	37.7
82.06567	3.4
83.01337	1.6
83.03712	2.6
83.06107	1.4
84.04494	11.2
84.08142	65.0
85.02896	3.2
85.08920	13.5
86.09702	77.8
93.07012	1.6
94.06544	3.3
95.04988	1.3
95.08591	3.0
96.04488	6.2
96.08099	3.4
98.09681	1.4
99.05574	62.8
100.03969	5.0
101.02402	1.2
105.07018	2.4
107.07332	4.6
107.08589	11.2
107.21310	0.8
110.06040	11.7
110.07135	1.3
110.09660	3.3
111.05544	2.3
112.07611	2.2
113.54469	1.0
114.09161	1.2
117.06611	10.4
122.09667	40.8
124.07587	7.9
124.11170	1.6
124.65591	0.9
128.03447	6.1
138.09132	3.1
139.12291	16.6
140.10690	4.1
142.08617	3.7
145.04926	1.4
145.06073	24.9
146.04483	12.4
148.97365	1.3
150.09138	36.7
150.10336	2.1
151.99759	1.1
167.11797	100.0
168.10223	1.5
168.12094	2.1
172.59102	0.9
182.04518	1.8
185.12875	7.1
196.09720	9.5
213.09010	1.5
213.12334	32.7
214.07346	5.6
214.10735	21.2
214.12755	1.6
217.58435	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
53.90637	0.4
55.01865	1.5
55.05507	2.4
56.05026	2.9
56.96567	5.9
57.03434	1.1
57.07079	3.3
59.06695	0.4
60.62619	0.4
65.03937	0.9
67.05499	6.1
68.05014	1.0
69.03427	2.7
69.07061	1.7
69.71546	1.4
69.71977	1.4
70.06592	8.8
71.04990	2.1
71.25957	0.4
72.08156	6.9
73.02906	1.5
79.05497	2.9
81.03415	2.4
81.07052	2.1
82.02944	0.5
82.06586	1.1
83.04984	1.6
83.06107	0.7
84.04504	60.0
84.08142	100.0
84.96035	1.3
85.02906	2.8
85.06564	0.6
85.08478	0.9
86.09709	5.9
87.04460	0.5
88.07601	0.6
91.05481	4.3
93.07039	3.5
94.06526	0.5
95.04970	1.5
95.06086	0.4
95.08593	1.7
96.04526	0.4
97.02885	2.4
97.06541	1.3
97.22804	0.4
98.97584	3.8
99.04446	1.1
99.08124	0.5
102.05549	1.6
103.05461	0.6
105.07021	2.4
106.06558	1.8
107.04981	0.8
107.07375	0.6
107.08602	3.0
109.02874	1.3
109.06545	0.6
109.36045	0.4
110.03657	0.8
110.06040	0.5
110.07176	0.8
111.04472	0.7
111.08080	0.5
116.07083	1.3
116.98631	4.3
117.05747	0.5
117.07070	0.5
119.01929	0.5
119.04946	3.2
119.08593	1.0
120.08148	0.7
121.06518	2.4
121.10098	1.9
122.06052	0.6
122.09662	0.6
123.08079	1.2
124.07608	2.3
125.09631	1.5
127.03925	2.2
128.06242	1.4
128.98628	1.3
129.06927	1.3
130.04997	11.7
130.05946	0.8
130.96313	0.6
131.08591	1.2
132.08104	1.9
133.06497	1.6
133.10150	1.8
134.99644	4.2
135.04453	0.5
135.08063	0.5
135.11722	0.8
139.05406	0.7
139.07516	0.4
140.00293	0.5
140.04666	0.5
141.05502	1.0
141.06970	0.6
143.00139	1.0
143.08542	0.5
145.02864	0.6
146.99615	2.7
147.04395	2.1
148.97369	2.6
149.01210	0.7
149.06010	0.5
149.09639	2.1
149.10742	0.8
150.09142	14.4
153.00812	0.5
153.05469	0.5
155.02284	0.7
157.06505	1.3
157.10123	0.7
158.99675	0.6
161.01234	2.0
161.03018	0.5
163.03960	0.6
165.00810	0.6
165.05511	0.4
165.09143	0.5
165.22191	0.4
167.03427	1.7
167.04829	0.7
167.07053	1.5
167.08481	0.7
167.10623	0.5
167.11855	1.3
168.10205	1.7
173.06473	0.4
175.03900	3.6
177.00696	2.3
177.05548	1.2
177.09117	1.9
177.12662	0.5
178.08698	0.5
179.02283	0.5
185.06029	1.2
185.09668	0.4
185.16522	0.4
189.00793	0.5
190.04437	0.4
192.04170	0.7
195.06476	0.9
195.08121	1.0
195.10022	0.8
195.11633	0.5
195.13815	0.6
196.09683	9.3
198.06874	0.5
201.00787	0.4
201.05824	0.5
202.06754	0.4
205.65031	0.4
207.06528	2.9
207.98672	0.5
213.05579	2.3
213.09195	1.5
213.12444	3.1
219.01895	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0757
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03933	4.1
55.01856	4.0
55.05497	4.7
56.96561	20.5
57.03431	1.4
57.07064	2.3
59.06113	1.2
60.21533	1.2
61.02920	10.3
65.03942	10.2
67.05505	7.0
68.05021	1.9
69.03406	4.1
69.07053	2.7
70.00800	1.3
70.06593	13.0
70.94246	1.3
71.01347	1.5
71.04984	1.7
71.10818	3.0
72.08154	20.8
72.93780	1.7
79.05487	25.0
81.03411	2.7
81.07040	4.6
82.06584	1.8
83.04958	3.7
83.06086	1.7
83.08598	2.4
84.04512	3.3
84.08122	1.7
84.95994	1.4
85.02881	3.4
86.09697	14.7
88.07621	3.9
88.95279	1.9
91.05458	8.8
93.03391	4.0
93.07021	4.1
95.04945	10.2
95.08630	1.5
96.04485	2.0
97.02861	2.4
97.06500	3.9
98.97570	4.1
99.04453	2.7
99.05566	2.0
103.05467	1.5
105.03390	2.1
107.04948	31.8
107.08596	2.0
108.02090	3.0
109.02892	1.7
109.06480	1.4
110.03650	25.9
110.07139	1.3
111.04443	19.9
116.07097	1.6
116.98605	4.2
119.04916	2.8
121.06493	17.5
121.10139	1.8
122.03640	7.5
123.04358	1.1
125.05983	63.4
127.03883	3.3
128.06198	1.2
130.96332	1.8
131.99701	1.7
133.02832	11.4
134.99651	5.5
135.04408	30.4
135.08044	1.5
137.05966	7.5
141.05464	6.8
141.28935	1.4
143.06961	1.6
146.99661	1.5
147.04486	1.6
148.97362	13.2
149.01230	1.6
149.05963	24.6
150.00789	2.8
150.03101	14.4
151.03902	100.0
151.05011	9.5
153.00671	1.4
153.05475	15.6
161.01189	5.0
161.98450	1.3
162.03146	1.8
162.99124	1.2
163.03856	9.0
165.05469	38.1
165.97520	1.8
166.05914	1.2
167.07034	19.1
167.08385	1.9
167.11736	1.3
168.01865	1.5
174.00739	4.0
175.03932	1.4
177.00621	2.6
177.05458	23.9
179.02245	1.7
184.05141	1.7
185.16483	1.3
188.92479	2.2
189.02011	2.0
189.97684	3.5
192.10701	1.2
195.06541	14.5
195.08096	1.9
201.52991	1.2
207.01813	1.4
207.06467	1.7
207.98637	1.7
213.05505	6.2
213.07549	6.1
213.09311	2.5
213.12392	3.6
213.18492	2.5
214.10818	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0916
Annotation	CJ 14877
Peak:m/z	Relative Intensity
53.03939	1.2
54.03461	0.5
55.01873	4.7
55.05502	2.6
56.05038	1.3
56.96570	3.0
57.02259	0.5
57.03426	2.9
57.07072	2.6
60.88997	0.4
65.03938	9.7
67.04244	2.0
67.05502	68.5
68.05032	1.6
68.05836	1.1
69.03422	1.5
69.07068	2.6
70.06583	2.3
70.84657	1.4
71.04994	0.8
72.04525	0.8
73.02545	0.9
73.02914	8.7
79.05492	3.2
80.05009	5.2
80.05809	0.6
81.03431	2.7
81.07043	0.8
82.02934	1.4
82.06577	26.6
83.01342	2.0
83.03718	0.6
83.04984	2.2
83.06909	1.0
83.07358	8.2
84.04508	1.2
84.07764	1.6
84.08140	41.9
85.02897	12.1
85.06547	1.3
85.08459	3.5
86.09693	0.8
91.05479	3.2
93.07042	3.7
94.06565	29.8
95.01336	1.1
95.04961	3.8
95.06131	0.5
95.06857	0.6
95.07431	0.5
95.08608	1.6
96.04515	0.7
96.08125	2.2
97.02879	1.4
97.06529	1.2
98.06044	1.3
98.97565	1.1
99.00841	0.6
101.02356	1.4
103.05480	2.3
103.73834	0.5
105.07021	2.4
106.06550	1.5
107.04946	0.9
107.08562	0.8
108.03799	0.8
108.04478	11.7
108.08092	0.8
109.06495	0.6
110.06023	2.8
110.09669	1.9
111.04391	0.8
112.07608	2.3
113.02361	3.9
116.98625	1.4
117.05759	0.8
117.06995	0.5
118.06532	0.8
120.08107	15.0
120.08912	0.5
121.06518	2.8
121.08453	2.1
122.06043	4.6
122.09758	0.5
124.07608	1.0
125.06041	0.6
128.98602	0.8
130.06546	0.8
130.93327	0.5
130.96291	0.5
131.04922	2.4
131.07327	0.6
132.08116	2.4
133.06427	0.7
134.05981	0.6
134.99673	0.7
135.08073	0.5
135.11670	0.8
136.07581	0.6
138.09161	3.6
138.11073	0.9
139.05353	0.8
140.07077	4.6
146.04480	0.7
146.99590	1.1
148.07559	7.2
148.08662	0.7
148.97382	0.6
149.06013	0.6
149.07932	4.5
150.09138	0.5
152.07091	1.3
153.01828	1.6
157.42519	0.6
161.01144	0.9
166.08641	3.4
166.10608	3.1
168.07401	1.2
176.07062	1.3
177.09064	0.6
179.02292	0.8
184.09744	3.6
194.08116	7.6
194.12439	0.6
212.09167	100.0
213.05515	1.4
213.09505	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19947	0.5
52.26242	0.5
54.03447	0.8
54.42389	0.4
55.01867	3.0
55.04214	0.5
55.05502	1.2
56.05033	14.9
56.96562	2.7
57.03408	0.7
57.07077	2.7
61.02943	0.5
67.05508	1.5
68.05045	0.7
69.03413	1.0
69.07057	3.8
69.75858	1.0
69.76279	2.1
70.06575	1.0
72.04514	2.5
73.02901	0.7
77.16284	0.4
81.03402	1.1
82.02939	41.8
82.06549	0.8
83.01354	0.6
83.04964	0.5
84.04500	13.9
84.08138	0.9
85.02912	2.4
85.06538	15.5
86.09699	0.8
94.06592	0.7
96.08115	0.7
97.02885	0.5
98.02405	1.6
98.97569	1.1
100.03977	7.4
110.02400	7.5
110.06049	0.5
110.09683	2.6
116.98635	0.6
120.08109	1.0
124.03971	1.2
128.03432	100.0
128.98465	0.5
129.03806	1.1
134.99646	0.5
138.09149	4.2
142.04980	1.2
144.02901	1.1
146.99626	0.9
148.86847	0.6
166.08600	1.6
184.09683	7.6
188.92336	0.6
189.00648	0.6
206.98874	0.6
212.09171	7.3
212.10995	0.6
212.16396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58464	0.3
53.03934	0.4
54.03466	0.8
54.59815	0.3
55.01869	4.1
55.05508	1.1
56.05033	16.4
56.96563	4.4
57.03436	2.1
57.07070	3.0
65.07278	0.3
67.05501	1.7
68.05034	1.0
69.03421	1.5
69.07063	4.7
69.99271	2.0
70.06588	1.7
70.07390	0.4
71.01347	0.7
71.05009	0.6
72.04510	3.2
72.08158	0.9
72.93777	0.4
73.02917	1.3
73.48084	0.3
79.05466	0.5
80.04998	0.8
81.03397	1.8
81.07050	0.8
82.02938	47.7
82.06582	1.0
83.01318	0.6
83.04974	1.5
83.06066	0.4
84.04500	16.4
84.08131	2.3
85.02905	3.3
85.06538	13.7
86.06044	0.5
86.09708	1.1
88.03938	0.3
91.05489	0.6
92.89697	0.3
93.07063	1.0
94.06562	0.8
95.04934	0.6
96.04494	0.9
96.08128	1.2
97.02876	1.4
97.06499	0.7
98.01251	0.3
98.02412	2.4
98.06030	0.7
98.97578	1.5
100.03970	7.2
106.06541	0.5
108.08086	0.5
110.02399	8.3
110.06007	0.4
110.07150	0.8
110.09686	3.5
110.78356	0.4
111.04435	0.4
112.07568	0.4
114.05503	0.5
116.98624	1.9
119.01811	0.6
120.08123	2.7
122.05977	0.7
124.03935	1.2
124.07555	0.5
125.51263	0.4
128.03432	100.0
128.98619	0.4
129.03773	0.7
134.05986	0.3
134.99643	1.8
136.07539	0.4
138.05487	0.4
138.09143	3.7
142.04970	0.3
142.08620	0.5
143.00137	0.4
144.02881	1.2
146.02283	0.6
146.04346	0.4
146.99634	1.3
148.97337	1.0
149.01176	0.5
151.03882	0.6
152.07001	0.4
153.01869	0.4
158.99701	0.5
161.01230	1.3
163.04004	0.4
164.97836	0.4
165.00699	0.9
166.04878	0.5
166.08623	2.2
166.10495	0.5
167.06865	0.4
174.00729	0.6
177.00734	0.5
184.09677	8.5
188.92458	1.0
189.00648	1.1
189.97658	0.4
194.08012	0.7
201.00612	0.4
206.98920	0.7
207.01759	0.6
212.07120	0.5
212.09138	8.1
212.10938	0.7
212.12675	0.4
212.16524	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03467	1.4
55.01868	4.0
55.05518	0.6
56.05032	15.9
56.96560	4.8
57.03434	1.3
57.07071	3.2
64.07055	0.4
65.03921	0.8
67.05493	2.6
68.05026	1.6
69.03426	5.0
69.07060	2.4
70.06598	1.8
70.37557	1.5
70.98138	0.6
72.04512	3.3
72.93771	0.5
73.02926	0.9
75.04491	0.8
78.48492	0.3
79.05492	0.5
80.05016	0.5
81.03410	2.2
82.02937	50.2
82.06580	1.6
83.01344	0.6
83.03261	0.4
83.04986	1.0
84.04501	14.8
84.08141	11.6
84.08527	0.3
85.02901	2.1
85.04836	0.4
85.06540	14.6
85.07932	0.5
85.08468	7.2
90.94836	0.8
91.05454	0.4
93.07053	0.7
94.06569	1.1
95.05006	0.4
95.06112	0.4
95.81957	0.3
96.04513	0.8
96.08122	1.8
97.06551	0.4
98.02416	1.5
98.06020	0.7
98.97588	1.4
99.04448	0.9
99.05608	0.4
100.03972	7.9
107.04931	0.4
108.08087	0.7
109.46235	0.4
110.02394	4.3
110.05981	0.4
110.07231	0.4
110.09683	3.8
111.02925	0.4
112.07606	0.9
113.96429	0.7
116.07048	0.4
116.98641	0.9
119.01927	0.8
120.08084	2.1
124.07593	0.8
127.00760	0.4
128.03432	100.0
128.10721	0.5
128.98607	0.6
129.03787	1.0
131.00081	0.4
131.78284	0.4
131.97362	0.4
137.05975	0.5
138.09134	4.1
140.07135	0.5
142.08675	0.9
143.97353	0.4
144.02914	1.1
145.03505	0.4
146.99660	0.8
149.01257	0.5
149.05968	0.7
152.02251	0.4
152.07089	1.3
161.01218	0.9
161.02885	1.2
166.08609	1.8
170.99738	0.5
176.98396	0.4
184.09673	9.1
189.00746	1.0
190.98630	1.6
194.08052	2.8
204.98035	0.6
205.00000	0.4
207.01797	0.8
208.99686	0.5
212.09161	8.5
212.11060	1.7
213.12317	0.4
218.93549	0.4
223.01205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03947	1.9
55.01871	2.6
55.05258	1.6
55.05510	20.6
56.34174	0.8
56.96565	2.0
57.03439	7.9
57.07076	4.8
59.04984	1.3
65.03949	1.3
67.05504	32.2
69.03417	3.9
69.06725	1.4
69.07067	18.0
70.75591	0.8
71.04989	6.4
71.08616	1.9
71.59344	1.6
79.05487	9.4
81.03411	7.5
81.07058	37.5
83.04984	11.5
83.08614	11.6
85.02897	1.0
85.06539	7.4
91.05482	10.6
93.07043	24.4
95.04971	7.0
95.08607	54.2
96.08946	1.0
97.06522	9.6
97.10178	4.3
99.08092	3.5
105.07033	13.7
107.04921	1.0
107.08591	30.3
108.05712	1.0
109.06522	15.5
109.10155	100.0
110.10490	1.6
111.08082	42.3
113.06001	2.2
113.09642	1.7
115.05480	0.9
119.01952	1.0
119.08583	44.2
121.06507	1.3
121.10143	27.5
122.07278	1.5
123.04429	0.8
123.08071	49.9
123.11705	19.6
125.09635	5.4
127.07495	1.4
127.11167	2.2
129.06949	0.9
131.08575	2.8
133.10129	41.2
135.08076	1.3
135.11697	43.9
136.12036	1.0
137.09616	92.3
137.13216	5.5
138.10417	9.3
139.11171	3.3
145.10104	1.2
147.11700	7.5
148.07559	0.9
149.09605	2.2
149.13261	13.5
151.07550	1.1
151.11185	6.4
151.14818	9.5
152.07101	4.3
153.01837	1.2
155.08553	2.2
155.10652	0.9
157.10165	1.6
160.12498	1.1
161.55475	0.8
163.11176	3.4
163.97653	0.9
165.12733	11.8
165.16408	3.5
167.07057	2.5
167.08403	1.0
169.10115	8.2
175.14822	50.8
175.84424	0.8
176.15140	1.0
178.13533	2.2
180.79285	0.7
193.12221	2.5
193.15878	28.3
194.08125	2.3
196.12471	1.3
202.45799	0.8
205.98828	1.7
211.07556	1.1
211.11134	1.1
211.13206	0.9
211.14862	6.2
211.16946	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	211.1693
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
51.17132	0.7
51.81499	0.8
53.03955	1.0
55.05513	14.4
57.03447	1.9
57.07073	3.4
59.04997	2.3
65.03959	1.1
67.05505	30.8
69.03432	10.2
69.07070	15.7
71.04988	4.0
71.08619	1.1
71.18685	2.1
73.90481	0.8
79.05488	6.9
81.03423	2.4
81.07058	30.1
83.04989	13.4
83.08617	10.3
85.06535	4.8
91.05480	5.3
93.07042	12.4
95.04977	4.2
95.08607	39.9
97.06529	1.2
97.10165	3.4
98.97601	1.8
99.08101	4.5
105.07021	7.6
107.08593	26.6
109.06514	14.1
109.10156	100.0
111.08087	4.1
113.09650	1.5
117.07011	1.0
119.08586	23.2
121.10143	10.4
123.08057	14.4
123.11716	8.9
125.09634	2.5
127.11123	1.3
131.83023	0.8
133.10124	18.8
135.11690	61.1
137.09615	15.9
139.11154	2.3
147.11700	2.2
149.13274	5.7
151.11194	10.3
151.14818	10.9
153.12746	1.9
155.08612	1.0
165.12685	1.1
165.16406	2.5
169.10179	1.3
175.14838	18.8
193.12206	1.3
193.15872	14.4
211.14896	1.7
211.16945	2.0
226.90230	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.5
54.24145	1.5
55.01851	3.2
55.05508	28.7
56.96572	6.3
57.02847	1.5
57.03433	10.2
57.07073	8.3
59.04996	9.8
61.02913	1.5
63.58258	1.2
65.03930	1.7
67.05501	42.1
69.03428	14.0
69.07064	35.6
70.06550	1.9
71.04989	46.4
71.08639	2.2
71.59395	2.4
79.05486	19.6
81.03421	17.0
81.06583	2.9
81.07053	56.6
83.04978	21.4
83.08619	22.4
85.06539	12.2
91.05469	14.4
93.07041	46.5
94.07378	1.3
95.04965	16.7
95.08604	74.1
96.08974	1.5
97.02883	1.7
97.06532	19.3
97.10139	5.4
98.97566	2.6
99.04430	5.8
99.08103	13.0
101.05981	2.0
105.07024	25.1
107.04930	2.7
107.08588	52.7
109.06501	16.4
109.10153	94.7
110.10467	2.1
111.08084	9.4
113.09658	3.6
115.07558	9.6
116.98582	1.6
117.07001	2.4
119.01822	1.8
119.04920	1.8
119.08578	41.7
121.10135	29.3
121.10958	0.8
123.04445	1.7
123.08073	20.1
123.11700	58.2
125.09626	7.9
127.07520	4.5
129.07019	2.3
131.08525	2.8
133.10130	39.7
135.11687	100.0
137.08644	2.3
137.09604	23.2
137.13199	3.4
139.11171	3.4
141.09041	3.5
141.12743	2.5
145.10054	1.9
147.08025	1.6
147.11673	12.8
149.13254	12.2
151.11195	11.0
151.14816	10.1
152.33609	1.3
153.01805	6.4
153.12740	15.7
154.07779	1.7
155.08553	4.0
155.10631	8.4
157.10138	3.6
163.97595	2.7
165.12708	2.6
165.16322	2.8
167.07066	6.6
167.14322	1.5
169.10127	11.8
175.11172	3.7
175.14821	46.4
179.07039	1.4
181.10072	2.3
183.11636	1.4
193.08571	1.6
193.12262	8.0
193.15883	24.0
196.12416	1.8
205.98758	1.9
211.07545	2.4
211.11104	2.2
211.13190	2.4
211.14856	9.1
211.16891	51.4
212.17030	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03938	1.1
55.01851	1.4
55.05258	1.4
55.05506	18.7
57.03416	3.3
57.07058	3.7
59.04989	2.6
65.03918	1.3
67.05501	31.9
69.03423	7.6
69.07057	17.3
70.51888	3.4
70.86333	0.9
71.04980	5.8
71.08591	1.7
72.99720	1.0
79.05487	7.6
80.74891	0.9
81.03401	2.9
81.07050	32.8
83.04977	10.7
83.08617	12.7
85.06545	5.8
91.05014	1.1
91.05478	9.1
93.07043	15.8
95.04963	5.7
95.08601	45.1
97.06525	4.6
97.10173	2.7
99.08064	3.9
105.07014	10.4
107.08582	25.7
109.06509	11.3
109.10148	100.0
110.10487	1.9
111.08079	16.0
113.09655	2.1
115.07621	0.9
119.08573	32.0
121.06518	1.9
121.10138	18.1
123.08062	24.5
123.11704	14.0
125.09598	3.2
127.11148	1.2
131.08588	1.0
133.10133	24.7
135.11681	58.2
137.06015	1.0
137.09610	39.5
137.13229	1.1
138.10353	4.2
139.11180	2.7
147.11673	4.3
149.13264	8.5
151.11171	9.6
151.14822	10.4
153.01817	2.5
153.12700	2.2
155.08577	1.6
165.12758	5.0
165.16373	3.4
167.07021	4.6
169.10100	3.8
175.14816	27.8
193.12215	1.2
193.15884	18.9
211.14957	1.9
211.16914	9.1
213.49101	1.0
215.17242	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03951	1.5
53.85942	1.2
55.05507	16.2
57.03429	5.3
57.07060	4.0
59.04987	4.6
59.88578	1.1
67.05498	30.7
69.03420	9.9
69.07062	20.7
70.23333	3.8
71.04993	9.3
71.08611	1.1
79.05482	7.6
80.66769	1.1
81.03435	1.5
81.07050	36.6
83.04977	14.6
83.08610	11.8
85.06522	6.1
91.05467	9.6
93.07038	17.2
95.04966	5.4
95.08602	47.6
97.06511	3.3
97.10165	3.4
99.04427	2.0
99.08069	7.4
105.07027	10.6
107.08590	29.0
109.06508	12.0
109.10149	100.0
110.10475	2.0
111.08076	4.4
113.09650	2.1
115.07549	2.0
117.07042	1.2
119.01897	1.3
119.08574	30.3
121.10139	13.1
123.08047	16.1
123.11691	15.4
125.09653	2.2
133.10129	27.3
134.97087	1.1
135.11681	84.5
135.43285	1.2
136.12010	1.2
137.09601	16.7
139.11195	3.4
147.11667	2.5
149.13240	7.8
151.11176	11.3
151.14818	12.3
152.07048	1.3
153.01848	4.8
153.12749	4.6
155.08519	1.4
165.16386	3.1
167.07030	2.7
169.10179	1.3
175.14809	24.5
193.15852	18.5
211.14888	2.5
211.16913	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	211.1327
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
50.58637	3.3
55.01859	16.4
55.05503	23.7
55.34185	3.4
56.96553	33.0
57.03418	11.3
57.07061	6.4
67.05508	53.3
69.03418	6.6
69.07072	22.4
71.04971	8.3
71.60093	5.4
79.05497	32.2
81.03408	19.0
81.07054	100.0
83.04971	15.6
83.08607	16.2
85.02917	8.0
85.06538	8.8
90.70770	3.1
91.05478	56.9
93.07032	26.4
95.04962	21.5
95.08597	35.7
97.02891	4.4
97.06527	18.7
98.97575	4.0
99.08033	6.1
101.05898	4.6
102.05503	3.5
105.06368	6.0
105.07023	58.8
107.08596	19.1
109.06512	14.6
109.09359	3.3
109.10130	15.5
111.08121	5.1
113.05973	3.9
116.00198	8.5
116.98598	4.8
117.07040	5.0
119.01907	5.4
119.08578	41.1
121.10129	24.4
123.08030	9.8
123.11707	28.3
125.05956	4.5
125.09638	3.5
129.06989	15.1
131.08583	8.7
133.06500	4.7
133.10117	40.4
135.11690	8.5
136.23285	3.8
137.05997	8.1
141.07004	3.8
147.07999	5.6
147.11662	65.0
149.09648	4.7
151.07515	4.6
151.11198	10.2
153.01810	8.1
154.07719	4.4
155.08543	19.5
157.10088	27.3
163.97679	12.6
164.75095	4.4
165.12733	15.2
166.15465	3.4
167.07071	9.0
169.10135	40.2
175.11214	27.6
175.14777	5.5
181.10132	8.3
181.98785	8.8
183.11504	4.7
189.04327	3.9
193.09789	4.1
193.12259	13.3
196.12492	4.3
205.98785	12.1
206.10515	3.6
209.12801	3.9
211.05850	8.2
211.07678	5.2
211.11226	8.3
211.13075	8.4
211.14900	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03942	4.9
53.36472	3.4
54.79815	3.5
55.01865	15.0
55.05503	24.8
56.96311	5.7
56.96561	39.0
57.03432	11.1
57.07059	7.0
61.16457	4.1
67.05502	42.3
69.03422	7.8
69.07058	23.8
69.97234	10.2
69.97626	10.7
70.06586	4.7
71.04986	10.5
79.05486	35.8
80.04953	4.2
81.03412	25.5
81.07046	100.0
82.06589	4.5
83.04967	21.0
83.08612	14.4
84.95998	5.0
85.02898	9.7
85.06519	8.1
87.04450	4.7
91.04949	7.8
91.05468	67.6
93.07039	25.4
95.04965	20.8
95.08599	31.4
97.02852	6.5
97.06509	20.5
97.10183	5.4
97.99157	6.9
98.97535	4.5
99.04458	5.6
99.08065	6.3
102.05473	4.8
103.05441	3.9
105.07018	48.2
107.04992	6.2
107.08604	13.5
109.06502	17.8
109.10157	10.6
110.04182	4.3
111.04425	4.8
111.08102	7.1
111.11675	4.1
113.06020	6.7
116.00191	6.2
117.06992	4.4
119.08564	41.2
121.06504	5.1
121.10133	23.3
123.04408	4.8
123.08068	7.0
123.11697	27.4
129.07002	17.2
131.08583	8.0
133.10129	44.0
133.95399	4.8
134.99594	4.6
135.11668	11.8
141.06989	6.2
142.07774	5.7
147.11682	63.2
149.09673	5.7
151.07520	5.7
151.11185	17.8
153.01810	5.0
155.08545	18.0
157.10103	25.9
161.02873	6.6
162.88089	4.2
163.97670	13.4
165.00711	4.0
165.07019	6.2
165.12749	18.3
167.07069	9.0
167.08601	3.9
169.10109	29.3
175.11177	25.1
181.98758	11.2
183.11717	9.0
189.00658	6.3
191.03860	4.3
193.12212	20.6
194.08044	4.8
205.98778	19.5
211.07645	7.3
211.11021	10.7
211.13216	10.5
211.14987	29.7
211.16814	8.1
222.93585	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	211.1328
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
51.41797	0.9
52.03986	0.9
53.03946	4.4
55.01877	5.8
55.05509	42.5
56.96548	3.1
57.03432	16.8
57.07087	0.9
59.05006	1.5
61.02910	1.1
65.03931	2.1
67.05500	30.2
69.03430	12.2
69.07068	10.5
69.59480	2.5
69.59885	4.0
71.04990	5.7
75.56487	0.9
79.05489	33.0
81.03416	100.0
81.06571	2.1
81.07053	39.7
83.04976	52.0
83.08616	35.7
85.02885	3.2
85.06537	2.3
87.04460	1.1
91.05474	31.1
93.07039	16.9
95.04964	37.1
95.08601	15.6
97.02890	3.3
97.06530	3.9
97.10166	9.6
98.97591	3.8
99.08054	1.5
104.78800	1.0
105.07026	25.5
107.04974	8.3
107.08605	8.9
109.06491	6.3
109.10152	4.3
111.04443	2.9
111.08089	9.3
113.05914	1.3
115.05489	1.4
116.98601	1.4
117.06990	1.7
119.08575	20.1
121.06487	1.3
121.10135	7.5
123.08064	3.2
123.11707	2.1
125.09634	3.2
129.06996	12.1
131.08574	12.9
133.06473	4.0
133.10121	10.2
134.99666	1.1
135.11667	1.8
137.09637	3.2
141.07011	1.0
142.07774	3.7
145.10143	1.7
146.02295	1.1
147.08034	3.6
147.11703	15.1
149.09627	7.1
151.11124	1.7
153.01830	1.6
155.08533	2.7
157.10124	13.9
158.99611	1.1
163.97716	1.0
165.12749	4.2
167.07025	2.1
169.10153	7.1
175.11171	15.0
175.14719	1.0
181.10178	1.8
183.11633	1.6
189.00592	0.9
193.12239	36.6
196.12407	1.3
205.98773	1.3
211.05898	1.2
211.07713	1.2
211.11272	2.2
211.13135	11.2
211.15201	4.9
211.16817	1.6
214.64400	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.06
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.2
54.74972	0.1
55.01868	0.2
55.05506	0.5
57.03438	0.2
58.36590	0.1
67.01865	2.1
67.05497	0.4
68.99778	1.2
69.00043	0.1
69.03423	0.9
69.07063	0.3
70.84604	0.4
71.04988	0.3
73.02898	0.1
79.05499	0.4
81.03413	1.5
81.07049	0.8
83.01327	0.3
83.04976	0.7
83.08613	0.4
84.08121	0.1
85.02898	5.4
86.09698	0.1
91.05482	0.7
93.07049	0.4
95.04955	0.7
95.08612	0.4
97.02905	0.5
97.06531	0.3
99.04441	0.4
103.03938	0.3
103.05473	0.1
105.07043	0.4
108.19212	0.1
109.02873	0.3
109.06515	0.5
111.00774	0.6
111.08092	0.2
119.04920	0.2
119.08562	0.4
121.06526	0.2
123.04417	0.6
125.02331	0.3
127.03907	22.9
128.04303	0.4
128.51080	0.1
129.01860	0.4
129.06981	0.2
133.06436	0.1
147.11674	0.2
149.05992	0.2
151.03900	1.6
153.01817	100.0
154.02179	1.1
167.07114	0.8
169.04958	3.7
171.02872	3.4
175.11156	0.3
183.08037	0.1
193.04955	0.3
193.12228	0.3
194.08093	0.1
205.98717	0.1
211.05988	7.9
212.06287	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.06
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50261	0.1
59.58670	0.2
67.01855	2.2
67.05518	0.2
68.99771	1.4
69.03419	0.9
71.57998	0.2
74.06062	0.1
79.05468	0.2
81.03406	0.9
81.07042	0.2
83.01318	0.3
83.04971	0.2
83.08604	0.2
85.02901	5.8
95.04961	0.3
97.02888	0.7
97.52187	0.1
103.03952	0.3
109.02877	0.3
109.70068	0.1
111.00802	0.6
111.08121	0.2
112.44117	0.2
115.25957	0.2
123.04417	0.5
124.47267	0.2
125.02323	0.4
127.03911	22.6
128.04126	0.2
129.01845	0.5
151.03897	1.6
153.01817	100.0
154.02116	1.0
169.04947	3.4
169.98260	0.2
171.02876	2.4
193.04901	0.4
211.06007	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	211.0601
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
53.03942	2.1
55.01866	4.9
55.05512	4.6
56.96563	11.3
57.03436	2.5
57.07064	2.3
65.03951	2.0
67.05513	9.9
68.05021	2.0
68.99786	2.3
69.03428	5.1
69.07066	4.9
69.93415	3.3
69.93837	6.0
70.06590	5.3
70.95848	1.9
71.04993	4.5
72.93757	2.4
79.05492	5.2
81.03416	5.0
81.07051	7.0
83.04978	3.9
83.06082	2.1
84.04500	1.9
84.08141	3.7
85.02908	4.6
86.09731	2.0
91.05484	7.6
93.07038	3.8
95.04966	6.2
95.08602	5.6
96.76630	1.7
97.02889	3.8
97.06538	3.4
97.07628	2.5
98.97572	4.4
105.03349	1.9
105.07021	3.1
107.04938	2.7
107.08601	2.0
109.02882	2.0
109.06499	3.8
109.10157	4.5
111.04444	2.3
116.98624	4.2
119.04922	3.7
119.08570	3.5
121.06467	2.1
123.04431	92.7
123.08072	3.5
124.05120	1.5
128.98537	2.0
133.02882	3.0
133.10152	1.9
134.99678	5.1
137.05998	18.0
137.09657	2.5
138.05435	1.7
146.99632	4.1
147.04387	5.4
151.03961	3.8
151.07556	2.9
153.00697	2.1
153.01897	1.7
153.05562	1.8
158.01134	1.5
163.97711	7.4
165.05472	100.0
166.06105	2.1
166.08720	1.8
167.07028	12.1
169.02867	1.7
181.98755	5.1
183.08066	2.0
187.03990	2.4
193.04980	33.0
205.98776	11.6
211.05890	2.7
211.07681	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	210.076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77816	0.5
54.03452	2.0
55.01867	5.9
55.05268	0.6
55.05510	12.4
56.05032	22.6
56.96551	0.9
57.03424	0.8
64.41843	0.5
65.03944	0.9
67.04244	2.5
67.05492	2.0
68.04571	1.0
71.13795	1.4
72.04513	4.4
80.05003	1.3
81.03422	1.4
82.02937	64.1
82.06570	9.5
83.01329	0.7
83.04971	14.1
83.06898	7.3
84.04494	16.9
84.08105	0.9
85.02889	1.8
90.49044	0.6
91.05476	2.1
92.05007	6.6
93.05779	7.5
93.07040	0.6
94.06573	3.4
95.04983	0.6
98.02400	0.7
100.03972	10.2
100.04570	1.1
102.04053	0.5
103.05459	0.5
106.06544	1.4
108.08110	4.6
110.02402	5.6
110.06038	2.6
116.05492	0.5
117.05730	1.1
118.06558	2.9
119.04945	0.5
120.04451	1.0
120.08092	0.8
122.05978	0.6
128.03432	100.0
129.03809	0.9
134.06006	0.5
135.06787	3.3
136.07573	10.3
138.05504	0.9
140.07054	0.7
144.02829	1.1
146.04562	0.5
146.06010	1.0
148.07555	1.0
159.93442	0.5
164.07098	3.6
164.81062	0.5
182.08113	9.7
192.06563	0.9
210.07605	9.0
210.09444	0.8
227.11125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52153	0.3
53.03945	1.0
54.03471	1.3
55.01872	6.2
55.05508	12.7
56.05033	21.7
56.96563	4.8
57.03430	1.4
57.07078	0.6
58.06583	0.5
65.03946	0.7
67.04236	0.9
67.05511	2.2
68.05019	0.6
69.03427	1.0
70.06589	1.3
70.64306	0.4
71.59054	0.6
72.04516	4.0
72.08147	0.6
72.93804	0.5
73.02917	0.9
73.07984	0.4
74.06071	1.2
79.05488	1.1
80.05027	2.6
81.03424	3.4
81.07036	0.4
82.02939	56.0
82.06583	3.9
82.94801	0.4
83.01328	0.8
83.03291	0.5
83.04979	14.0
83.06124	0.4
83.06914	2.0
84.04500	15.1
84.08134	6.9
84.08608	0.5
84.96007	0.6
85.02911	2.3
86.06023	0.6
86.09716	1.0
89.03922	0.4
90.45442	0.4
90.73313	0.4
91.05489	1.9
92.05004	5.0
93.05788	3.6
93.07047	1.0
94.06553	3.8
95.04958	1.1
95.06074	0.9
96.04465	0.7
97.02889	1.2
98.02402	1.1
98.06078	0.5
98.97576	1.0
100.03974	10.0
100.07597	0.6
106.06532	1.5
107.04940	0.5
108.08112	3.5
109.07586	0.4
110.02409	3.8
110.06024	1.7
110.07178	0.8
111.00241	0.6
112.07586	0.8
116.98634	1.5
117.01884	0.4
117.05686	0.6
118.06522	1.5
119.04953	1.1
120.04472	0.5
120.08103	1.8
121.06470	0.5
122.05998	0.7
123.04414	1.5
124.03966	0.8
124.07581	0.9
126.05449	0.5
127.08684	0.5
128.03432	100.0
128.72830	0.4
128.98546	0.8
129.03822	0.6
129.10226	1.4
132.05302	0.5
134.06015	0.6
134.99586	0.5
135.06790	0.7
136.07571	5.4
137.06053	0.4
138.03708	1.2
138.05463	0.9
140.07036	0.7
144.02898	0.9
146.06013	1.0
146.99643	1.2
147.04353	0.8
148.07521	0.8
150.05495	2.8
151.05920	0.5
161.01189	0.8
163.03914	1.7
163.97714	0.6
164.05768	0.9
164.07045	3.3
164.10661	1.4
165.00974	0.5
165.05469	0.6
165.10205	0.6
166.06845	0.6
177.04141	0.4
181.98688	0.6
182.08122	9.2
186.96785	0.7
187.04373	0.4
190.98650	0.6
192.06551	1.6
193.10872	1.0
205.98650	0.9
210.05771	2.9
210.07594	8.1
210.09531	0.6
210.11284	1.3
210.15598	1.0
211.10771	2.3
215.03926	0.5
233.04987	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.02349	1.9
53.03930	6.5
53.97030	1.5
55.01870	99.3
55.05510	65.6
56.05014	1.7
56.96565	9.2
57.03416	5.4
57.07058	5.7
59.04987	5.9
65.03953	10.0
67.05499	15.4
68.99798	1.7
69.03419	15.8
69.07069	13.8
70.06580	2.5
71.04989	9.8
71.58382	2.8
71.70052	1.5
73.02890	2.8
75.04441	3.1
78.04716	3.1
79.05488	21.5
80.05009	8.3
81.03401	6.2
81.07053	25.0
82.04213	1.8
82.06589	8.8
83.04978	88.6
83.08617	36.1
84.04491	4.7
84.08146	4.7
85.02894	12.2
85.06533	8.2
86.06053	5.4
87.04416	2.6
89.03912	5.2
91.05476	29.5
93.03390	5.7
93.07042	36.6
95.04966	42.2
95.08592	16.9
97.02868	2.8
97.06526	20.8
97.10178	8.6
98.03179	1.5
98.97563	3.2
99.04446	6.9
99.08090	2.6
102.05502	4.6
103.05466	19.7
105.07025	15.2
106.04165	16.5
106.06541	2.1
107.04977	12.4
107.08596	38.4
109.06523	37.1
109.10153	27.0
110.03637	1.8
110.06047	2.2
110.07125	3.4
111.04437	7.8
111.08070	12.9
113.51624	1.6
116.44311	1.8
116.98608	3.5
117.03342	4.8
117.07021	4.8
118.06555	2.4
119.04914	4.3
119.08538	7.4
120.08081	7.2
121.06507	42.1
121.10136	75.2
123.00782	9.8
123.04431	4.3
123.08051	7.6
123.11727	12.1
125.06023	8.9
125.09621	16.5
130.05008	14.6
131.04939	9.0
131.08543	7.6
133.10114	12.5
134.03622	5.0
134.99615	2.5
135.04420	13.3
135.08090	12.1
135.11684	5.3
136.07578	2.5
137.05972	5.2
137.09607	2.4
138.03094	2.7
138.06755	3.3
139.03865	5.6
139.07532	2.5
139.11163	2.3
141.01830	2.8
145.02838	4.3
145.06465	1.9
145.10127	4.3
146.05992	3.9
147.04401	4.5
148.05165	4.2
148.08688	2.2
149.02322	4.4
149.05980	51.3
149.09578	12.9
149.13280	11.8
150.06380	1.9
151.07445	2.0
151.11174	38.0
153.05472	7.9
153.09081	19.2
159.04364	5.2
161.01239	3.4
162.03113	2.5
163.03905	16.6
163.07533	4.4
163.08722	2.6
163.11154	3.0
163.14824	17.7
164.07062	1.8
165.05473	2.9
165.12798	2.0
166.06248	3.1
167.03391	2.1
167.06985	6.6
167.14310	60.3
171.40604	1.7
173.13240	6.8
177.05473	54.3
181.04970	5.2
181.08574	7.0
191.03366	5.4
191.07018	7.1
191.10635	4.0
191.14291	15.4
192.06561	3.2
194.02057	4.0
205.29582	1.8
209.04437	100.0
209.08044	17.0
209.09309	3.1
209.09834	3.0
209.11835	5.9
209.15334	65.1
210.04771	2.2
227.02426	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.13891	0.8
51.84645	0.7
53.03930	2.4
53.74121	0.9
55.01658	0.8
55.01870	8.2
55.05508	27.7
56.96550	1.9
57.03432	1.9
57.07076	6.5
59.04990	1.6
65.03944	1.4
67.05177	1.2
67.05502	14.6
69.03407	1.6
69.07062	6.1
71.04968	1.6
71.42590	1.6
71.42931	0.8
75.81998	1.0
79.05074	1.0
79.05492	17.1
81.03393	1.5
81.07053	21.5
82.06568	1.9
83.04977	100.0
83.08617	4.4
85.02872	1.4
85.06522	2.6
85.78001	0.9
91.05484	8.1
93.07035	27.3
95.04996	4.5
95.08601	18.7
96.02474	0.9
97.06494	2.0
97.10132	2.2
99.08029	1.3
103.05491	1.8
104.40712	0.9
105.07006	4.1
107.04916	2.0
107.08584	21.3
109.06519	4.4
109.10166	5.1
111.04432	2.0
111.08073	6.9
117.06995	1.6
117.55448	1.8
117.95947	2.4
119.08556	2.5
120.08101	3.5
121.06488	2.9
121.10144	12.2
123.08097	1.8
123.11708	2.3
125.06051	1.0
125.09612	2.4
131.08531	3.6
133.10088	2.2
135.08051	4.8
135.11681	2.5
135.97032	2.2
136.56241	1.3
137.09593	1.5
141.98389	1.1
145.10132	1.6
146.06033	1.7
147.04379	1.0
147.11681	2.4
149.05919	3.1
149.09601	5.7
149.13248	9.8
151.11150	1.5
153.05449	2.3
153.09071	3.3
163.08742	1.0
163.11105	1.9
163.14830	8.5
164.07089	1.5
165.06665	1.0
173.13228	3.6
176.61275	1.0
177.05457	3.2
180.09381	0.9
181.15730	0.9
185.61638	1.6
191.06973	1.7
191.14346	5.2
193.12405	1.0
194.12938	1.4
194.62183	2.0
196.01649	0.9
209.04329	5.6
209.06197	1.8
209.09361	4.7
209.15346	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01859	5.6
55.05263	3.1
55.05510	42.1
56.75743	1.8
57.03429	5.0
57.07076	9.0
59.04985	4.1
65.03911	2.1
67.05508	15.6
69.03423	12.0
69.07059	13.5
70.94696	4.4
71.04987	10.4
72.81931	1.8
79.05491	18.8
81.07061	25.8
83.01305	1.9
83.04479	4.4
83.04977	79.4
83.08607	16.3
84.22154	2.1
85.06524	4.5
91.05473	14.0
93.07029	25.0
95.04965	51.1
95.08595	16.0
97.06529	20.8
97.10170	7.5
99.04441	7.7
99.08089	7.2
103.05457	4.6
105.07045	15.6
106.04150	5.0
107.08598	37.7
109.06514	100.0
109.10155	30.3
111.04451	2.0
111.08054	10.7
119.08608	3.4
121.06499	10.2
121.10143	38.9
123.00800	2.0
123.08031	11.5
123.11713	9.4
125.05988	4.8
125.09632	41.6
131.08578	7.0
133.10130	21.5
135.08046	22.2
135.11694	4.5
139.07533	5.5
139.11174	3.4
139.46812	1.9
145.10115	5.4
147.11684	5.2
148.05176	2.2
148.88733	2.0
149.05969	8.4
149.09619	34.3
149.13245	19.1
151.11186	33.5
153.09094	31.4
158.10747	2.0
163.14804	8.5
165.12759	3.1
167.10719	2.8
167.14290	19.7
173.13264	15.1
177.05431	7.9
191.06972	3.4
191.14314	34.3
209.04411	14.8
209.07961	3.6
209.15355	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03936	4.6
55.01886	6.8
55.05267	2.4
55.05510	37.8
57.03423	3.8
57.07059	4.4
59.04985	1.6
59.57122	1.4
65.03925	2.4
67.05505	10.2
68.13924	1.3
68.99792	2.7
69.03410	4.3
69.07063	11.6
71.04975	7.6
71.50629	1.9
78.04665	1.6
79.05499	14.4
81.03389	1.9
81.06593	1.5
81.07052	21.9
83.04977	83.6
83.08617	21.6
85.02886	2.8
85.06522	2.4
91.05482	16.0
92.05786	1.6
93.03383	5.4
93.07034	17.2
95.04967	50.8
95.08588	12.5
96.05747	1.4
97.06531	19.2
97.10139	4.9
99.04476	6.9
103.05465	3.8
105.07037	9.4
106.04147	12.8
107.04956	2.6
107.08590	21.6
109.02810	1.7
109.06512	100.0
109.10147	25.7
111.04433	2.2
111.08081	10.4
113.09612	2.7
117.07034	1.5
119.04933	3.8
119.08582	4.4
121.05663	2.2
121.06494	16.1
121.10154	16.2
123.04376	1.8
123.08051	12.4
123.11702	8.6
125.05957	4.4
125.09623	12.2
127.07569	1.7
131.08549	5.0
133.10117	16.9
135.08057	16.8
135.11594	2.7
137.05951	2.0
139.07489	7.1
139.11194	1.9
143.08594	1.3
145.10114	3.1
147.04388	2.2
147.11670	2.7
149.02315	1.8
149.05977	16.1
149.09590	3.8
149.13275	8.0
151.11179	19.1
153.05466	2.0
153.09093	32.3
153.10315	1.8
156.60474	1.6
163.03854	1.5
163.07452	2.1
163.14825	4.4
167.07002	2.2
167.14301	31.8
173.13231	10.8
177.01895	1.7
177.04143	2.0
177.05562	7.6
181.08556	3.1
191.06989	2.4
191.14288	16.8
209.04491	7.3
209.08046	5.3
209.15349	67.9
210.24577	1.3
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
51.02391	1.7
53.03940	4.8
55.01874	13.4
55.05503	8.6
56.96550	4.2
57.03415	5.0
57.07063	3.2
59.04995	2.1
65.03937	11.3
67.05171	1.4
67.05498	17.1
69.03420	6.8
69.07063	8.0
70.85355	4.7
71.04982	5.2
71.08598	1.6
75.04462	5.3
78.04709	7.0
79.05492	22.8
81.03390	5.0
81.07053	25.3
82.06568	3.4
83.04992	8.7
83.08622	6.2
84.08150	1.4
85.02917	5.9
85.06535	4.8
89.03904	3.8
89.05996	1.5
91.05478	40.3
92.05762	1.5
93.03402	16.1
93.07035	28.2
94.06603	1.4
95.04965	43.9
95.08591	14.0
96.04457	1.4
97.02863	2.3
97.06525	37.9
98.97576	3.8
99.04458	7.6
99.08067	2.9
103.05464	16.1
105.03436	2.0
105.04498	2.3
105.07024	13.4
106.04170	45.5
107.04966	6.9
107.08589	25.3
109.06516	100.0
109.10156	24.2
110.06052	1.4
110.06761	1.5
111.04427	5.3
111.08073	5.7
113.05968	1.9
113.52544	1.2
116.98595	2.8
117.03358	4.8
117.06990	3.3
117.96017	1.3
118.04129	2.2
118.06502	1.4
119.01927	1.4
119.04939	3.5
119.08583	8.2
120.08096	7.5
121.06500	57.8
121.10131	21.2
123.00768	1.5
123.04423	1.6
123.08065	10.3
123.11690	3.8
124.05220	1.9
125.05989	12.0
125.09643	6.7
125.10423	1.3
129.06885	1.5
131.04913	6.1
131.08574	9.2
133.10127	25.7
134.03656	7.4
135.04364	5.1
135.08054	14.8
135.11667	5.7
136.07616	3.1
137.05942	5.2
137.09627	2.4
138.06708	3.8
139.07516	5.2
139.11156	1.4
145.02811	4.5
145.06462	1.6
145.10052	6.2
146.06001	3.1
147.04324	3.3
147.07999	1.7
147.11678	4.5
148.05185	4.8
148.51996	1.4
149.05977	59.8
149.09596	12.5
149.13225	7.4
151.03819	1.7
151.07541	3.9
151.11182	8.9
153.05466	5.1
153.09097	33.4
158.10915	3.0
159.04396	2.6
163.03931	3.0
163.07472	3.8
163.11134	5.4
163.14804	5.7
164.07050	5.8
165.05426	2.3
165.12733	2.9
166.06242	3.6
167.07014	4.9
167.14302	3.0
173.09486	1.7
173.13257	12.4
177.00740	2.5
177.05515	34.3
179.08484	2.8
181.06613	1.1
181.07152	1.5
181.08578	11.6
191.06989	5.1
191.10632	3.0
191.14297	17.4
192.06543	6.1
192.10152	1.6
194.10876	1.4
209.04448	17.3
209.08022	18.4
209.09827	2.8
209.11472	6.2
209.13589	2.1
209.15346	43.4
210.07637	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03931	8.6
55.01870	22.2
55.05515	23.5
56.96565	2.6
57.03417	9.6
57.07055	10.1
57.64781	2.7
59.04987	6.0
65.03933	12.5
67.05499	32.6
68.99790	2.5
69.03043	3.1
69.03420	24.5
69.07062	31.1
70.86832	2.2
71.04990	18.6
71.58994	3.1
71.59347	2.4
75.04469	9.0
77.03912	3.3
78.04700	9.5
79.05492	39.8
80.05018	2.4
81.03404	14.9
81.07055	56.1
82.06574	7.2
83.01303	2.5
83.04970	22.5
83.08595	9.1
84.08128	3.7
85.02875	7.1
85.06526	5.5
89.03891	9.9
91.05472	66.8
93.03409	19.4
93.07037	67.8
94.06544	3.7
95.04961	76.9
95.08596	51.0
97.06516	37.0
97.10109	4.7
99.04455	11.9
99.08076	10.0
103.05453	23.7
105.03341	4.3
105.04533	3.1
105.07014	37.6
106.04170	55.0
107.04971	15.6
107.08588	76.7
108.05726	3.4
109.05779	5.4
109.06505	86.7
109.10146	30.1
111.04436	7.2
111.08086	14.5
115.05448	5.7
117.03355	5.9
117.06974	9.0
118.06484	2.6
119.01890	5.1
119.04921	10.2
119.08574	18.6
120.08112	5.8
121.06493	85.6
121.10136	57.7
122.07256	3.9
123.00818	3.5
123.04427	5.9
123.08048	27.8
123.11692	15.6
124.05109	3.8
125.05994	20.5
125.09616	18.5
131.04926	14.6
131.08539	15.9
133.02826	2.5
133.06471	2.7
133.10109	41.3
134.03603	11.7
135.04410	7.5
135.08057	39.1
135.11691	22.3
137.05975	8.8
137.09575	7.6
138.06714	5.2
139.07524	9.3
139.11143	9.2
143.08554	2.9
145.02808	7.8
145.10114	23.0
146.05934	3.7
147.04353	2.4
147.08086	4.0
147.11702	20.3
148.05133	9.8
149.04967	4.2
149.05975	80.6
149.09608	28.2
149.13255	37.6
151.07487	8.1
151.11172	100.0
153.05473	9.7
153.09088	48.1
159.04427	3.2
163.03906	3.1
163.07521	9.9
163.11156	19.9
163.14827	17.6
164.07030	3.2
165.05475	3.4
165.12743	57.0
166.06290	4.7
167.07054	5.8
167.08490	3.0
167.10739	3.7
167.14349	6.5
168.07748	5.4
173.09497	3.0
173.13229	31.3
176.04599	3.0
177.05507	56.8
178.09891	11.3
179.07025	3.8
179.08525	5.0
181.08594	22.0
181.10043	4.6
191.03412	4.5
191.06984	8.2
191.10638	7.3
191.14294	99.4
192.06487	4.1
194.05768	5.4
194.09344	9.5
194.10899	2.9
209.04425	49.5
209.07974	24.2
209.09874	4.9
209.11624	20.5
209.13440	5.2
209.15332	91.9
210.15567	2.5
224.39304	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.39705	1.3
53.03939	3.0
55.01875	6.7
55.05515	8.7
56.17762	1.5
57.03426	2.3
57.07070	2.3
65.03947	4.2
67.05501	11.0
69.03434	10.8
69.07076	7.6
69.66549	10.1
71.04991	2.6
75.04475	2.9
77.02876	1.3
78.04694	4.1
79.05502	13.2
81.03413	3.2
81.07059	19.9
83.04977	4.8
83.08624	4.6
83.92937	1.3
85.02921	3.0
89.03925	2.2
91.05478	27.1
93.03420	6.7
93.07050	18.6
95.04977	20.0
95.08588	8.1
97.06526	5.7
99.04502	2.7
103.05477	7.1
105.03429	1.4
105.07029	16.3
106.04173	20.9
107.04966	5.1
107.08596	33.6
109.06522	18.7
109.10184	11.0
113.83485	1.3
115.05480	3.4
117.03353	2.2
117.07018	6.3
119.04984	3.3
119.06059	1.9
119.08588	5.7
121.06505	26.7
121.10144	21.6
122.07293	10.8
123.00792	1.6
123.08060	4.5
123.11716	1.5
125.05990	5.5
125.09616	2.3
129.06967	1.5
131.05017	3.3
131.08568	4.7
133.10133	100.0
134.03632	5.0
135.08070	25.5
135.11678	5.7
137.05994	3.8
137.09616	79.3
139.07500	3.1
145.02892	2.2
145.10101	7.6
147.11679	4.1
148.05185	3.4
149.05997	25.7
149.09593	6.4
149.13286	19.6
151.11226	6.8
153.05516	1.7
153.09106	5.8
158.11008	2.0
159.04379	2.2
163.03886	1.6
163.07629	1.9
163.11165	14.5
163.14883	2.5
165.12733	5.9
167.14366	1.8
173.09647	3.0
173.13200	6.9
177.05533	14.0
179.08575	2.0
181.08617	3.4
191.07011	2.0
191.10675	4.9
191.14279	8.7
209.04498	10.8
209.08112	5.9
209.11780	3.8
209.15321	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	209.1173
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
50.01263	1.8
53.03936	6.7
55.01871	16.1
55.05507	16.3
56.05035	3.7
56.96571	15.1
57.03432	7.5
57.07071	6.6
65.03930	7.5
67.05505	28.3
68.05010	2.8
68.99786	5.5
69.03426	16.8
69.07069	9.0
69.58402	8.3
69.58820	5.3
70.06590	3.8
71.04986	7.1
72.08170	11.0
72.93801	2.8
73.02926	5.7
76.78068	1.9
79.05493	41.6
80.05016	8.7
81.03422	9.9
81.07061	100.0
82.06582	17.1
83.04981	24.5
83.06090	3.0
83.08616	3.5
84.04472	4.5
84.08143	25.1
85.02905	13.3
85.06516	2.8
86.06081	4.7
86.09714	3.7
89.03925	2.7
91.05482	37.4
93.03386	3.8
93.07039	33.1
94.06577	4.8
95.04974	41.9
95.06114	2.7
95.08608	9.5
97.02887	9.4
97.06533	6.3
98.06049	2.0
98.21409	3.6
98.97585	4.4
99.04453	5.7
99.08070	2.2
103.05489	6.7
105.07034	26.0
106.04163	5.1
106.06570	2.1
107.04962	9.9
107.08585	26.9
109.02872	5.7
109.06529	17.8
109.07671	5.4
109.10173	8.1
110.42873	1.9
111.04455	19.6
111.05585	3.0
115.05469	3.6
116.98599	4.1
117.03336	2.1
117.07006	12.9
118.06552	3.0
119.04961	6.2
119.08575	13.4
120.08096	12.6
121.02834	2.3
121.06516	22.8
121.10120	14.6
122.07214	2.2
123.00796	2.7
123.04455	10.8
123.08087	10.9
123.09230	2.6
123.11686	2.2
125.05991	5.1
125.09637	6.7
126.09187	3.8
127.03886	4.8
128.03413	2.1
129.07031	2.3
129.10216	5.6
130.05014	15.3
130.07776	3.1
131.04912	3.5
131.08577	6.0
133.06482	4.2
133.10130	3.2
134.03610	2.9
134.07176	2.1
134.99701	2.8
135.04466	9.8
135.08069	10.0
135.09071	2.6
135.11707	6.7
136.07555	2.6
136.08630	2.2
137.06065	9.1
137.09662	2.4
138.06694	2.8
139.03920	3.8
141.05458	3.9
141.97235	2.1
143.00195	2.2
143.08615	2.1
145.02789	2.4
145.10107	10.7
146.06013	4.7
147.04454	12.0
147.08041	5.3
149.02356	3.8
149.05971	14.3
149.09619	22.2
150.05475	2.9
150.10147	2.0
151.05428	2.3
151.07574	2.9
151.11194	7.2
153.05490	4.1
153.09117	4.0
160.57014	2.0
161.01233	5.5
161.09624	3.2
163.03920	14.6
163.07555	6.3
163.11192	8.0
163.14861	2.7
164.05135	3.2
164.07048	5.1
166.07692	2.4
167.07034	5.5
167.10614	2.3
167.14319	5.4
173.09624	5.5
176.05099	2.7
177.05447	13.2
181.04948	4.5
187.02803	2.8
191.03392	2.1
191.07034	5.2
191.10664	45.8
191.12352	3.5
191.14345	6.9
192.06573	5.1
192.11172	2.0
194.13017	2.8
205.03873	3.2
209.04439	42.6
209.09697	5.4
209.11710	47.6
209.15323	49.5
209.18616	2.5
210.07620	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	209.092
Annotation	Kynurenine
Peak:m/z	Relative Intensity
50.06115	1.2
53.03946	1.9
55.01863	4.7
55.05502	3.1
55.93538	1.2
56.05033	3.0
56.96557	5.6
57.07063	3.6
59.04978	1.3
65.03931	3.1
67.04235	1.5
67.05490	6.3
68.19477	1.1
68.31017	1.1
69.03425	3.7
69.07059	5.4
69.63149	8.9
70.06577	4.9
71.01353	1.3
72.08138	3.0
73.02952	1.1
74.02431	21.9
79.05473	6.5
80.05003	11.0
81.03426	7.3
81.07051	3.7
82.02928	1.3
82.06575	13.9
82.94840	1.8
83.04981	3.8
83.06121	2.1
83.08604	2.1
84.04502	3.4
84.08137	42.7
85.02885	2.0
85.06544	2.8
86.09692	3.2
88.03990	3.3
89.03933	2.5
91.05466	12.9
92.05005	2.3
93.07037	5.0
94.06557	100.0
95.04970	5.5
95.06085	1.7
95.08584	3.8
96.08118	2.0
97.02865	2.3
97.06535	3.5
98.06037	1.9
98.97546	1.5
99.00812	12.3
99.08095	1.9
103.05470	4.0
104.04977	8.6
105.07034	3.2
106.06556	2.1
107.04954	3.7
107.08598	5.4
108.08099	2.4
108.95914	1.2
109.02828	1.5
109.06521	5.2
109.07650	2.7
109.10139	1.8
110.06007	3.1
110.07190	3.5
111.04473	3.3
117.03391	3.3
117.05794	2.1
117.07005	2.4
118.06532	42.2
119.04955	3.0
119.06155	1.1
119.08569	1.9
120.04459	32.7
120.05300	1.6
120.08112	9.5
121.06503	4.1
121.07503	1.4
121.10136	4.9
122.05997	2.3
123.00812	1.9
123.04430	1.8
123.08022	2.1
123.11716	1.9
124.03890	1.3
125.05964	1.4
125.09623	3.6
129.06958	1.4
130.04976	3.7
130.06544	1.2
130.08603	6.4
131.04945	1.8
131.08600	2.0
132.04439	13.1
132.07970	1.2
133.10081	1.9
134.03638	1.9
134.09618	1.8
135.04398	6.3
135.08093	2.4
135.09169	2.2
135.11774	1.5
136.07561	37.2
136.08513	1.7
136.11183	2.2
137.06058	1.6
137.09615	1.8
145.02721	1.4
145.06540	1.2
145.07555	1.9
145.10104	1.5
146.05989	89.0
146.09653	4.5
147.04382	3.7
148.07634	1.3
148.11192	9.7
149.05981	5.3
149.09627	5.4
150.05484	24.9
151.11171	3.6
161.01201	2.5
162.95772	1.5
163.03905	9.4
163.07385	1.7
163.08501	14.2
164.07025	9.4
164.10680	2.2
167.06972	1.6
174.05487	29.8
177.05435	6.6
181.04964	1.8
181.09860	1.3
191.08263	2.9
191.14316	2.1
192.06523	42.2
209.04370	18.3
209.06128	2.6
209.09540	8.8
209.13260	1.6
209.15355	28.8
209.18506	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0807
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03939	4.7
55.01870	17.2
55.11110	1.4
56.96539	1.7
65.03937	14.8
67.05506	5.5
69.03428	2.8
69.07082	1.6
71.04885	3.3
73.41336	1.3
75.04478	8.6
78.04709	11.6
79.05487	10.6
81.03421	2.3
81.07059	5.5
83.04939	1.9
85.02904	6.8
89.03904	9.3
89.06042	2.5
91.05476	50.5
93.03399	26.2
93.07049	21.8
94.04206	1.9
95.04966	27.3
95.08604	3.4
97.06522	10.9
103.05449	24.4
105.03382	3.5
105.04529	2.9
105.07066	3.7
106.04166	74.4
107.04991	8.4
107.08590	5.0
108.05766	2.4
109.06521	6.9
109.10133	2.3
111.04459	2.6
111.08098	2.2
117.03342	7.7
117.06984	2.0
118.04160	2.7
119.04918	7.6
119.08532	2.6
121.06496	74.6
121.10162	4.1
122.07309	2.2
123.04410	6.0
123.08008	2.6
123.11810	1.5
124.05225	2.7
125.05983	19.4
125.09638	2.0
131.04907	14.1
131.08601	2.0
133.02831	2.0
133.10107	2.9
134.03619	18.4
135.04410	5.7
135.08060	3.0
137.05972	11.3
138.06744	4.6
139.07518	5.8
145.02835	9.4
145.10071	2.0
147.04422	2.6
148.05180	12.4
149.05975	100.0
149.09564	2.6
149.13220	2.7
150.06238	2.0
151.07625	2.3
153.05464	6.4
153.09074	16.0
159.04446	11.2
163.03963	3.6
163.07521	6.9
163.11191	1.7
163.14789	1.5
165.12741	2.6
166.06293	3.3
167.03264	1.7
167.06998	2.7
167.14372	1.5
176.04750	2.8
176.58275	1.5
177.05461	70.9
178.05841	1.4
181.08609	18.3
181.10054	2.7
191.07057	5.3
191.14279	3.7
209.04356	9.0
209.08078	26.8
209.13313	4.0
209.15399	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	209.0807
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.73198	1.2
53.03924	4.0
55.01866	72.1
55.05505	1.4
56.96564	1.9
57.03423	3.1
65.03925	3.5
67.05482	2.4
68.41035	1.0
69.03448	1.0
69.07043	1.4
70.94814	1.8
70.95142	1.6
77.03896	1.3
78.04694	2.2
79.05481	6.6
81.03414	1.7
81.07036	4.3
82.06563	2.2
85.02879	1.2
89.03912	12.7
91.05470	28.1
92.06274	1.3
93.03386	2.6
93.06548	1.5
93.07038	17.3
95.04956	9.6
95.08572	2.6
97.06504	1.5
103.05458	38.5
105.03409	1.7
105.07012	2.2
106.04174	8.0
107.04936	11.4
107.08568	1.2
109.06495	3.2
110.03644	1.8
111.04442	2.7
117.03371	16.7
117.95968	2.0
118.04131	3.7
119.04932	11.1
120.05693	4.3
120.08149	1.4
121.06496	43.9
121.10103	2.2
123.04401	2.4
125.05963	4.3
130.04112	1.3
131.04926	28.5
133.02835	3.2
134.03616	12.9
135.04439	5.7
135.07996	1.1
135.96947	1.1
137.05972	1.5
138.03102	4.1
139.03786	1.7
145.01736	2.1
145.02827	29.1
147.04381	11.9
148.05186	15.3
149.05969	61.5
149.09637	1.2
151.03876	2.7
153.05437	12.6
153.09045	2.8
159.04361	7.9
159.05545	2.3
162.03091	2.5
163.03902	7.4
163.07538	11.4
164.04662	1.6
165.05432	2.2
166.06248	5.9
167.03328	1.3
173.94424	1.3
176.04671	10.2
177.05453	100.0
178.06009	1.9
179.71947	1.1
181.04984	2.4
181.08578	10.8
191.07001	31.8
191.14322	1.1
193.04926	4.2
194.05693	4.7
208.38528	1.0
209.04440	3.0
209.08037	50.9
209.13373	1.6
209.15260	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	209.0808
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02372	2.7
53.03946	8.2
55.01869	16.4
55.05510	22.5
56.96556	2.4
57.03423	3.6
57.07051	3.6
57.85283	0.9
59.04991	2.4
64.71425	1.1
65.03622	0.8
65.03938	14.7
67.05495	11.5
68.99775	3.4
69.03426	6.3
69.06771	0.9
69.07070	10.3
69.72523	4.7
69.72934	2.2
71.04990	5.4
75.04473	13.2
77.03913	1.7
78.04701	13.5
79.05486	14.8
81.03414	14.6
81.07047	15.9
82.04171	1.3
82.06566	1.7
83.01327	4.9
83.04977	20.0
83.08608	11.5
85.02912	9.3
85.06555	2.2
89.03915	6.7
89.06007	2.4
91.05476	55.7
92.06306	1.0
93.03405	28.2
93.07039	29.9
93.07622	1.7
95.04962	42.5
95.08598	11.2
97.02877	1.4
97.06536	18.3
97.10173	2.8
98.97572	1.9
99.04459	4.2
99.08086	7.2
103.05460	22.6
105.03387	4.1
105.04491	3.0
105.07021	7.7
106.04166	81.3
107.04967	8.8
107.08590	22.2
108.05717	2.2
109.02857	2.1
109.05775	2.2
109.06509	34.1
109.10141	8.3
111.04435	5.1
111.08063	6.8
117.03377	6.2
117.07018	1.0
118.04153	2.5
119.04953	5.3
119.08571	4.4
120.05673	1.2
120.08099	1.1
121.02798	1.1
121.06498	85.7
121.10135	15.3
122.03683	1.7
122.07265	1.4
123.00773	4.5
123.04420	4.1
123.08057	7.5
123.11695	1.8
124.05206	3.5
125.05988	23.3
125.09618	10.2
131.04932	8.5
131.05849	1.5
131.08533	5.6
133.02840	1.4
133.06497	2.4
133.10103	9.6
134.03613	14.7
135.04419	7.1
135.08051	8.7
135.11664	3.3
137.05969	13.2
137.09592	4.5
138.06743	4.3
139.07547	11.3
139.11174	1.9
141.01791	1.0
145.02849	4.4
145.10135	3.5
147.04408	2.4
147.11688	3.2
148.05176	10.4
149.05975	100.0
149.09604	21.7
149.13257	8.4
151.03914	2.2
151.07555	4.7
151.11176	11.4
152.08284	2.2
153.05473	7.2
153.09102	31.0
158.10887	1.5
159.04387	3.7
162.03104	1.6
163.03893	8.3
163.07542	7.1
163.11157	3.1
163.14790	5.4
165.05501	2.3
165.12813	1.7
166.06261	3.4
167.07043	4.2
167.14351	5.7
173.13248	5.0
176.04663	2.5
177.05467	43.4
180.07793	1.1
181.04950	1.4
181.08572	22.8
181.15894	1.6
191.03372	2.9
191.06947	8.3
191.10722	2.5
191.14311	15.7
194.05855	1.5
209.04445	54.1
209.07999	21.8
209.09914	1.4
209.11456	2.1
209.15359	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	209.0808
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
50.28115	1.2
53.00296	1.1
53.03922	4.2
55.01870	72.6
55.05490	3.2
56.96543	2.0
57.03404	2.5
57.07063	1.9
65.03936	5.8
66.56036	1.1
67.05481	2.3
69.03420	1.2
69.04641	0.9
69.07067	2.3
70.73086	2.4
70.73454	2.2
73.52795	1.1
73.94173	1.2
75.04471	1.7
77.03915	1.8
78.04679	3.9
79.05492	8.2
81.03370	2.2
81.07030	3.8
82.04187	1.0
82.06574	2.5
83.04958	2.1
83.08591	1.7
85.02863	2.1
89.03909	11.7
91.05474	37.9
92.06281	1.2
93.03365	4.3
93.06570	1.3
93.07047	16.2
95.04976	12.5
95.08557	3.6
97.06503	4.0
100.82857	1.1
102.05486	1.6
103.04806	2.1
103.05460	35.6
105.03335	2.3
105.04465	1.3
105.06973	3.3
106.04163	13.9
107.04948	10.8
107.08558	4.9
109.06469	5.1
109.10120	3.0
110.03599	1.6
110.06022	1.2
111.04421	4.8
111.08045	1.8
117.03371	15.8
117.06982	2.2
117.95963	2.3
118.04158	6.0
118.96722	1.4
119.04935	11.3
120.05670	5.0
120.08092	1.1
121.06496	52.5
121.10114	2.2
123.04390	3.0
123.07969	1.9
124.05176	1.7
125.05965	7.1
125.09600	2.5
125.10950	1.1
130.04121	3.1
131.04050	1.7
131.04929	26.7
131.08527	1.7
133.02789	2.4
133.06451	1.2
134.03638	14.5
135.04408	9.5
135.08009	1.8
135.11581	2.0
137.05917	2.8
138.03052	4.9
138.06728	1.8
139.03865	1.3
145.02837	28.3
146.03624	2.0
147.04413	13.8
148.05165	12.9
149.05969	61.7
149.09546	3.0
151.03845	3.8
153.05443	11.4
153.09048	3.1
159.04349	8.6
159.05519	1.8
162.03094	1.8
163.03918	6.8
163.07527	12.0
164.04645	2.7
165.05434	3.3
165.06883	1.6
166.06184	6.5
166.07607	1.9
167.06996	1.3
173.05942	1.3
173.13138	1.3
176.04692	8.2
177.05461	100.0
178.06017	1.5
179.08472	1.5
181.04889	2.9
181.08612	9.1
185.97379	1.4
191.07008	35.4
191.14204	2.5
193.04968	2.8
194.05673	5.0
205.54440	1.1
209.04634	5.8
209.08009	50.3
209.13423	2.3
209.15315	15.5
217.90952	1.1
219.78258	1.0
227.57234	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03939	2.3
55.01855	2.8
55.05497	8.5
57.07072	3.4
59.05001	4.7
59.68718	2.1
62.48799	2.3
65.03935	8.0
67.05481	9.8
69.03439	10.8
69.07030	4.8
71.04684	4.2
71.05024	3.0
72.91311	2.1
79.05491	15.9
79.34392	2.3
81.04156	2.2
81.07043	20.6
83.04971	6.7
84.42342	2.1
84.77052	2.2
85.02902	25.5
85.06512	6.3
86.29163	2.2
89.03902	3.9
91.05475	81.9
93.07043	16.6
95.04958	6.4
95.08590	15.5
103.05467	5.1
105.07024	70.3
107.04967	12.8
107.08597	21.7
109.06510	32.9
109.10123	6.0
115.05461	5.0
116.06216	2.5
117.06997	11.4
118.04138	9.5
119.04945	51.0
119.08579	75.9
121.06522	6.2
121.10139	31.2
123.08078	27.2
123.11696	13.1
125.39845	2.1
128.06241	6.8
129.06976	10.4
130.07751	5.2
131.08566	24.7
132.02031	5.0
132.41492	2.0
133.06485	4.9
133.10106	10.2
135.04399	4.0
135.08058	3.4
136.05185	5.9
137.09622	4.1
141.06967	4.3
142.07666	2.2
143.08545	14.9
145.06538	2.1
145.10127	25.4
146.03601	8.8
146.10904	8.4
147.04404	51.6
147.08047	24.2
147.11676	82.5
148.12070	2.7
149.02327	10.0
149.09587	20.3
151.07486	13.0
156.09343	30.3
157.03946	3.2
159.08080	7.9
160.08846	4.5
161.09584	5.7
161.13208	10.8
163.11177	18.6
164.04697	5.8
165.12759	7.1
170.48091	2.5
171.11639	12.9
173.09546	2.8
174.03079	7.5
174.10426	19.4
175.03906	43.1
179.07069	8.0
189.12730	71.8
192.04164	17.5
207.06487	33.6
207.13799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.9
55.01862	8.3
55.05502	11.8
56.05025	19.8
56.96566	31.7
57.03424	5.3
58.02950	8.4
58.06593	16.8
59.06104	4.7
60.04525	21.4
61.02916	4.7
67.05496	9.3
68.05011	14.6
69.03428	12.6
70.06589	40.0
70.21834	10.2
70.22225	10.0
71.04990	4.3
72.04508	17.8
72.08176	5.7
73.05286	17.9
74.06071	16.5
75.40421	4.6
79.05485	11.6
80.05023	10.9
81.03405	18.0
81.07036	10.1
82.02903	4.8
82.06566	17.0
83.04984	8.6
84.04028	8.1
84.04498	100.0
84.08116	11.5
85.02897	11.4
86.06065	73.3
88.04000	7.4
88.78831	4.4
91.05473	8.4
92.05832	6.2
93.06998	5.2
94.06548	12.5
95.04963	9.1
95.08574	4.6
96.04480	20.1
96.08125	4.4
97.02869	8.8
97.05275	4.3
98.06063	50.5
98.97589	6.9
99.04436	6.7
100.03971	12.3
100.07600	6.7
101.04754	5.2
102.05547	13.4
103.05486	6.8
105.07024	5.1
106.06557	6.3
107.04948	7.9
108.04533	5.8
109.02859	5.5
109.07610	7.9
109.36060	4.3
110.06017	17.0
111.04433	13.1
111.09190	4.8
112.03962	9.6
114.05549	21.7
116.07090	24.3
120.08120	12.0
121.02867	6.7
121.06528	10.9
121.07632	5.4
124.03938	9.1
124.07561	5.1
126.05508	16.2
128.07079	7.7
130.05000	4.3
131.04979	5.6
134.06020	10.7
134.09627	4.6
134.99651	10.7
135.04372	8.4
138.05530	12.4
144.06564	32.6
149.05972	5.2
150.10187	5.6
151.03952	5.7
156.06575	6.9
160.06018	5.4
162.05481	8.7
162.07588	10.9
162.09085	12.7
163.03914	14.1
172.06030	12.9
174.07639	9.2
180.06558	7.9
180.10172	5.0
181.14594	4.8
185.01207	8.1
190.07050	16.5
190.08569	9.1
190.13162	5.4
208.06105	11.4
208.08041	12.6
208.09663	10.1
208.13803	4.5
209.04491	12.8
209.08023	4.9
221.03258	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	209.0442
Annotation	Pisonin C
Peak:m/z	Relative Intensity
51.02372	0.1
53.03934	0.2
55.01871	0.7
55.05492	0.6
55.93533	0.1
56.96545	0.5
62.01978	0.1
65.03925	0.4
67.01859	0.2
67.05509	0.7
68.99781	0.5
69.03414	0.4
69.07048	0.2
71.04980	0.3
71.06710	0.2
71.07049	0.2
79.01826	0.1
79.05476	0.8
81.07041	0.4
82.06570	0.3
83.04977	0.7
83.06059	0.1
83.08595	0.2
84.08163	0.2
85.02885	0.2
86.09693	0.2
91.05479	1.3
92.88666	0.1
93.03403	0.2
93.07043	1.1
95.01319	1.5
95.04951	1.2
95.08607	0.3
97.06499	0.5
98.97551	0.2
103.05468	0.4
105.07017	0.4
106.04142	0.4
107.04965	0.7
107.08595	0.8
109.06498	0.4
109.10151	0.3
111.04412	0.3
116.98566	0.2
117.06958	0.1
119.04944	1.0
120.08096	0.1
121.06500	1.1
121.10119	0.7
123.00782	14.5
123.08044	0.2
124.01096	0.2
124.99083	0.2
125.06004	0.2
125.09585	0.4
131.08586	0.8
133.10162	0.2
133.36632	0.1
135.04399	1.5
135.08025	0.3
135.11598	0.2
136.07547	0.2
137.05948	0.2
139.03912	0.2
141.01819	2.9
143.00131	0.5
145.02818	0.2
145.10129	0.4
147.04398	2.1
147.08081	0.1
148.05185	0.1
149.02336	0.1
149.05986	1.0
149.09608	1.1
149.13225	0.2
151.00233	0.2
151.11182	0.4
152.57634	0.1
153.05466	0.4
153.09065	0.3
161.01192	0.8
163.03903	4.5
163.07509	0.2
163.11172	0.4
163.42619	0.1
167.07021	0.3
167.14352	0.3
169.01306	0.6
171.06459	0.2
173.09731	0.1
177.00679	0.1
177.05603	0.7
181.04990	0.9
185.01123	0.4
191.03392	7.9
191.06981	0.2
191.10625	0.4
191.14323	0.2
192.03926	0.2
194.05722	0.2
200.87128	0.1
203.02188	0.2
208.03752	0.2
209.04433	100.0
209.15297	1.2
210.04758	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0449
Annotation	6-Hydroxykynurenic acid
Peak:m/z	Relative Intensity
56.05044	0.5
56.96565	1.3
57.03415	0.2
57.07051	0.3
58.06586	0.2
60.04532	1.3
62.04961	0.3
65.03949	0.3
67.05517	0.2
68.05045	0.3
69.03431	0.3
69.07076	0.2
70.06608	0.2
70.71743	0.7
71.04984	0.2
71.36264	0.2
72.08126	0.2
73.02906	0.3
74.06079	0.3
80.05020	0.2
81.03423	0.8
82.06569	0.4
83.06115	0.4
83.81039	0.2
84.04499	0.3
84.08153	0.6
84.70294	0.2
85.02934	0.4
86.06056	0.3
87.02683	0.3
88.02218	0.2
91.05485	0.5
94.06600	0.2
94.07367	0.2
95.04925	0.3
95.06101	0.2
95.82739	0.2
96.04487	0.3
97.02886	0.6
98.06042	0.2
98.97603	0.3
104.05003	0.5
105.03365	1.1
105.07058	0.2
107.04892	0.2
108.68510	0.2
109.02923	0.2
109.07660	0.4
110.07178	0.4
114.05511	0.2
116.98619	0.3
117.03726	0.8
119.04917	0.2
122.06036	0.2
124.07648	0.2
127.03998	0.2
132.04431	1.8
132.08083	0.5
133.02831	0.4
134.99677	0.4
135.04425	0.3
146.05988	0.3
147.04395	0.3
147.05518	0.2
148.08693	0.2
149.02336	0.3
150.02681	0.4
150.05499	3.4
151.03905	0.4
153.01813	0.2
160.03896	0.3
160.07542	0.4
160.09584	0.5
161.01215	0.4
162.10222	0.2
163.03914	0.8
177.07872	0.3
178.04985	100.0
179.05394	1.0
188.07109	0.5
189.11288	0.3
191.14307	0.7
201.00713	1.2
206.04475	34.2
206.08119	1.2
206.11658	1.1
206.19061	0.3
207.04810	0.6
219.01709	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05494	7.9
65.03925	2.7
67.05496	31.8
69.03423	6.9
69.07055	5.3
70.95492	6.6
79.05480	7.3
81.07047	11.6
83.04958	4.4
85.02895	13.4
85.06525	10.8
91.05486	12.9
93.07063	15.3
95.04948	6.7
95.08600	100.0
105.07027	22.8
107.08585	25.6
109.06491	7.3
109.10135	7.0
113.05971	4.4
119.04977	4.0
119.08585	41.9
121.06513	4.3
121.10135	22.4
123.08051	77.6
123.11681	16.0
131.08539	7.6
133.10124	7.3
135.08018	3.8
137.09599	4.1
145.10112	6.0
147.04491	5.3
147.08015	7.8
147.11652	19.9
149.09612	71.9
151.07552	4.0
151.14795	4.7
156.09340	7.3
161.09564	3.2
161.13251	25.8
163.51149	2.6
165.09058	2.9
165.12764	14.0
171.11676	4.9
174.10367	6.5
175.03925	5.7
189.12712	32.4
189.20358	2.9
207.06627	4.0
207.13797	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	205.1224
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03939	1.0
55.01863	0.8
55.05509	1.6
56.96560	0.8
57.03436	0.9
57.07068	1.3
60.04522	2.7
61.04858	0.9
65.03938	1.0
67.05510	2.4
69.03431	4.4
69.07057	1.4
71.04990	3.1
71.59840	0.5
72.15166	0.4
73.02892	0.4
79.05491	5.2
81.03405	1.6
81.07048	6.8
83.04964	1.2
85.02899	2.1
91.05473	8.6
93.03384	0.4
93.07043	7.0
95.04970	2.6
95.08615	1.9
97.02879	2.4
97.06526	3.4
98.97574	0.9
99.04462	2.0
103.05466	2.3
105.07027	24.4
107.04957	1.1
107.08586	7.2
109.02874	0.8
109.06511	17.8
111.04450	1.1
115.05428	3.3
116.06261	0.5
116.98611	0.9
117.07016	13.5
118.75146	0.4
119.08570	7.6
120.08120	2.1
121.02881	1.0
121.06495	5.8
121.10146	2.3
123.08081	0.8
126.05442	0.5
127.03890	0.4
127.05923	0.4
128.06221	1.8
129.06970	5.6
130.07794	9.3
131.04926	1.1
131.08565	14.2
133.10152	1.5
134.99701	0.5
135.08057	3.0
135.11684	1.8
137.05939	0.6
141.06993	1.1
142.07787	0.6
143.08554	5.7
144.05763	0.5
144.09338	5.8
145.06468	4.0
145.10114	100.0
146.05962	0.4
146.10631	1.0
147.08057	1.5
147.11711	0.5
149.02335	8.5
149.05969	1.7
149.09604	1.1
149.13266	0.8
154.07692	0.9
155.06087	0.6
157.06488	0.6
157.10149	1.7
158.07253	0.5
159.08098	2.1
159.11682	33.5
161.05934	0.7
161.09619	1.3
161.13261	1.1
162.10379	1.2
163.07561	2.0
163.11163	5.1
169.10115	3.5
172.08815	1.4
173.05956	0.9
175.11171	0.9
177.00690	0.6
177.05470	0.6
177.09126	0.5
177.12715	5.8
187.03920	0.6
187.07570	0.8
187.11169	13.2
187.14825	1.2
188.06934	0.6
190.09868	0.6
205.04880	1.3
205.08717	2.4
205.12231	34.3
205.13896	1.3
205.15964	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.195
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03936	0.7
53.12165	0.4
55.05509	2.9
56.96555	0.8
57.07069	10.3
58.07399	0.8
59.99104	0.6
60.04501	0.6
62.05816	0.4
63.80590	0.4
65.03938	6.0
65.05074	0.3
66.92978	0.4
67.05499	3.1
69.03407	0.7
69.07067	5.2
71.60498	0.5
72.93790	1.2
79.05487	4.0
81.03425	1.4
81.07053	14.0
83.08619	2.3
84.04502	0.6
85.02904	1.5
90.94815	0.5
91.05478	2.2
93.03397	2.0
93.07037	14.2
94.07386	0.4
95.04968	0.8
95.08599	8.7
97.02898	2.6
97.10172	1.2
104.05087	0.4
105.07001	2.3
107.08585	11.5
108.08883	0.4
109.02880	1.1
109.10143	6.8
111.04456	2.2
111.10880	0.4
111.11693	0.5
113.96387	2.4
117.05611	0.5
117.06990	0.6
119.08565	0.6
121.02863	12.7
121.03943	1.9
121.06500	2.2
121.10135	25.3
122.03214	0.5
122.10479	0.5
123.11707	4.1
127.05812	1.0
131.97423	3.1
135.08070	0.9
135.11674	6.1
145.10072	0.6
149.02332	100.0
149.13242	13.3
150.02652	3.8
154.99017	1.1
159.11621	0.7
162.10455	0.7
163.11198	1.1
163.14827	1.1
167.03368	3.2
177.12727	2.2
190.04997	2.1
191.14328	3.8
205.08926	0.7
205.12231	2.8
205.14345	1.8
205.19507	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	205.0972
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
55.01859	0.4
56.96553	1.3
57.03441	0.6
57.07069	0.7
58.06588	0.6
60.04522	5.2
61.04864	2.1
65.03937	0.9
68.05035	0.5
69.03415	0.9
70.02932	0.5
70.06591	0.6
70.85010	1.0
72.08136	0.5
73.02897	0.6
74.02428	0.6
78.95251	0.7
79.65286	0.5
81.03401	1.1
84.04485	0.8
84.08149	0.4
85.02905	1.5
86.52468	0.3
88.03984	1.6
91.05466	1.8
93.07043	0.9
95.04980	0.7
96.04483	1.1
97.02878	1.2
97.04852	0.5
98.97527	0.7
99.05508	0.4
100.03975	0.5
100.73055	0.4
102.05524	0.4
103.05440	0.6
105.07047	4.0
107.08541	0.4
109.02880	0.6
114.05525	2.0
115.05437	7.8
117.05761	4.4
117.06982	0.8
118.06538	2.4
119.07326	14.7
119.97903	0.7
120.08088	0.6
121.02852	1.0
121.06486	1.6
122.94225	0.7
124.03943	0.5
127.03962	0.5
130.06540	1.2
132.08087	30.6
135.08035	0.6
141.06581	0.8
142.05023	1.5
142.06516	8.8
143.07265	0.4
145.10011	0.4
146.04471	1.2
146.05986	0.8
149.02330	5.5
149.05908	0.4
149.13348	0.4
159.09175	100.0
160.06392	0.4
160.07547	1.8
160.09492	1.4
162.10353	0.5
163.11142	0.7
163.96886	0.6
164.07077	0.7
177.12761	1.6
178.04999	5.5
181.97878	1.2
188.05547	0.7
188.07076	0.6
205.09706	7.0
205.12241	2.4
206.04445	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03957	0.9
55.05510	7.7
57.07067	1.5
60.04517	4.6
67.05505	19.9
69.07068	7.5
70.77415	2.5
70.77770	1.1
79.05490	9.7
81.07058	43.1
83.08607	3.0
84.04510	1.6
90.35564	1.0
91.05482	14.2
93.07047	24.0
95.04889	1.2
95.08609	69.2
97.10146	1.6
100.58871	1.0
105.07033	44.3
107.08597	38.1
109.06531	1.8
109.10158	45.6
111.83960	1.0
111.84868	1.0
117.07021	0.9
119.08586	38.6
121.10146	16.5
123.11701	7.3
126.05499	2.7
129.07021	1.5
131.08540	2.0
133.10126	26.3
135.11682	5.1
145.10127	3.9
147.11685	53.1
157.10083	1.1
159.11661	2.6
161.13266	19.1
175.07423	1.3
175.14838	11.5
185.29732	0.9
203.07022	1.8
203.17958	100.0
204.18378	2.4
211.80353	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21131	0.3
52.97949	0.3
53.03946	3.1
55.01873	0.5
55.05510	3.2
55.83741	0.3
56.05036	0.7
56.96561	0.6
57.03438	1.2
58.99586	5.0
60.04524	46.5
61.02917	0.6
61.04837	0.3
68.05026	4.6
69.03430	1.7
69.07057	0.4
71.04999	0.7
71.16873	0.5
71.17202	0.4
72.04520	1.0
73.02901	0.6
76.02238	0.3
76.10619	0.3
78.95269	0.5
79.05492	0.7
80.05010	0.4
81.03413	3.2
82.06604	0.5
83.01350	0.6
83.04977	3.8
84.04502	5.0
84.08133	1.0
84.10172	0.3
85.01131	3.2
85.02902	5.0
86.06084	0.3
86.09721	0.4
87.02689	5.4
88.02202	0.3
88.04008	0.4
93.05788	0.4
94.06585	1.7
96.04493	8.3
97.01126	2.2
97.02888	7.6
98.06045	1.4
99.04463	1.7
99.05569	0.4
100.04031	0.5
100.71931	0.3
101.02374	0.3
102.03773	1.1
102.05508	0.9
106.06571	0.5
108.04482	0.5
109.02844	0.6
110.06045	2.6
113.04215	1.7
114.05524	7.3
115.02149	100.0
116.02485	0.7
117.05521	0.7
119.97917	0.7
123.02636	0.3
126.05515	7.3
127.03921	0.8
129.10197	0.3
130.04965	0.3
130.08710	0.4
138.05522	1.8
140.05252	2.7
141.03702	0.4
144.06508	1.1
145.05022	1.4
145.06059	0.4
149.02310	0.7
156.06554	1.4
158.04625	0.4
158.06271	1.0
158.96326	0.4
168.06560	2.7
181.97916	0.9
186.05797	3.3
186.07581	1.5
187.04233	2.3
204.06651	1.1
204.08624	8.8
204.13849	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.05493	1.6
56.05019	2.7
56.96560	2.2
57.07074	81.4
58.02942	1.7
59.99108	33.0
60.04523	22.0
61.02912	1.2
63.74197	0.9
65.03930	6.2
67.05489	1.2
68.05019	6.3
69.03416	2.3
69.07055	1.6
72.93793	1.4
74.69072	0.9
74.99062	3.1
81.03391	2.4
81.07038	4.5
83.08573	1.1
84.04500	21.7
85.02898	6.1
87.76674	1.0
88.11269	10.9
89.42640	1.0
91.05544	1.0
92.01673	6.8
92.07801	0.9
93.07037	3.5
95.08593	2.6
96.04491	10.3
97.02895	13.2
97.05325	1.2
98.06046	3.3
99.01104	1.6
99.04433	2.8
107.08596	2.7
108.01663	1.6
109.02837	1.0
109.10131	1.5
110.06051	2.1
110.51917	2.5
111.04444	1.3
113.96369	1.2
114.05531	12.4
116.05309	57.9
116.36475	1.2
119.52429	2.7
119.82951	1.0
121.02860	12.4
121.03761	1.4
121.06451	1.6
121.10114	4.7
122.02724	1.5
122.06036	1.2
126.05508	22.5
127.03903	1.9
127.52204	1.6
127.86976	0.9
131.97417	3.3
135.11607	1.3
138.05476	2.2
140.05009	1.1
144.06523	3.2
144.17490	4.9
145.04951	1.9
148.07899	63.8
149.02333	97.2
149.13251	2.7
151.55803	3.3
152.05821	1.2
153.13245	1.2
154.99139	1.0
156.06575	1.3
167.03380	2.8
168.06636	2.5
172.01498	1.9
172.11539	12.3
177.12715	1.4
186.07550	2.7
188.10620	1.6
189.11462	4.2
192.59874	1.2
193.09772	1.5
204.06549	2.1
204.08655	12.8
204.14127	100.0
205.12262	1.8
205.14223	1.0
205.19522	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03940	1.5
55.05513	10.9
56.96552	1.4
60.04523	23.2
63.21022	1.7
67.05499	27.4
68.04994	2.6
68.99786	2.7
69.07057	18.2
69.61629	2.5
69.62040	7.5
71.39515	1.3
72.81465	1.6
73.45816	1.3
79.05479	10.6
81.07050	46.3
83.04959	1.6
83.08611	6.2
84.04520	6.6
85.02897	1.9
91.05467	21.0
93.07040	20.1
95.04947	2.5
95.08601	71.0
96.04477	5.5
96.08949	1.5
97.02876	3.2
97.10160	2.0
98.20730	1.8
103.05447	1.4
105.01844	1.7
105.07023	64.3
106.07338	1.5
107.08582	33.3
108.75802	1.2
109.10148	67.6
114.05502	3.3
115.05435	2.3
117.06992	4.2
118.03651	1.6
119.08572	63.1
121.10137	21.9
123.11706	11.3
125.91895	1.5
126.05538	7.7
129.01854	1.8
129.06989	2.8
131.08559	3.6
133.04984	3.5
133.10124	39.5
135.11667	8.3
142.07767	1.9
143.08472	1.9
144.06551	2.5
145.10106	7.2
147.08064	2.7
147.11676	76.1
148.12265	1.6
157.04961	1.8
157.10106	2.2
159.11658	4.4
160.05164	2.3
160.12367	3.0
161.09546	3.8
161.13251	26.0
169.06612	1.3
175.07574	2.0
175.11191	1.9
175.14815	10.1
185.09605	2.2
203.06973	6.0
203.10703	5.3
203.14316	6.2
203.17949	100.0
204.08730	4.0
204.13881	3.5
204.18327	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	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03935	1.3
53.65578	1.1
55.05513	11.0
56.96568	2.0
60.04252	1.6
60.04525	19.9
62.79479	1.2
67.05170	2.1
67.05503	28.1
68.05035	2.2
69.07069	15.6
70.78029	4.3
76.68211	1.2
77.42192	1.1
79.05072	1.3
79.05482	9.2
81.03413	1.4
81.07055	46.8
83.08625	5.0
84.04482	6.7
85.02898	2.9
91.05477	15.9
93.07041	19.9
95.04951	2.4
95.08604	74.2
96.04479	4.3
97.02880	4.8
97.10141	1.3
105.07027	60.2
107.08597	35.5
107.97188	1.4
109.10154	59.3
114.05515	5.0
115.05452	3.6
117.06940	2.6
119.08574	54.2
121.10143	19.5
123.11707	10.8
126.05521	7.4
128.06206	1.7
129.06967	3.0
131.08545	4.3
132.09325	1.3
133.04930	1.9
133.10126	44.2
134.10565	1.2
135.11693	7.3
140.79424	1.2
142.07762	2.1
143.08546	1.7
144.06573	1.6
145.06474	1.6
145.10124	6.8
147.04358	1.7
147.07980	1.7
147.11687	69.8
157.04953	1.4
157.10109	3.5
159.11667	3.7
160.05228	2.7
160.12439	2.7
161.09593	3.7
161.13258	22.6
168.06561	1.5
175.07565	3.9
175.14865	10.2
185.09601	2.0
188.04729	1.7
188.10600	1.5
203.06906	6.5
203.10597	6.3
203.14371	7.8
203.17949	100.0
204.08673	6.5
204.13911	3.7
204.18219	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	203.1794
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
55.05504	5.8
60.04528	1.9
66.35072	1.1
67.05501	18.3
69.07059	7.2
69.30012	8.6
69.30432	3.5
79.05490	7.0
81.07054	43.1
83.08607	3.6
91.05482	11.9
93.07047	18.5
95.08603	65.4
105.07023	40.1
107.08589	37.4
108.08865	1.3
109.10149	35.6
118.88417	1.1
119.08576	31.8
121.10141	15.3
123.11705	8.3
126.05475	1.5
131.08510	2.0
133.10124	28.4
135.11678	4.2
145.10118	3.3
146.91414	1.3
147.11678	49.8
159.11700	3.9
161.13254	19.2
175.14807	9.4
196.55821	1.2
199.29660	1.1
203.17943	100.0
204.18259	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1391
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
55.01857	0.9
55.05499	1.9
56.05027	1.5
56.96569	1.7
57.03428	1.2
60.04524	60.7
61.02916	1.2
65.88306	0.6
68.05038	4.8
69.03452	1.2
69.07072	1.0
69.99897	3.9
70.06586	1.7
71.04984	0.7
72.04525	0.8
72.08145	1.1
73.02903	0.9
74.06075	1.2
81.03407	1.1
82.06578	0.8
83.04951	1.3
84.04505	4.6
84.08118	1.5
85.02909	5.5
86.09702	100.0
87.10022	1.1
93.03149	0.6
96.04484	7.9
97.02893	6.4
98.06046	1.2
98.97585	0.9
99.04478	2.0
100.03920	0.9
102.05559	1.3
104.10706	0.6
109.02860	0.7
110.06039	2.4
110.38165	0.6
114.05531	7.9
114.06284	1.1
115.02125	0.8
117.05470	1.5
119.01907	1.8
126.05499	7.2
128.05275	0.7
130.06522	0.9
130.12326	1.1
132.10201	69.9
133.10625	0.7
138.05460	2.1
139.99026	0.6
142.07803	0.7
144.06599	1.1
145.04948	1.8
147.04427	1.1
150.96873	0.6
156.06613	1.2
157.07857	1.0
157.13351	9.2
158.11800	3.4
160.67752	0.7
161.03012	0.6
161.09596	0.9
162.07724	0.7
168.06578	1.5
171.95145	0.7
175.07530	0.9
177.00768	1.0
185.12979	0.8
186.05797	1.0
186.07570	1.0
203.05327	6.3
203.06953	0.8
203.08582	1.1
203.10704	1.9
203.13989	4.6
204.08644	10.2
204.10350	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.8
56.05030	5.2
56.96554	1.6
57.03431	1.2
57.07071	24.8
59.04994	0.6
60.04522	22.5
68.05017	1.7
68.47538	0.6
69.03413	0.9
70.06587	1.1
70.72358	2.0
72.08150	2.3
73.02891	0.6
74.09714	78.8
81.07084	1.0
83.04958	2.0
83.06098	2.1
84.04500	100.0
84.08129	0.9
85.02902	8.1
85.04836	1.1
86.09686	1.9
91.05480	0.9
96.04500	2.9
97.02880	3.6
98.06000	0.7
98.97592	1.4
100.79115	0.6
102.05533	5.4
110.06001	0.8
112.03984	0.8
114.05514	2.3
116.98654	1.0
119.01869	1.5
119.03429	0.7
119.08635	0.7
124.98898	0.6
126.05513	2.4
130.04999	35.5
134.99672	0.7
140.10674	0.7
150.96869	0.8
156.06697	0.6
157.13348	16.9
158.11752	0.8
161.03024	1.0
161.04477	1.9
172.22827	0.6
185.12894	0.9
186.11241	66.3
187.11520	1.0
203.05301	1.9
203.13879	10.8
203.15614	0.8
204.08722	2.7
204.14032	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16858	3.3
64.98425	3.1
70.20264	16.8
70.59967	3.5
75.20458	3.4
84.08131	11.7
100.02513	5.0
101.00867	8.5
116.98553	4.0
118.03458	5.0
119.01916	100.0
120.01942	3.8
137.02954	59.2
142.03476	35.8
160.04559	33.2
161.02908	16.3
177.49831	3.7
178.01112	6.1
178.03979	3.9
178.05635	10.1
179.00694	7.3
179.03993	38.7
179.05322	4.5
193.22121	3.9
220.02106	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	202.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15221	0.2
54.41744	0.2
56.96561	1.5
57.03418	0.3
58.06598	0.7
58.53844	0.3
60.07874	0.5
60.08162	5.0
62.06083	0.5
67.04257	0.4
69.03433	0.8
70.06594	0.5
71.19994	0.4
72.04491	0.3
72.08139	0.3
73.02906	0.4
81.03436	0.6
82.06575	1.2
84.04503	0.4
84.08121	0.3
88.43026	0.2
88.54823	0.2
94.44259	0.2
98.97629	0.4
100.07611	0.4
102.09185	1.6
102.49146	0.3
104.10741	100.0
105.11089	0.4
109.99175	0.3
110.06017	0.5
112.07499	0.3
113.05988	0.4
114.05550	0.4
119.01920	0.4
119.43447	0.2
128.00145	0.4
128.62852	0.2
129.00555	0.6
129.02165	0.3
130.03487	0.5
130.05032	0.3
142.01772	0.3
142.04961	0.4
142.08656	0.4
146.01216	0.8
147.01573	0.8
157.04613	1.2
164.02211	0.4
174.02678	0.3
175.05670	0.6
184.13351	0.3
196.21437	0.3
202.07210	0.4
202.14377	27.1
202.18050	1.0
203.07645	0.7
220.03047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.5
55.58166	1.1
56.05033	1.8
56.96564	5.6
57.03185	1.4
57.03437	16.8
59.04995	9.7
60.04538	8.6
60.08155	1.7
61.02912	1.1
68.05040	1.3
69.03416	3.1
70.06583	8.6
71.04987	2.8
71.12965	1.8
72.08181	2.3
73.02917	1.3
74.06068	2.8
75.04470	2.2
77.00895	2.7
79.96384	1.2
82.06576	1.5
84.04492	3.0
84.08138	3.3
85.02904	9.8
86.09696	9.9
87.04467	2.1
88.28574	0.9
92.75430	1.0
94.01409	1.0
95.01376	1.2
96.04494	1.7
97.02882	1.7
100.07626	5.4
101.00861	1.6
101.49430	1.0
101.50964	1.0
102.05555	1.3
104.01954	2.1
104.10744	23.1
105.10425	1.3
105.11069	19.7
106.22183	0.9
112.02462	14.5
114.05538	2.4
115.03908	1.1
116.07092	9.5
119.01891	7.7
121.01633	1.2
126.09163	1.7
129.10306	1.5
129.99808	1.2
130.03500	43.6
130.04997	1.9
131.01892	1.2
131.05518	2.8
132.10213	6.2
133.03462	1.4
137.02965	2.8
139.03511	3.2
142.01755	2.9
144.06508	1.6
146.01253	3.2
148.00816	2.2
148.04533	6.3
157.04584	100.0
157.47049	1.2
158.03174	1.3
158.04698	2.8
160.02798	6.5
161.02914	5.3
161.06636	2.5
171.02875	8.4
173.02986	1.1
175.05644	87.5
180.06210	3.4
186.11359	1.4
191.04022	1.4
203.03641	2.4
203.05264	46.0
203.07623	10.0
203.10370	1.7
203.14796	10.9
204.08707	1.3
221.04353	2.0
221.06378	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1281
Annotation	N-Hexanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
51.56398	0.3
55.05499	0.7
56.05038	0.7
56.96569	0.8
57.03429	1.0
69.03431	1.1
69.07069	0.7
70.06579	0.4
70.78194	0.7
70.78559	0.5
71.04974	0.3
71.08631	7.1
72.04484	0.3
82.06583	1.7
83.04985	0.3
84.04502	14.3
84.08154	0.5
85.02901	28.4
86.09705	2.2
86.10149	0.4
87.04458	1.4
88.11275	2.0
95.01327	2.3
98.97565	1.9
100.07618	0.9
102.05539	13.0
102.09184	0.4
112.03991	1.9
113.02383	0.5
115.05485	0.3
116.98618	2.0
118.96745	0.4
130.04999	100.0
131.05334	0.6
134.99654	1.6
154.07520	0.3
165.38132	0.3
172.13362	1.5
172.53117	0.3
177.00639	0.5
177.98056	0.5
200.12808	83.6
201.13116	1.3
214.65833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
54.03466	1.7
55.01870	1.0
55.05507	4.8
55.93529	0.6
56.05039	1.0
56.96560	3.3
57.03438	1.4
58.06570	0.3
60.04531	0.4
60.95868	0.3
61.02916	0.5
65.03943	2.5
66.61327	0.2
67.04244	15.2
67.05511	1.0
68.05016	0.7
69.03432	1.1
69.07073	1.1
70.06586	2.2
70.12086	1.4
71.04977	0.5
72.04520	1.5
72.08154	1.2
73.02919	2.6
73.06570	0.4
74.02444	0.4
74.97594	0.3
79.05492	0.7
80.05011	5.2
81.03403	1.9
81.05806	0.5
81.07047	0.6
82.02944	0.7
82.06577	100.0
83.01341	1.0
83.04987	3.2
83.06908	0.7
84.04500	2.9
84.08134	3.0
84.96032	0.4
85.02894	1.4
86.06068	1.2
86.09709	3.6
87.04461	1.3
91.05479	1.4
92.05009	0.4
93.05783	1.0
93.07052	0.3
94.06549	1.5
95.08610	0.4
96.04516	0.5
96.08154	1.3
97.02881	1.1
97.06532	0.8
98.02408	0.4
98.06048	1.0
98.21545	0.3
98.97581	5.2
99.04446	0.8
100.03967	2.5
100.07613	62.5
101.07972	0.5
102.05552	0.5
106.06571	1.2
108.08125	1.7
109.06522	0.8
109.07656	0.4
110.01284	0.4
110.06030	4.3
111.00782	0.4
112.07612	1.1
114.05510	0.6
114.09145	0.8
116.97272	0.4
116.98615	5.1
117.07020	0.6
118.06550	0.7
118.43433	0.3
118.96761	0.6
119.01841	1.5
119.08591	1.4
120.02147	0.6
122.06035	0.5
124.07497	0.6
126.09123	0.8
127.03906	0.3
128.00198	0.7
128.03387	0.5
128.07059	2.4
128.98598	1.0
129.10208	0.4
131.01833	0.4
134.02309	0.3
134.99644	6.4
136.06110	0.3
136.07570	1.7
137.02940	0.4
138.05521	0.4
138.09189	0.4
140.02380	0.5
140.03375	1.6
140.07117	0.5
141.10222	0.7
144.10213	0.3
146.01215	1.4
146.02245	0.4
146.99670	0.8
152.96933	0.3
153.00749	1.7
154.08624	4.5
154.12190	1.7
155.02861	0.8
155.11780	0.5
156.06482	0.6
156.10129	0.6
158.01175	0.4
158.04478	2.2
158.99615	0.9
161.02864	0.4
164.02287	0.6
164.07072	1.0
165.00626	0.3
168.51027	0.3
170.08057	0.5
172.09666	1.6
174.85304	0.3
175.11826	0.3
177.00662	1.5
177.98068	0.4
182.04570	0.4
182.08105	10.3
182.11690	0.7
189.00700	0.9
191.03806	0.5
195.01711	0.5
195.26324	0.3
200.09125	8.5
200.10966	0.5
200.12750	2.4
200.19037	0.9
201.05836	0.3
201.09450	0.4
219.01569	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1329
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.03954	1.9
55.05512	23.4
56.05869	1.2
56.96558	2.2
57.03436	1.5
57.07077	11.8
57.93570	1.6
67.05498	4.2
69.03412	1.3
69.07072	4.1
70.07392	1.0
71.05005	1.1
71.32641	1.9
71.90644	1.1
72.04529	1.2
74.09715	6.6
75.94601	1.1
79.05491	4.4
81.03413	6.2
81.07050	5.6
82.03756	5.7
83.04982	9.2
83.08629	1.3
85.06557	7.1
91.05487	3.2
93.07043	11.0
95.04978	2.0
95.08601	12.0
97.06525	6.3
98.97573	5.3
100.07634	1.8
105.07042	4.4
107.08597	16.9
109.06521	3.5
109.10160	2.1
110.06137	0.9
111.04441	100.0
111.08090	3.5
113.05984	2.1
113.17863	1.0
116.97230	13.6
116.98576	5.1
117.07084	1.9
119.08590	1.4
121.06497	3.4
121.10125	2.0
125.05991	29.9
125.06936	1.5
127.07559	3.9
128.06224	1.5
131.99532	5.6
134.58253	1.0
134.99652	6.1
135.08073	14.2
135.11697	17.6
137.13290	1.5
139.07570	2.8
143.08601	1.8
145.10132	16.4
148.96188	1.7
152.96962	3.8
153.00671	2.3
153.12761	4.2
157.10132	2.4
158.15408	1.8
163.11189	16.5
170.97966	1.4
171.08238	1.0
175.17165	1.0
175.98512	10.3
176.02325	1.6
181.12256	22.9
199.07649	2.4
199.11002	1.6
199.14903	3.2
199.18918	30.9
212.65756	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.5
56.04784	0.9
56.05031	13.5
56.05833	0.8
56.96566	13.1
57.04556	3.0
57.07050	1.9
57.93563	3.9
58.06570	1.5
58.99815	0.8
59.06110	1.4
60.04513	0.7
67.05484	1.1
68.04993	0.8
69.03419	1.1
69.07056	1.9
69.95033	1.3
69.95435	2.2
70.06580	0.8
70.07413	0.7
71.04972	1.3
71.95240	1.1
72.04493	2.6
72.08133	0.9
74.09338	0.8
74.09718	8.4
75.05567	0.6
75.94598	3.2
77.00893	1.2
79.05480	1.2
80.05032	0.7
81.03419	5.9
81.04536	1.3
81.07032	1.1
82.01419	0.8
82.03696	0.6
82.99905	0.7
83.06105	1.1
83.08606	1.5
84.01754	0.6
86.06033	1.0
93.66414	0.5
93.95647	1.4
95.06059	1.2
95.08650	0.9
97.06500	0.9
97.07628	0.7
97.10171	1.2
97.99162	0.9
98.00902	0.8
98.21441	0.7
98.96152	1.1
98.97585	23.9
99.04453	2.9
99.05574	6.2
99.06185	1.0
100.02485	3.9
100.07619	2.4
101.00854	3.6
104.01968	0.9
107.08607	1.0
109.07567	0.6
111.04440	4.5
112.02441	0.8
116.00224	2.0
116.01945	8.9
116.96373	1.1
116.97242	31.1
116.98602	34.2
118.03519	24.3
119.01920	41.1
120.02005	2.2
121.01635	3.7
121.10137	0.8
125.07104	0.8
127.00932	1.2
130.03500	4.7
131.01906	1.3
131.99565	6.7
132.05051	3.4
133.03476	1.8
133.04587	2.7
134.01286	2.9
134.02988	100.0
134.95886	1.3
134.99657	59.4
135.03108	2.4
136.04552	35.2
137.02965	32.9
137.03941	0.9
137.04620	1.2
138.03046	2.3
138.04158	0.7
139.00996	0.7
139.02635	3.0
139.03577	1.9
141.05080	1.1
141.19246	0.7
142.03485	5.0
144.05115	0.9
146.02982	1.0
146.51431	0.8
148.04544	2.7
148.51648	0.8
148.96173	3.9
149.01289	0.8
149.06581	1.3
150.06085	3.7
152.04039	37.8
152.05959	1.5
152.96924	10.6
153.00710	21.2
153.04132	0.7
154.03523	1.4
155.06779	1.3
156.97502	2.2
157.03381	2.4
157.04585	27.3
157.97507	2.0
158.01253	3.3
158.02980	9.2
158.04855	1.3
159.06149	2.2
160.04555	8.0
160.06250	0.8
161.02966	2.0
164.04123	1.0
167.51938	1.1
170.97957	3.3
171.04967	1.0
172.04559	6.5
173.07759	2.2
174.06119	2.1
174.98613	5.2
175.04088	6.2
175.05653	33.3
175.98528	20.9
176.02391	5.1
176.04073	36.8
176.05844	8.2
177.00893	5.3
177.03883	0.8
178.04002	0.9
178.05644	3.4
180.06212	1.0
181.04642	2.3
182.03059	0.9
183.51668	0.7
189.06020	1.0
190.05612	3.3
191.08803	1.3
192.07162	0.9
192.98755	1.8
193.05067	1.3
193.06696	12.2
194.03407	2.1
194.05139	16.8
194.06955	2.9
195.05000	0.8
198.07361	1.2
199.00284	1.1
199.04115	2.7
199.05734	18.2
199.07506	0.9
199.18886	33.5
200.04071	2.7
216.99611	2.0
217.05048	3.2
217.06839	14.1
218.05211	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.9852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89101	0.1
55.05496	0.2
56.05032	0.3
56.09280	0.2
56.52852	0.2
56.96556	1.1
57.07077	0.3
69.07063	0.4
71.04986	0.2
71.57780	0.4
74.09719	0.3
79.05490	0.2
81.03407	0.3
83.08627	0.4
88.39859	0.2
89.57299	0.2
92.18678	0.2
97.10116	0.2
98.97575	1.7
99.04452	0.2
100.03967	0.3
100.07639	0.2
101.00864	0.8
111.04429	0.2
116.01951	0.2
116.98611	2.2
118.03519	0.6
118.51530	0.2
119.01919	4.3
120.95369	0.6
121.01641	0.2
121.96149	0.2
130.03526	0.3
134.01286	0.2
134.02980	2.9
134.99661	1.9
136.04535	0.7
137.02942	1.9
138.96349	2.2
139.02676	0.2
145.03304	0.2
146.02049	0.3
152.04019	0.5
153.00749	0.6
156.04947	0.2
156.97466	47.0
157.04585	0.6
157.97546	1.3
158.02979	0.2
172.04521	0.2
173.02718	0.3
174.98526	100.0
175.05652	0.7
175.98607	3.4
176.02539	0.2
176.04045	0.9
176.05908	0.5
176.98914	0.6
177.00861	0.3
179.99080	0.9
180.97467	0.4
180.99127	0.2
193.06717	0.2
194.06841	0.4
198.00116	1.4
198.18523	3.0
198.98514	8.8
199.00063	0.4
199.05609	0.3
199.18849	2.1
199.98448	0.4
200.04048	0.3
216.96201	1.5
216.99573	31.7
217.99686	1.0
219.00043	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1125
Annotation	Tenuazonic acid
Peak:m/z	Relative Intensity
53.03920	1.4
55.01848	1.3
55.02092	0.3
55.05505	8.6
56.05022	0.8
56.96562	3.5
57.03433	2.0
57.07071	4.1
58.06591	0.7
60.04515	0.3
60.08157	0.7
65.03934	0.4
65.93789	0.3
67.05500	2.8
68.05024	2.7
69.03422	6.3
69.07062	15.9
69.69785	1.8
70.06587	2.9
70.07386	0.3
70.95850	0.5
71.04967	0.7
71.08617	1.4
72.04511	2.6
72.08136	1.0
72.93767	0.5
73.02898	0.9
79.05495	2.3
80.05009	3.0
81.03412	35.9
81.07048	2.4
82.02932	0.3
82.03741	0.7
82.06572	2.4
83.01339	0.4
83.04982	2.3
83.08614	5.3
84.04501	6.3
84.08138	8.6
84.96012	0.7
85.02894	11.2
85.10170	0.3
86.06033	1.2
86.09698	19.5
87.04459	3.6
89.03902	1.7
91.05474	0.7
93.07035	1.5
94.06541	0.9
95.01298	0.7
95.04940	1.3
95.06069	0.8
95.08608	1.4
96.04471	1.2
96.08109	2.4
97.02866	1.3
97.06518	2.1
97.10139	2.7
97.63351	0.3
98.06051	7.9
98.09639	0.5
98.21478	0.4
98.97572	2.3
99.04438	3.1
100.03961	2.8
100.07619	1.6
102.05521	1.7
106.06528	1.2
107.08557	1.6
108.04488	0.6
108.08156	0.5
109.06468	0.5
109.10166	0.3
110.06038	1.1
110.09666	0.5
110.97546	0.5
111.04464	0.3
111.08058	1.0
111.98483	0.3
112.03940	1.2
112.07594	2.5
113.02376	0.3
114.05505	0.9
114.09197	0.4
115.03937	0.6
115.07578	0.4
116.97273	1.6
116.98598	2.8
117.03369	3.0
120.72730	0.3
121.10159	0.8
121.72448	0.3
124.03949	0.4
124.07559	1.4
124.11206	0.9
125.09688	0.7
126.05512	2.5
126.09132	0.5
128.98611	1.1
129.99516	0.3
130.04987	4.6
132.95866	0.3
134.03632	0.4
134.05994	0.4
134.09534	0.4
134.99640	1.7
135.01877	0.3
135.04425	0.5
135.08026	0.5
140.07047	1.9
140.07947	0.3
142.04991	0.8
143.00110	0.5
145.02826	6.3
146.03162	0.6
146.99654	1.6
149.05945	1.0
150.96843	0.6
151.97011	0.7
152.04254	0.6
152.07066	1.9
152.10667	0.7
152.96899	0.5
158.99698	0.6
161.01231	1.5
163.03841	0.7
165.00694	0.4
166.04897	0.3
168.06580	0.5
170.08087	1.5
170.11713	2.3
174.98763	1.2
175.98500	0.9
177.00789	0.7
177.05463	6.4
178.05844	0.7
179.02283	0.3
180.06479	1.5
189.00731	0.7
198.05870	0.4
198.07603	2.9
198.11244	70.9
198.18512	100.0
199.07458	0.6
199.11597	1.9
199.18912	0.5
219.01776	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
53.41251	0.2
54.03454	0.2
55.01868	0.6
55.05508	1.9
56.05018	0.3
56.16835	0.2
56.96566	0.8
56.99078	0.2
57.03447	0.4
57.07075	0.4
58.06590	0.3
60.08160	23.3
67.05502	0.3
68.05025	9.4
69.03421	1.0
69.07053	1.1
69.77909	1.3
70.06591	1.3
72.04512	0.8
72.10924	0.2
73.02908	0.5
79.05481	1.2
80.05020	1.7
81.03413	8.2
81.07058	0.3
82.03741	0.3
82.06580	1.1
83.04974	0.5
83.08613	0.7
84.08139	0.8
85.02885	0.6
86.06106	0.3
87.32375	0.2
91.05451	0.7
93.07011	0.7
94.06559	0.3
95.06084	100.0
95.55857	0.2
96.05873	0.3
96.06420	1.1
96.08134	0.6
97.02869	0.5
97.10188	0.3
98.06047	3.2
98.20812	0.3
98.97565	0.5
99.04460	0.5
100.02476	0.3
100.03973	0.7
100.07596	0.7
103.02415	0.4
105.07011	0.6
106.06541	0.5
107.04974	0.3
107.08597	0.5
108.04441	0.3
110.06040	1.8
111.05560	0.8
112.07622	0.4
115.05463	0.2
117.07014	0.5
117.30112	0.2
118.03511	0.3
119.01905	1.1
120.02048	0.2
121.03443	0.4
122.06059	0.3
124.07564	0.4
126.05490	0.4
130.03450	0.2
131.01874	0.4
132.08066	0.8
133.03496	0.2
134.09612	0.4
134.99684	0.3
136.07501	0.2
137.02919	0.4
139.05014	0.5
140.07024	0.5
140.58571	0.2
143.01947	0.2
148.07576	0.4
150.09093	1.1
152.07039	0.9
154.13380	22.6
155.13727	0.4
160.07629	0.3
161.02911	0.3
162.09134	1.2
165.08923	0.2
168.06564	0.2
170.02974	0.6
170.11717	0.7
174.02507	0.3
174.98563	0.2
175.02690	0.3
180.06561	0.5
180.10158	0.8
182.08113	0.3
193.00130	0.3
198.07567	0.6
198.10930	0.9
198.12622	3.9
198.18515	13.2
199.04727	0.2
200.60573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01862	1.8
55.05257	0.6
55.05508	9.0
56.05021	1.3
56.96550	1.7
57.02890	0.4
57.03418	1.5
57.07069	4.0
58.06590	1.1
60.08157	1.7
67.05503	2.5
67.35932	0.4
68.05032	4.3
69.03079	0.4
69.03428	5.1
69.07066	18.7
69.49447	3.0
70.02946	0.6
70.06593	3.4
70.95852	0.8
71.04972	0.7
71.08618	1.3
72.04522	3.5
72.08154	2.2
72.93772	0.7
73.02904	0.4
74.06059	0.6
74.09740	0.7
75.94623	0.5
79.05492	2.7
80.05019	4.4
81.03417	33.9
81.05805	0.7
81.07042	3.4
82.02930	0.7
82.03759	0.5
82.06573	3.4
83.01338	1.0
83.04983	2.4
83.06031	0.6
83.08621	5.0
84.04504	6.4
84.08144	7.1
85.02419	0.7
85.02901	9.5
85.06535	0.7
86.06042	1.3
86.09702	7.0
87.04455	1.9
91.05473	1.0
93.07031	1.9
94.06562	1.4
95.01328	0.7
95.04963	1.2
95.06099	5.5
95.08581	1.4
96.04478	2.3
96.08124	3.5
97.02886	0.6
97.06523	1.2
97.07629	0.5
97.10189	3.2
98.06054	11.0
98.09679	0.6
98.97579	0.8
99.04470	3.0
99.05576	0.6
100.03982	2.9
100.04530	0.5
100.07631	2.0
102.05539	4.5
105.07071	0.4
106.06554	1.5
107.04929	0.7
107.08580	1.5
108.04497	0.6
108.08083	1.0
110.06024	1.9
110.09664	0.5
111.04424	1.3
111.05544	0.5
111.08070	1.0
112.03950	1.2
112.07599	1.0
114.05528	1.2
114.09178	0.8
114.65533	0.4
115.03919	0.6
116.97234	2.8
116.98608	0.7
117.06969	0.5
121.10092	0.7
122.05997	0.4
123.04391	0.6
124.03941	0.5
124.07601	4.6
125.07092	1.2
126.05521	3.0
128.07092	0.6
130.04999	20.4
131.99532	0.7
134.06052	0.7
134.09618	0.7
134.99599	0.6
135.03020	0.4
136.03905	0.8
136.07623	0.4
137.02357	0.5
138.05463	1.1
139.04997	1.0
140.07076	2.0
142.04988	1.5
142.08649	0.6
146.99681	0.7
148.96199	0.6
150.96852	0.9
151.97002	0.7
152.07060	5.5
152.96922	1.0
154.05023	0.7
154.13371	1.2
156.06514	1.6
168.06468	0.6
170.06885	0.4
170.08125	2.6
170.11746	0.9
174.96849	0.5
174.98779	0.7
175.98517	2.7
180.06535	1.6
180.10164	0.6
181.06261	0.5
181.09650	0.5
198.05846	0.7
198.07611	3.6
198.09711	0.6
198.11232	28.3
198.18524	100.0
199.11731	0.4
199.18806	1.4
214.31325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	0.5
53.03940	1.5
55.01870	2.7
55.05510	7.5
56.05035	1.6
56.96565	2.2
57.03435	4.7
57.07077	4.1
60.04533	0.5
60.08165	0.4
67.05502	1.4
68.05025	3.0
68.05829	0.4
69.03426	3.8
69.07073	5.9
70.06591	4.3
70.95862	0.9
71.04996	0.9
71.08633	24.9
71.58691	0.4
72.04520	4.1
72.08156	1.7
72.93783	0.5
73.02917	0.6
73.96396	0.3
76.93361	0.4
79.05483	2.1
80.05027	3.6
81.03419	35.2
81.07056	2.5
82.02946	1.8
82.03749	0.6
82.06570	3.1
82.55881	0.4
83.01339	4.5
83.04993	2.3
83.08616	5.1
84.04516	3.2
84.08132	1.2
85.02905	20.5
85.07662	0.4
86.06065	1.3
86.09692	0.9
91.05473	1.1
93.07053	1.7
94.06563	0.7
95.04966	0.9
95.06086	1.2
95.08585	0.9
96.04467	1.2
96.08125	1.4
97.02901	0.8
97.05318	0.4
97.06541	1.7
97.10173	3.1
98.06055	8.3
98.97572	1.2
99.04469	3.4
100.03971	4.5
100.07621	1.8
102.05512	1.1
106.06538	1.4
107.08593	1.3
109.10174	0.6
110.06034	1.2
110.09695	0.5
111.00809	1.7
111.04439	0.7
111.08098	0.6
112.07599	0.4
114.09168	1.0
116.97242	2.7
116.98608	1.5
117.03376	0.6
121.10146	1.0
123.06777	0.4
124.07605	1.4
124.11274	0.5
126.05521	2.8
128.03442	80.5
129.03766	0.8
129.16531	0.4
129.99481	0.6
131.99577	0.8
134.99678	1.5
136.11224	0.7
140.07076	1.8
145.02827	1.2
150.96892	1.6
151.97081	0.9
152.07083	2.1
152.96895	0.7
156.97679	0.5
168.06609	0.7
170.08087	2.2
174.98839	1.0
175.98541	1.6
177.05458	1.1
180.06525	1.7
180.13789	1.1
198.07547	2.6
198.11263	50.9
198.18529	100.0
199.11606	1.1
199.18880	1.1
205.24355	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0761
Annotation	DL-DOPA
Peak:m/z	Relative Intensity
53.03936	2.1
55.01859	1.6
55.05509	6.2
56.05044	0.8
56.96555	2.2
57.03448	0.8
57.07075	3.0
58.06593	0.6
60.08144	1.3
64.75222	0.6
67.04237	0.6
67.05489	1.7
68.05013	2.5
69.03422	2.7
69.07061	5.9
70.02948	0.5
70.06596	3.3
71.08598	0.9
71.43637	1.3
72.04513	2.7
72.08142	1.0
74.02460	2.7
74.02784	0.5
75.94583	0.5
79.05500	4.8
80.04995	4.1
81.03419	31.2
81.07037	2.1
82.02934	0.6
82.06582	2.9
83.04973	2.1
83.08630	4.4
84.04510	1.6
84.08128	1.7
85.02900	0.6
86.06061	1.5
86.09687	1.1
91.05479	1.8
93.07024	1.5
94.06535	1.5
95.04962	1.6
95.06074	3.8
95.08579	1.5
96.04492	1.5
96.08124	2.7
97.02863	1.0
97.06537	1.3
97.10172	2.6
98.06050	6.3
98.97594	0.8
99.04458	2.5
100.03975	1.9
100.07626	2.4
102.05521	0.7
106.06554	7.9
107.04951	14.0
107.08598	1.2
108.04436	0.8
108.05756	0.9
109.02861	1.0
110.06018	1.7
111.04447	2.4
111.08088	1.1
112.07618	0.6
114.09167	1.0
116.97230	1.3
116.98586	0.7
118.06526	1.9
119.04921	0.8
123.04453	0.9
124.07574	2.2
125.05975	1.2
126.05518	2.7
130.05066	0.6
131.99576	0.9
134.06029	7.2
134.99661	0.6
135.04416	19.2
136.04800	0.5
136.07555	0.6
138.09183	0.6
139.03908	4.9
140.07129	1.1
150.96852	0.9
151.97192	0.6
152.07060	31.8
153.07384	0.6
154.13345	0.9
163.03906	1.3
170.08089	1.1
170.11746	1.7
173.98419	0.7
174.98790	0.9
175.98560	0.9
180.06554	3.5
181.04941	1.9
198.07596	5.6
198.11258	2.0
198.18529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1535
Annotation	beta-Terpinyl acetate
Peak:m/z	Relative Intensity
55.01860	7.0
55.05511	31.4
57.03428	6.7
67.05502	41.6
69.03427	2.9
69.07061	25.3
70.30879	6.0
70.31236	5.8
71.04990	17.0
79.05487	22.7
81.03416	5.0
81.07054	87.1
83.04970	5.4
83.08614	19.1
85.06541	22.2
91.05482	23.6
93.07037	27.1
95.08601	100.0
96.08877	2.9
97.06528	44.4
97.10155	5.1
98.21416	3.1
99.08090	5.9
105.07021	30.0
107.08568	15.9
109.06471	5.1
109.10137	7.6
111.08080	7.4
119.08569	45.4
121.10178	16.5
123.08038	6.4
133.10135	31.3
135.11700	30.5
137.09633	3.0
137.13258	24.5
150.96895	5.0
161.13255	75.2
173.98459	3.1
179.14299	35.4
197.15355	12.5
198.18668	3.9
211.27473	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	197.1536
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03941	4.6
55.01858	4.3
55.05507	34.3
56.05839	1.3
56.96568	1.6
57.03432	4.0
57.07062	3.9
59.05003	1.9
67.05128	1.9
67.05500	39.0
67.05830	1.3
68.05032	3.7
69.03438	8.7
69.07063	28.3
69.31432	12.8
70.06586	4.7
70.25826	1.4
70.95865	15.3
71.04990	9.9
72.04513	4.9
72.93789	10.6
73.02910	1.5
73.06551	1.8
79.05491	24.5
80.05024	5.0
81.03413	62.2
81.07054	79.9
82.06584	4.4
83.04985	11.8
83.08615	19.4
84.04527	1.8
85.02905	2.1
85.06541	16.6
87.04450	1.9
88.96922	4.7
90.94827	2.3
91.05476	21.0
91.56977	1.3
92.05850	1.4
93.07038	27.0
95.04967	4.3
95.08604	100.0
96.04503	2.9
96.08102	1.5
96.08944	2.1
97.02876	3.1
97.06522	31.6
97.10168	9.4
98.06042	11.4
98.97562	1.8
99.04447	5.5
99.08087	7.0
100.03968	4.1
100.07616	2.2
101.06036	1.5
102.05574	2.1
105.07026	31.2
106.06564	3.0
107.08584	19.6
109.06525	6.8
109.10168	8.7
111.08073	5.5
111.98476	11.0
113.08270	4.9
113.09606	1.5
115.05409	1.7
115.07584	2.7
116.81223	1.2
118.36875	1.3
119.08575	36.3
121.10138	11.7
123.04414	2.0
123.08067	8.1
124.07586	2.1
126.05513	4.6
129.99515	10.5
132.95827	13.6
133.10120	30.0
134.99649	2.0
135.11684	27.1
137.05942	6.0
137.08144	1.7
137.09631	4.3
137.13243	20.7
138.06735	1.4
140.07059	4.9
141.05457	1.3
141.06956	2.6
150.96870	44.5
151.03925	3.6
151.11186	2.6
152.07082	3.7
154.07767	2.0
155.08374	2.1
155.97418	11.6
161.09618	2.3
161.13243	54.9
167.08582	3.9
168.97923	2.2
169.06566	1.6
169.08655	2.2
169.10126	5.3
170.08134	2.9
173.98476	27.1
179.10637	9.4
179.14293	27.5
180.06552	1.8
182.05685	1.4
182.10886	2.7
197.00087	2.4
197.08080	3.4
197.11681	5.4
197.13312	9.0
197.15193	9.7
198.07625	3.4
198.18506	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0808
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03935	0.9
54.48534	0.3
55.01867	2.6
55.05497	0.8
56.96550	0.8
57.03424	0.4
57.07064	0.4
59.07214	0.3
65.03938	2.2
67.05497	2.5
68.05017	0.4
69.03410	1.0
69.07067	0.5
70.06592	0.4
70.69150	0.9
70.95859	3.8
71.04995	0.6
71.06140	0.3
72.04485	0.3
72.93784	2.1
73.02915	19.4
77.03934	0.4
79.05486	1.0
80.05034	0.4
81.03409	3.9
81.07047	0.8
82.06557	0.4
83.04968	0.6
84.04507	0.5
85.02895	0.7
87.21487	0.2
88.96907	1.2
90.94801	0.5
91.03915	0.5
91.05476	3.5
93.03389	0.5
93.07045	0.4
95.04974	2.6
95.08596	0.5
96.04474	0.5
97.02879	0.6
97.06531	0.3
98.06065	0.7
98.97579	0.5
100.81525	0.2
105.03426	0.4
105.07040	1.2
107.04977	0.4
107.08572	1.1
108.02066	2.4
109.02855	0.6
109.06506	0.8
109.10168	0.2
110.03658	2.3
110.06070	0.3
111.04459	2.8
111.98460	2.9
112.01594	0.3
113.08261	1.7
113.96390	0.4
117.03375	0.4
119.01928	0.4
119.04935	1.8
121.03983	0.3
123.04380	0.4
125.05987	13.3
125.14312	0.2
126.05513	0.3
127.03913	0.3
129.99503	2.7
132.95825	4.1
133.10152	1.3
135.11679	0.7
136.01567	0.6
137.05983	1.2
137.08224	0.8
137.09558	0.4
138.06616	0.5
141.05464	5.2
141.06607	0.2
143.06964	0.2
149.05966	3.1
150.96892	11.0
151.03900	100.0
151.04996	8.1
151.07385	3.1
152.04253	1.2
152.07036	0.3
155.09326	1.1
155.97412	2.8
161.09642	0.8
168.97997	0.8
173.98499	6.6
179.07027	15.4
179.10426	1.2
180.07512	0.3
197.00151	0.3
197.06238	0.5
197.08066	4.8
197.09988	0.5
197.11743	0.8
198.07628	0.4
198.18509	0.4
198.47134	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1537
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
53.03941	2.7
55.01867	7.9
55.05507	37.2
56.96551	4.7
57.03436	6.1
57.07074	8.2
65.03933	2.3
67.05502	43.8
68.05013	6.0
69.03426	8.7
69.06721	1.8
69.07068	29.1
70.06591	5.8
70.95860	17.4
71.00953	2.2
71.01351	42.8
71.04636	2.0
71.04991	21.5
71.08625	1.8
71.14460	1.1
71.14780	2.3
72.04517	5.3
72.93787	10.4
74.37917	1.4
79.05490	29.1
80.05014	5.1
81.03415	67.7
81.07053	88.3
82.06581	5.8
83.04972	9.8
83.08613	23.2
84.04489	2.2
84.08089	1.1
85.02894	2.4
85.06055	1.9
85.06535	21.6
85.10160	4.3
87.04472	1.7
88.96902	6.5
90.94817	3.4
91.05476	24.8
93.06462	2.3
93.07034	27.7
95.04957	7.5
95.06111	1.4
95.08601	100.0
96.04507	1.8
96.05627	1.5
96.08131	4.0
96.08911	1.3
97.02877	2.3
97.05229	1.3
97.06524	40.0
97.10168	8.2
98.06049	15.2
98.97565	1.3
99.04425	6.0
99.08075	6.1
100.03957	4.8
100.07599	1.4
101.06017	1.9
102.05558	2.4
105.03430	1.3
105.07024	31.5
106.06513	2.7
107.04964	1.2
107.08588	23.6
108.08884	1.1
109.06525	8.5
109.09450	1.7
109.10152	22.0
110.07108	1.2
111.08069	10.2
111.98474	14.7
113.08240	7.0
113.09628	2.4
113.96404	1.2
114.06618	1.0
115.05445	1.2
117.06980	2.1
119.04945	1.1
119.08576	36.0
121.06472	1.9
121.10141	10.5
123.04398	2.4
123.08062	8.0
123.11672	2.8
124.07595	2.4
125.06028	2.6
125.09664	7.2
126.05494	4.9
127.03883	1.4
127.07547	1.9
127.11186	1.1
129.99513	13.5
131.08575	1.4
131.97453	2.1
132.95836	17.2
133.10124	35.0
135.11688	24.8
135.58272	1.1
137.05949	5.1
137.08092	3.0
137.09618	6.1
137.13232	14.5
138.06740	2.0
139.07518	2.2
139.11115	1.6
140.07031	3.8
141.05379	1.5
141.07024	2.6
149.13193	1.6
150.96889	61.1
151.03893	4.7
151.07503	2.2
151.11185	3.0
151.97086	1.1
152.07091	3.3
153.06990	2.3
154.06293	2.4
154.07687	1.9
155.07414	1.3
155.08519	6.0
155.09410	3.4
155.10617	27.8
155.97417	17.8
156.09459	1.2
156.10895	1.3
161.09596	4.7
161.13246	49.6
167.08592	3.5
168.97929	3.6
169.08733	2.2
169.10132	7.9
170.08136	2.5
173.98488	37.5
179.07112	1.6
179.10672	13.5
179.14287	22.2
180.06520	2.5
182.05766	1.9
182.07295	2.2
182.10916	4.2
197.00072	3.3
197.05952	3.3
197.08025	4.3
197.09689	5.8
197.11711	15.1
197.13283	10.0
197.15369	14.9
198.07639	4.7
198.09267	1.4
198.18518	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
54.61769	0.2
55.01868	2.8
55.05496	0.6
55.93505	0.4
56.96552	0.9
57.03411	0.5
57.04694	0.2
57.07069	0.5
59.06100	0.2
60.00326	0.2
61.93316	0.2
62.73156	0.2
62.86473	0.2
65.03936	2.0
67.05500	2.0
68.05032	0.4
68.99767	0.3
69.03410	0.8
69.07051	0.5
70.06572	0.4
70.95858	5.6
71.01343	0.3
71.04958	0.3
71.28937	0.4
71.29257	0.3
72.04502	0.3
72.93778	3.4
73.02911	19.7
79.05472	0.6
80.04987	0.5
80.54466	0.2
81.03410	4.1
81.07038	0.8
82.06569	0.4
83.04982	0.3
84.02106	0.3
84.04495	0.8
84.08131	0.4
85.02901	0.4
88.96901	1.3
89.03903	0.3
90.94812	0.9
91.03961	0.2
91.05470	3.4
93.03392	0.6
93.07024	0.7
94.60459	0.2
95.01283	0.3
95.04977	2.1
95.06074	0.4
95.08605	0.7
96.05652	0.2
96.08085	0.3
97.02871	0.5
97.06501	0.3
98.06042	0.9
98.97594	0.4
99.04443	0.4
100.04017	0.2
105.07001	1.1
106.97863	0.2
107.04935	0.4
107.08589	0.9
108.02082	2.4
108.58044	0.3
109.02875	0.9
109.06524	0.5
109.10161	0.3
110.03654	2.5
111.04437	2.7
111.98469	3.6
112.01560	0.4
113.08242	1.9
113.96386	0.9
116.98640	0.3
117.03379	0.3
119.04926	1.9
123.04398	0.6
123.11713	0.2
125.05985	14.1
129.99489	3.5
131.97432	0.4
132.95821	6.0
133.02785	0.3
133.10133	1.5
134.99666	0.2
135.11655	0.6
136.01547	0.5
136.05132	0.2
137.05974	1.8
137.08234	0.6
140.07040	0.5
141.05466	5.2
141.06589	0.5
147.04390	0.3
149.05974	2.7
150.95888	0.3
150.96878	18.4
151.03894	100.0
151.04979	7.2
151.07408	3.2
151.97192	0.3
152.04253	1.4
152.07051	0.5
155.09300	1.3
155.97408	5.0
161.09642	0.6
161.13289	0.2
168.97862	1.1
169.08688	0.3
173.98477	10.7
174.00719	0.6
179.07022	17.5
179.10429	1.4
191.99548	0.4
197.00137	0.7
197.06049	0.8
197.08067	5.1
197.09941	0.6
197.11806	0.7
198.07584	0.5
198.18527	0.5
198.60262	0.2
217.90596	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.1
55.01873	8.6
55.05510	37.0
55.93497	1.5
56.05022	4.7
56.96561	14.6
57.03428	5.3
57.07053	1.4
57.98119	1.3
58.06591	1.9
65.03945	3.2
67.04242	1.9
67.05505	17.5
68.05028	11.6
69.03427	9.1
69.07066	11.3
69.71972	10.8
69.96159	1.8
70.06590	44.8
70.95860	18.7
71.04986	3.4
72.08125	3.8
72.93772	11.8
73.02913	2.9
79.05488	30.5
80.05015	100.0
81.02969	2.7
81.03419	31.9
81.05798	3.2
81.07053	20.3
82.06104	3.1
82.06578	44.8
83.04977	32.6
83.06106	1.9
83.07371	5.4
83.08600	1.7
84.04503	3.3
84.08140	7.9
85.02908	3.3
86.06065	3.0
88.96901	4.5
89.03938	1.5
90.04213	1.5
90.94837	4.3
91.05479	34.3
93.05796	2.2
93.07038	26.5
94.06563	22.2
95.04967	12.0
95.06098	1.8
95.08592	7.5
96.04488	15.1
96.08111	6.3
97.02914	3.9
97.06534	5.5
98.06056	31.4
98.09691	2.0
98.21487	2.0
99.06865	1.6
100.07562	2.4
100.08723	1.8
103.05479	1.8
105.03365	2.0
105.07027	46.9
106.06551	8.6
107.04952	3.6
107.08582	17.5
108.04469	7.0
108.05607	2.0
108.08128	14.9
109.06504	6.9
109.10132	3.1
110.06031	5.5
110.09676	3.2
111.04423	2.6
111.08072	9.3
111.98476	17.2
113.08250	6.5
114.05515	5.6
117.05795	2.6
117.07020	3.8
118.06528	5.2
119.04961	2.7
119.07298	2.4
119.08580	4.2
120.08101	6.2
121.06474	3.1
121.10149	5.0
122.06006	11.2
122.09644	8.6
123.04424	5.2
123.08089	12.4
123.11687	2.5
124.07602	3.6
124.11243	3.5
126.05502	24.6
128.06235	5.7
129.99519	12.6
131.07332	3.4
131.08571	9.2
131.96182	2.0
131.97400	2.5
132.08063	6.6
132.95839	22.3
133.02844	5.7
133.10121	28.1
134.09637	8.9
135.04427	4.8
135.06830	2.3
135.08051	6.0
135.11722	2.8
135.33759	1.6
136.00958	2.6
136.05019	2.1
136.07594	8.4
136.11142	3.6
137.05978	3.2
137.08208	3.8
140.07048	6.1
143.08542	3.7
145.02739	1.8
145.08894	1.9
148.11234	11.5
149.09618	6.4
149.97212	7.8
150.03012	2.5
150.05476	4.4
150.09114	2.6
150.12781	9.8
150.96884	64.5
151.03915	5.7
151.11153	4.8
152.07144	3.8
153.05383	1.9
155.09325	2.3
155.97417	17.4
158.09610	2.0
160.11208	12.0
161.02408	2.5
161.09653	6.4
163.03920	7.8
164.10753	3.2
166.12256	2.4
168.97987	3.1
172.98851	2.5
173.98488	40.9
173.99890	2.8
178.04927	4.1
178.08607	2.1
178.12256	31.6
179.03391	5.1
179.10683	5.3
185.01221	2.9
196.06009	4.4
196.09660	9.1
196.13316	44.4
196.16966	9.9
197.00008	1.8
197.10188	2.1
203.02261	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	195.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53372	1.0
51.53986	1.0
52.15955	1.2
53.03941	1.5
55.01871	11.5
55.05505	36.9
55.71939	1.0
57.03431	1.3
57.07072	10.6
59.04996	2.8
65.03921	1.3
67.05497	18.3
68.05000	1.3
69.03419	21.2
69.07061	80.3
70.92890	1.7
70.93257	2.2
71.04987	8.6
71.08614	1.6
79.05482	15.1
81.03405	1.9
81.07048	53.0
83.04956	4.3
83.08607	26.8
85.06528	11.6
85.10146	2.3
89.03894	9.4
89.06004	2.8
91.05472	8.5
93.07034	34.3
95.04939	2.9
95.08597	81.4
96.04478	2.4
97.06535	3.9
97.10166	18.3
99.08081	100.0
100.08368	1.2
103.05472	1.7
105.07014	7.5
106.06537	4.3
107.04971	6.3
107.08581	59.3
109.06502	2.4
109.10151	21.9
111.04369	1.4
111.08066	38.9
111.11704	8.1
113.09619	7.4
117.03373	14.4
117.07014	1.0
119.08566	1.7
121.06462	1.7
121.10128	90.3
122.10432	1.4
123.08071	1.9
123.11702	9.5
124.05232	1.6
125.05965	1.5
125.09617	57.5
125.13223	1.4
133.10092	2.4
134.03607	3.0
135.04384	5.0
135.08031	2.5
135.11678	29.6
137.13240	31.2
139.07530	1.4
139.11182	9.2
143.70164	1.0
145.02823	28.1
145.03970	1.4
147.04459	1.2
148.97401	2.1
149.05974	10.3
149.13261	9.3
151.14792	1.5
153.05490	1.3
162.03107	1.1
163.03889	3.8
165.06946	2.0
167.07036	1.2
177.05470	30.6
177.09050	1.7
177.12775	3.7
177.16370	97.3
178.16756	2.1
195.02887	3.5
195.06485	4.1
195.08293	2.2
195.10066	1.4
195.11694	2.8
195.13795	2.8
195.15817	1.2
195.17432	32.9
196.16875	1.8
200.67282	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1743
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03937	4.2
55.01870	10.7
55.05509	27.9
56.96565	6.5
57.03444	3.0
57.07067	6.7
59.05005	2.2
65.03941	3.1
67.05503	22.5
68.05030	3.7
68.96313	2.5
68.99792	21.0
69.03425	7.8
69.07063	35.1
69.43096	1.6
69.68310	9.6
71.04981	9.2
78.84142	1.5
79.05489	39.1
80.05003	2.4
81.03417	6.3
81.06572	3.0
81.07054	57.3
83.04974	9.1
83.08612	15.8
84.04523	1.7
84.08133	3.2
85.02921	3.5
85.06525	8.5
85.10183	10.3
89.03910	23.8
89.06027	6.9
91.05483	20.1
93.07044	43.1
95.04951	9.8
95.08601	59.3
96.04477	7.2
97.02923	2.7
97.06533	6.6
97.10160	8.5
99.04439	1.9
99.08089	29.8
103.05481	3.1
105.07019	9.7
106.06567	16.0
107.04956	42.5
107.08591	49.4
108.08228	1.6
109.06511	16.3
109.10149	11.7
111.04442	6.6
111.08086	29.2
113.09647	3.3
116.98739	1.4
117.03373	45.0
117.07024	3.4
119.04982	2.6
119.08600	3.3
121.06512	8.5
121.10138	57.8
122.06065	2.0
123.04468	1.6
123.08080	3.7
123.11745	2.9
124.05166	1.9
125.05985	2.3
125.09615	17.4
127.99930	1.8
130.96326	2.0
131.08574	5.5
131.96132	2.0
133.10182	5.9
134.03647	6.4
135.04417	25.8
135.08057	6.9
135.11685	28.9
137.05986	3.6
137.09615	2.8
137.13246	17.7
138.05533	3.5
138.06636	4.6
139.03958	1.8
139.05847	4.5
139.07527	3.0
139.11153	4.7
145.02847	84.5
148.97377	4.9
149.01268	2.3
149.05978	23.8
149.07079	2.7
149.09657	5.9
149.13240	11.4
149.97224	6.1
150.05440	2.1
152.06203	2.7
153.05542	2.7
153.09116	37.6
153.97942	2.2
154.06213	3.5
159.11702	8.6
163.03906	26.3
165.05721	1.4
165.07056	5.0
166.07819	2.1
167.07051	8.3
167.08490	2.5
171.98996	3.5
172.49612	1.5
172.98824	2.2
177.05463	100.0
177.08972	3.0
177.12756	8.0
177.16374	61.7
178.05864	3.5
180.09381	2.2
186.05556	2.3
195.02933	11.8
195.06760	10.2
195.08391	5.2
195.10017	9.5
195.11713	7.3
195.13745	9.9
195.15654	3.2
195.17393	13.2
196.17000	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1742
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03932	1.6
55.01870	9.6
55.05508	34.4
57.07079	7.2
60.58651	1.3
63.22837	1.2
67.05502	15.0
69.03426	20.4
69.07064	65.9
71.04985	10.0
71.08637	2.0
71.19147	1.8
71.19471	2.2
79.05492	16.3
81.03416	2.0
81.07050	49.1
83.04973	3.9
83.08612	26.1
85.06535	7.9
85.31167	1.3
89.03912	5.8
89.06032	1.5
91.05489	5.5
93.07047	26.9
95.04976	2.7
95.08602	67.6
97.06530	2.5
97.10158	13.4
99.08089	100.0
103.71256	1.2
105.07033	6.2
106.06558	3.5
107.04964	5.7
107.08587	51.5
109.10156	17.2
111.08081	31.0
111.11714	8.0
113.09632	5.7
117.03375	8.0
119.08575	2.3
121.10139	79.4
123.11677	8.6
125.09627	52.7
133.10066	1.8
134.03613	1.6
135.04398	2.3
135.11688	20.0
137.12292	2.6
137.13254	25.8
137.14235	2.2
139.11197	7.7
145.02841	15.3
149.05969	3.6
149.09621	2.5
149.13277	7.8
153.05492	1.4
160.75372	1.6
163.03911	5.0
167.07014	1.4
177.05484	19.5
177.16385	84.2
178.16652	1.7
195.02948	2.7
195.06584	1.8
195.08578	2.2
195.17421	31.3
208.08714	1.7
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
51.02367	0.9
52.65488	1.0
53.03941	3.9
55.01865	2.8
55.05508	15.5
56.96566	1.5
57.03430	3.1
57.07070	1.8
59.04988	1.1
65.03938	2.2
67.05502	83.3
68.05003	1.0
69.03405	1.4
69.07065	14.3
69.18874	0.9
70.64279	3.0
71.04990	6.6
76.44081	0.9
79.05489	40.9
80.05808	1.0
81.03426	4.4
81.07053	100.0
82.07381	1.8
83.04971	8.8
83.08612	9.1
85.06544	5.7
89.03920	2.2
89.06027	1.4
91.05479	23.1
93.07040	62.1
94.07336	1.1
95.04959	7.8
95.08602	41.8
96.04478	1.8
97.06530	17.4
97.10154	2.0
99.08092	3.3
105.04498	1.0
105.07028	10.2
105.66370	0.8
106.06531	4.8
107.04983	7.4
107.07864	1.3
107.08591	25.9
109.06522	5.8
109.10149	4.1
111.04478	1.1
111.08082	6.8
117.03380	4.9
117.07014	12.5
119.08566	2.9
121.06474	5.1
121.10140	11.7
122.92290	0.8
123.04465	1.1
123.08071	1.7
125.06004	1.4
125.60644	0.9
129.07072	1.2
131.08565	13.8
133.10115	19.1
134.03517	1.0
135.04430	3.8
135.08064	7.4
135.11684	41.4
145.02827	7.0
148.97310	2.4
149.01299	0.9
149.05989	3.3
149.09592	1.6
149.13248	29.2
149.97192	1.5
151.11163	5.5
159.11681	28.0
163.03928	3.5
165.06902	1.1
167.14276	1.4
171.63832	0.9
177.05475	7.5
177.09140	1.9
177.12747	20.2
177.16364	1.1
195.02904	3.0
195.06503	2.4
195.08694	1.3
195.11845	2.0
195.13794	25.6
195.17482	1.3
196.09782	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.86752	0.8
53.03936	3.7
54.17611	0.8
55.01862	4.1
55.05510	13.0
56.96567	9.8
57.03436	4.4
57.07074	2.3
65.03925	3.7
65.64454	0.9
66.17932	0.9
67.05500	55.3
68.05028	1.9
69.03410	2.0
69.07065	16.6
71.01345	2.6
71.04990	6.7
71.11544	1.6
71.95255	3.2
73.02912	2.7
77.03906	1.1
79.05489	41.8
80.05804	1.1
81.03419	8.2
81.07054	100.0
82.07358	1.0
83.04984	13.7
83.08611	8.8
84.08157	1.0
85.02868	1.1
85.06546	4.8
89.06030	2.8
91.05475	24.4
93.07043	61.7
94.07360	1.1
95.04974	10.2
95.08606	37.4
96.04494	3.2
97.06528	16.7
97.10146	1.4
97.99207	1.1
99.04443	1.7
99.08076	2.8
101.06013	1.0
103.05450	3.2
105.07013	11.4
105.57706	0.9
106.06552	12.6
106.07272	1.6
107.04957	6.7
107.08589	28.6
108.08099	1.7
109.06539	4.7
109.10144	4.2
111.04457	1.9
111.08075	7.6
113.06027	1.5
113.09628	2.1
117.03348	1.9
117.07007	10.5
119.08548	3.0
121.06522	6.4
121.10121	6.9
122.06034	1.5
123.08070	2.0
123.11637	1.1
125.06021	1.3
130.96300	1.0
131.08560	12.3
131.75529	1.1
131.96175	1.4
132.04465	1.1
133.10135	15.3
135.04399	2.6
135.08057	5.0
135.10670	2.1
135.11684	36.2
136.58119	1.1
137.09668	1.2
138.06635	2.9
139.07529	1.6
139.11139	1.8
145.02831	1.7
145.58511	2.2
147.11638	1.2
148.97366	3.9
149.01201	1.7
149.05956	3.2
149.07089	1.9
149.09596	2.8
149.13240	23.6
149.97215	4.4
150.05524	1.6
151.11119	2.3
151.58597	1.0
152.06151	1.2
153.09193	1.5
159.11682	21.1
160.59045	1.0
163.03876	4.8
165.06960	1.0
167.07074	1.3
167.08557	1.7
171.98909	2.4
172.98738	2.3
177.05504	5.3
177.09111	1.3
177.12747	17.4
180.09373	1.1
195.02908	5.7
195.08627	2.8
195.11734	2.7
195.13786	18.2
195.15678	2.3
196.06018	1.4
196.16992	1.8
213.07971	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03940	2.3
55.01865	2.5
55.05508	7.1
56.96561	0.8
57.03421	1.9
57.07067	0.8
62.36758	0.6
65.03941	2.1
67.05500	42.3
69.03423	1.2
69.07062	10.0
70.02904	4.5
71.04983	6.1
73.02905	1.6
79.05488	31.4
81.03426	1.9
81.07051	100.0
83.04983	2.7
83.08627	3.5
84.04482	0.8
85.02883	1.2
85.06533	3.7
87.04475	1.2
89.03912	3.5
89.06020	1.1
91.05471	15.9
93.07037	52.4
95.04957	5.5
95.08603	49.4
96.04507	1.3
96.08935	1.0
97.06517	9.0
99.08104	2.1
105.07024	8.2
106.06539	4.0
107.04960	5.4
107.08587	23.2
109.06519	3.3
109.10160	2.8
111.04483	1.2
111.08084	5.5
113.05985	0.9
117.03373	7.1
117.07013	6.1
119.06133	0.8
119.08586	2.1
121.06484	4.8
121.10150	7.4
123.08051	1.0
123.11770	0.9
125.05994	1.2
129.06999	0.8
131.08575	7.9
133.10115	12.0
134.03592	0.9
135.04428	2.8
135.08054	5.9
135.11682	46.6
136.11978	0.8
137.06059	0.9
138.06580	1.3
139.07564	1.7
145.02850	12.5
148.97414	1.7
149.05971	4.5
149.07042	1.1
149.09613	3.3
149.13245	17.7
149.97270	0.7
151.11206	1.0
152.06271	1.0
153.05463	1.5
153.09087	1.0
159.11682	17.0
163.03882	4.3
165.06982	0.8
167.07126	1.4
167.08611	0.9
177.05452	15.8
177.06844	1.1
177.09151	1.2
177.12741	23.3
177.14223	1.6
177.16389	1.0
178.13039	1.1
180.09416	0.7
195.02995	2.1
195.06517	1.2
195.08173	2.2
195.10173	1.8
195.11890	1.5
195.13791	13.4
195.15457	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.66825	1.0
53.03932	3.8
54.29988	1.2
55.01872	7.8
55.05510	21.8
55.51043	1.1
56.96566	15.2
57.03438	6.1
57.07068	3.2
65.03929	3.9
67.05501	60.8
68.05060	2.1
68.05837	1.3
69.03413	3.0
69.07067	20.1
70.94253	1.2
71.01342	3.0
71.04991	8.0
71.59760	1.5
71.60147	1.2
71.95235	2.3
73.02910	2.3
77.03905	1.4
78.42439	1.0
79.05488	50.9
80.05035	1.8
81.03412	17.7
81.07052	100.0
82.07360	1.2
83.04976	13.0
83.08617	11.1
84.08153	1.8
85.02895	2.1
85.06524	3.8
89.03932	2.6
89.06017	3.9
89.93126	1.0
91.05473	42.7
92.05778	1.1
93.07039	61.6
94.06544	1.2
95.04964	9.9
95.08602	40.4
96.04477	4.0
97.06528	13.9
99.08102	1.9
103.05451	3.3
105.07028	19.5
106.06538	13.8
107.04965	10.3
107.08588	28.4
109.06501	5.1
109.10120	5.7
111.04397	1.8
111.08064	4.8
117.03388	3.1
117.07015	15.3
119.08571	4.7
121.06486	6.5
121.10133	10.8
123.04417	1.4
123.08041	1.9
123.11709	2.5
125.05978	1.7
125.09666	1.9
130.96260	1.3
131.08562	12.9
131.96181	1.6
133.06493	1.5
133.10126	24.4
134.03625	1.3
135.04384	2.8
135.07039	1.2
135.08051	4.9
135.11685	32.6
136.07497	1.4
137.09630	1.6
138.06601	4.5
145.02850	4.2
148.24936	1.2
148.97406	5.4
149.01239	2.0
149.02380	1.5
149.05946	3.0
149.07014	2.2
149.09601	3.0
149.13252	18.3
149.97183	4.4
150.05511	2.3
151.11201	4.6
152.05972	2.8
153.09099	2.0
153.97873	2.1
156.35027	1.3
159.11691	15.4
163.03902	10.4
163.56725	1.4
165.07011	2.6
167.08530	2.3
171.98924	3.2
172.98810	3.2
177.05434	6.3
177.09160	2.8
177.12724	13.9
180.09323	2.5
183.11461	1.4
195.02899	7.1
195.06444	2.2
195.08420	3.4
195.10196	2.6
195.11722	5.9
195.13799	18.8
195.15486	1.8
196.05963	1.5
196.17027	2.0
213.07982	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	1alpha-Hydroxyisoondetianone
Peak:m/z	Relative Intensity
53.03934	1.7
55.01870	8.6
55.05510	7.3
56.96561	16.1
57.03422	2.3
57.07074	2.2
60.62943	0.8
65.03927	2.1
66.36189	0.7
67.05170	1.0
67.05503	14.9
68.05024	1.9
68.15088	0.7
68.96330	1.1
69.03421	2.2
69.07066	6.5
70.42969	0.8
70.43314	2.3
71.01324	1.3
71.04990	3.9
71.94125	0.8
71.95261	2.5
72.08147	1.8
73.02916	47.1
77.03927	1.0
79.05490	43.4
81.03407	4.3
81.07054	21.7
82.07390	0.8
83.04976	11.7
83.08604	2.4
85.06551	2.0
89.03907	1.2
89.06033	2.6
91.03944	2.8
91.05480	22.3
93.07042	28.8
95.04974	7.8
95.08601	14.0
96.04498	3.5
97.06521	4.2
101.06024	4.7
103.05480	1.6
104.05021	0.8
105.04530	0.9
105.07028	21.0
106.06555	9.5
106.07287	1.4
107.04950	15.0
107.08590	100.0
108.05758	1.3
108.08922	1.3
109.06509	8.4
109.10166	6.0
111.04433	0.9
111.08096	2.4
115.05505	1.0
117.03417	1.0
117.07011	10.4
118.03523	1.0
119.06084	1.2
119.08565	5.8
121.06484	6.0
121.10133	8.5
121.35268	0.7
122.06004	1.0
122.07290	0.9
123.08073	2.1
123.11702	5.7
124.05345	0.8
125.05975	1.4
125.09610	0.8
129.07021	1.5
130.07851	1.0
130.96317	1.4
131.08563	17.9
133.02815	1.0
133.10127	23.1
133.11081	1.6
135.04404	3.0
135.08060	4.6
135.11671	9.2
137.05930	1.4
137.09621	1.3
138.06628	1.5
139.07536	1.6
144.09340	2.1
144.57108	0.7
145.02847	2.1
147.11691	2.5
148.97337	2.8
149.01256	1.2
149.05974	1.4
149.07062	1.4
149.09622	18.5
149.13269	5.0
149.97180	4.9
150.05486	1.2
151.11229	1.1
153.09088	1.5
153.90787	0.8
155.03824	1.1
159.11693	19.2
163.03886	3.1
165.06993	3.0
167.08542	1.6
167.10742	0.8
171.98926	2.7
172.98792	2.5
177.05447	4.3
177.09087	1.0
177.12747	26.7
179.08528	1.0
180.09361	2.9
195.02878	5.4
195.06512	1.3
195.08728	1.4
195.10252	1.4
195.11688	4.3
195.13803	16.3
195.15709	2.4
196.06134	0.8
196.16933	1.6
213.08041	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03946	0.7
54.21654	0.3
55.01868	0.9
55.05505	1.9
55.31878	0.3
56.05025	0.6
56.91765	0.3
56.96560	2.9
57.03426	1.0
57.07063	0.7
59.85410	0.3
62.14527	0.4
63.02380	0.7
65.03945	1.3
67.05502	1.5
68.05016	0.8
68.96326	1.1
69.03430	1.3
69.07069	1.1
69.68592	2.1
70.06586	0.4
70.94266	0.4
71.04985	1.1
73.02905	0.4
77.03938	0.3
78.04714	0.9
79.05492	3.8
81.03414	1.0
81.07049	4.1
82.07355	0.4
83.04994	1.0
83.06077	0.5
83.08625	0.3
84.08140	0.6
85.02901	1.0
85.06529	0.5
86.09721	0.3
89.03911	24.1
89.06030	1.5
91.05474	4.9
91.79138	0.3
93.03406	0.9
93.07040	4.0
95.04980	2.8
95.06062	0.5
95.08617	1.5
96.04501	0.4
97.02890	0.8
97.06555	1.7
98.21470	0.7
98.97574	1.9
103.05463	1.5
105.07014	1.5
106.04174	1.3
106.06554	2.2
107.04951	2.4
107.06030	0.3
107.07049	0.4
107.08604	2.4
109.06492	1.0
109.07632	0.5
109.10162	0.7
109.98973	0.4
110.07124	0.5
111.04431	1.8
111.05575	0.7
111.08095	0.7
116.06208	0.4
116.98650	2.0
117.03374	41.7
119.01907	0.8
119.04926	0.9
119.08584	0.6
120.05608	0.4
121.02819	0.4
121.06509	1.9
121.10139	1.2
122.07163	0.4
123.04417	0.4
123.08054	0.9
124.05171	0.7
125.05989	1.3
127.99987	0.6
128.02315	0.4
128.98555	0.4
130.96284	0.9
131.04921	0.6
131.08534	0.9
133.06505	0.5
133.10112	0.6
134.03639	7.4
134.99652	1.5
135.04417	10.8
135.08066	1.1
135.11691	0.9
137.05969	0.6
137.09621	0.7
138.06630	0.9
139.03911	0.5
139.07541	0.5
145.02837	83.0
146.03185	1.0
146.99670	0.5
147.04343	0.4
148.97366	3.1
149.05974	22.9
149.09630	1.4
149.13277	0.4
149.97166	0.6
150.06578	0.5
151.03860	0.4
151.11153	0.4
153.01762	0.4
153.05443	3.9
153.97887	1.3
158.06079	0.6
158.99611	0.6
159.11670	0.4
162.03087	2.1
162.05461	0.3
163.03903	9.8
167.03416	0.5
167.07082	0.4
167.92911	0.3
171.98962	2.1
177.05457	100.0
178.05873	0.4
186.05487	1.5
195.01234	0.6
195.02884	2.9
195.04506	0.5
195.06441	2.0
195.08603	1.2
195.10175	0.6
195.12312	0.6
195.13805	0.9
195.15477	0.3
209.83949	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03945	0.8
55.01866	1.4
55.05492	2.0
56.05024	0.9
56.96561	3.0
57.03414	1.0
63.02366	0.8
65.03934	1.4
67.05484	2.3
68.05010	1.8
68.96309	0.8
69.03419	1.9
69.04548	3.0
69.07043	1.8
70.94240	0.8
71.03678	0.8
71.04028	1.2
71.04977	1.3
71.13146	0.5
73.02896	1.0
77.03948	0.6
78.04695	1.5
79.05484	5.3
80.04979	0.8
81.03402	1.8
81.04532	0.7
81.07040	4.5
82.02882	0.6
82.06567	0.6
83.04951	1.1
83.06081	2.6
84.04478	0.9
84.08133	1.1
85.02886	0.9
85.06503	0.6
89.03911	27.0
89.06010	2.1
91.05482	5.7
91.74729	0.6
93.07040	5.0
95.04965	3.3
95.08608	1.8
96.04492	1.2
97.02882	1.9
97.04016	0.6
97.06534	1.3
98.97565	1.7
103.05443	1.6
105.07018	1.5
106.04157	2.1
106.06546	4.7
107.04935	3.8
107.08588	3.2
109.03994	1.1
109.06501	1.3
109.07597	0.6
109.10121	1.0
109.98943	1.1
110.07166	7.4
111.04427	2.3
111.05537	0.9
111.08074	0.8
116.98668	1.2
117.03368	47.8
117.06982	0.9
118.03609	0.6
119.01917	1.0
119.04978	0.8
119.08585	0.9
121.02807	0.8
121.06481	2.8
121.07568	0.6
121.10139	1.9
122.07125	0.7
123.04340	1.1
123.08058	2.3
124.05189	1.5
125.06004	1.6
130.96355	0.7
131.04855	0.6
131.08549	1.4
133.10136	0.9
134.03615	8.5
134.99599	0.8
135.04404	12.0
135.08031	2.0
135.11659	1.5
137.05940	0.8
137.09650	0.9
138.06612	45.5
141.34232	0.5
142.46802	0.5
145.02831	83.5
146.03223	1.4
148.97350	3.4
149.05974	23.1
149.06969	0.9
149.09581	1.1
149.13205	0.9
149.97150	0.6
150.09099	0.6
151.03941	1.0
151.07466	0.7
151.11194	1.0
153.05444	8.0
153.97899	1.3
158.99649	0.6
159.11603	0.9
161.02875	0.6
162.03117	2.2
163.03886	10.7
171.98955	2.0
177.05455	100.0
177.12605	2.8
178.05815	1.0
186.05551	1.9
195.01221	0.8
195.02899	3.3
195.08766	60.9
195.13789	1.7
195.15771	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
52.85027	0.4
53.03936	1.3
55.01860	2.1
55.05499	2.0
56.96558	2.5
57.03435	2.4
57.07065	0.8
58.04368	0.5
59.04995	0.5
63.02386	0.8
65.03938	2.5
67.01861	2.6
67.05491	4.7
68.05020	1.1
68.96304	0.5
68.99785	1.9
69.03426	4.0
69.04517	0.5
69.07053	2.2
69.66008	0.8
69.66415	2.4
70.06587	0.6
71.04981	2.8
71.95284	0.5
73.02911	0.7
77.03913	0.7
78.04704	1.1
79.05488	8.5
79.40679	0.4
81.03421	2.2
81.07054	4.7
83.04989	1.6
84.08149	0.8
85.02897	1.1
85.06535	0.7
89.03911	23.2
89.06020	1.1
90.00399	0.4
91.05476	8.1
93.03405	0.7
93.07035	10.2
94.06588	0.4
95.04972	4.6
95.08599	5.0
96.04478	0.9
97.02882	1.5
97.06532	2.5
97.07686	0.7
97.10077	0.4
97.33410	0.6
98.21510	0.5
98.97565	5.9
99.08070	0.8
103.05450	2.0
105.03383	0.7
105.07021	4.4
106.04189	2.2
106.06541	2.9
107.04954	5.2
107.08579	5.7
109.06509	1.8
109.10121	1.5
109.98965	0.6
110.07162	0.6
111.04430	3.8
111.05585	0.8
111.08089	1.2
116.98613	4.5
117.03371	41.3
117.07001	0.8
119.04960	0.5
119.08616	1.0
121.02869	2.5
121.06514	4.0
121.10121	1.7
122.07153	0.5
123.04449	1.0
123.08064	3.4
124.05232	1.2
125.02328	0.4
125.05994	4.0
125.09668	0.5
130.96283	1.0
131.08557	1.4
133.02852	0.5
133.10120	1.4
134.03625	7.8
134.99646	3.4
135.04410	10.5
135.05411	0.7
135.08049	3.1
135.11667	2.7
137.05998	0.8
137.09612	0.9
138.06606	2.6
139.03918	1.3
145.02834	82.2
146.03168	1.3
148.97380	2.6
149.01317	0.7
149.02296	2.4
149.05969	22.0
149.09584	2.4
149.13219	0.9
151.03864	0.7
151.11182	0.9
153.01817	38.4
153.05452	5.0
153.09081	0.5
153.12730	0.5
153.97878	0.8
158.99644	2.2
159.11665	1.1
162.03090	2.2
163.03893	14.2
163.07556	1.0
165.06888	0.7
167.07040	0.9
171.02876	10.2
171.98996	1.5
177.00658	4.6
177.05457	100.0
177.12721	4.1
178.05914	0.7
186.05504	1.8
195.01234	0.6
195.02876	5.8
195.06505	9.8
195.08597	2.6
195.10057	2.1
195.12067	1.0
195.13780	2.5
195.15573	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03943	1.0
55.01862	2.6
55.05507	3.6
56.96563	10.0
57.03429	3.1
57.07072	1.0
60.04523	0.6
61.02905	1.2
63.02396	0.7
65.03939	2.5
67.05508	5.2
68.05022	1.6
68.96323	1.3
68.99773	0.7
69.03418	4.2
69.07066	3.3
70.06585	1.1
71.01353	0.8
71.04985	3.6
71.59121	0.7
71.95313	0.5
73.02905	1.7
73.47246	0.5
74.86360	0.5
74.97604	0.6
78.04693	1.5
79.05486	8.2
80.05001	0.5
81.03413	2.4
81.04530	0.6
81.07051	8.3
82.06539	1.0
82.07383	0.9
83.01353	0.6
83.04968	2.4
83.06085	0.6
83.08617	1.1
84.08146	0.8
84.95986	0.6
85.02912	3.8
85.06532	1.4
87.04453	0.7
89.03911	24.6
89.06010	2.0
91.05472	7.1
93.03413	1.0
93.07040	10.3
95.04957	4.8
95.08604	3.5
96.04466	0.6
96.06902	0.5
97.02870	4.3
97.06509	2.9
98.03155	1.0
98.97581	5.8
103.05478	3.0
105.03384	0.7
105.07018	3.9
106.04175	2.2
106.06560	6.1
106.07284	1.1
107.04955	6.1
107.08575	5.9
109.02880	0.7
109.06515	2.7
109.10157	1.6
109.98933	1.3
110.07150	1.4
110.97620	0.6
111.04437	3.4
111.08084	1.7
115.05436	1.0
116.98612	5.1
117.03374	47.8
117.07025	1.2
119.01872	0.9
119.04935	0.7
119.08587	1.5
121.01063	0.5
121.06486	4.4
121.10124	2.8
122.05997	0.6
123.04427	0.7
123.05661	0.7
123.08045	2.9
123.11719	1.1
124.05176	0.8
125.05979	2.4
125.09602	0.7
127.03839	0.7
128.02339	0.8
128.98601	1.3
130.96291	0.9
131.04890	0.9
131.08562	2.0
133.10124	1.7
134.03622	6.4
134.99649	4.4
135.04407	12.3
135.08022	3.8
135.11682	2.7
136.06364	0.8
136.08714	0.6
137.05960	1.1
137.09602	1.4
138.06595	2.2
139.03888	1.0
139.07526	1.2
142.06514	0.5
143.00142	0.8
145.02834	88.0
146.99675	1.4
147.03313	0.9
147.04440	0.7
148.97348	3.3
149.02296	0.6
149.05972	24.2
149.07031	1.1
149.09642	3.4
149.13194	1.1
149.97209	1.1
150.06258	1.2
151.11125	0.9
153.00705	0.8
153.01854	1.7
153.05495	4.1
153.06628	0.9
153.09084	0.6
153.97961	0.7
155.03764	1.1
158.05994	0.9
158.99664	1.7
159.11665	1.6
161.01183	1.2
162.03128	2.1
162.99109	0.6
163.02556	0.9
163.03879	12.2
165.06810	1.3
167.03368	1.0
167.07028	1.0
171.98975	2.1
173.04863	2.1
177.00710	3.7
177.05457	100.0
177.12700	3.3
178.05856	1.0
178.11868	0.5
180.07219	1.2
186.05481	1.9
186.07240	4.3
186.57404	0.6
189.04477	1.0
191.05849	0.5
195.01248	0.8
195.02917	6.8
195.06398	2.0
195.07748	9.7
195.10175	1.8
195.12180	0.5
195.13719	2.6
195.57887	1.6
197.08560	0.8
206.58536	1.6
209.08452	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1176
Annotation	Winterstein's acid
Peak:m/z	Relative Intensity
53.03933	0.5
55.01874	0.6
55.05511	1.4
56.05034	0.6
56.96562	4.7
57.07065	0.4
57.14460	0.3
59.35877	0.3
65.03918	0.4
67.05502	1.4
68.05033	0.6
68.96319	0.5
68.99790	0.3
69.03421	1.1
70.06597	0.4
70.41376	1.0
71.04994	0.5
73.02928	0.4
73.83710	0.3
77.03867	0.3
79.05488	2.1
80.05005	0.9
81.03395	0.7
81.07038	1.9
82.06548	0.6
83.04969	0.8
83.08597	0.3
84.04501	0.4
84.08137	0.9
84.96014	0.4
85.02913	1.0
85.14392	0.3
89.03891	0.7
91.05481	2.2
93.05763	0.6
93.07039	1.2
94.06560	1.7
95.04971	1.1
95.06087	0.4
95.08594	0.4
96.04488	0.5
96.19311	0.3
97.02879	0.7
98.06076	0.4
98.07127	0.3
98.97556	1.9
101.49835	0.4
103.05454	0.3
105.07016	0.8
106.04125	0.3
106.06543	1.9
106.07309	0.7
107.04939	1.3
107.07324	1.3
107.08566	0.9
108.04469	0.8
109.06496	0.7
109.07608	0.3
110.06047	0.7
110.07111	0.3
110.09682	0.3
111.04419	0.5
113.05896	0.3
116.98631	1.4
117.03371	1.4
118.06532	1.2
119.01910	0.4
119.07348	0.4
120.08091	0.8
120.08868	0.4
121.02862	0.3
121.06538	0.6
122.06033	1.0
123.06786	1.6
124.07596	0.7
125.88129	0.3
127.07633	0.4
127.99963	0.4
128.98575	0.4
129.06989	0.3
130.06491	0.4
130.96278	0.3
131.00269	0.3
131.07330	0.6
131.08545	1.2
132.08076	27.0
133.08861	13.0
133.09914	0.7
134.05922	0.6
134.06850	0.6
134.99651	1.4
135.04424	0.6
135.06708	0.5
135.07959	0.4
136.07538	1.0
137.02859	0.4
138.05466	0.4
138.06497	0.4
143.07271	0.3
144.08043	0.8
145.01711	0.5
145.02809	2.9
145.08871	0.4
146.09613	3.0
146.99660	0.7
147.06718	0.7
147.10431	3.9
148.11194	100.0
148.97328	0.7
149.06027	1.6
149.06984	0.4
149.11534	2.1
152.07092	0.8
158.09613	1.4
158.99602	0.5
161.01183	0.7
161.04587	0.4
162.09129	6.6
163.03886	1.2
163.09906	9.6
164.10727	2.2
165.11514	1.8
166.08539	0.6
166.12300	2.5
170.99603	0.4
176.10698	2.8
177.00624	0.9
177.05467	3.3
179.03136	0.4
188.92430	0.7
189.00699	0.9
194.05504	2.9
194.11748	76.2
194.15332	4.1
195.02863	1.0
195.12053	1.3
207.01718	0.5
208.56177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1176
Annotation	CHEBI:77433
Peak:m/z	Relative Intensity
53.03949	0.8
53.82167	0.2
55.01886	0.9
55.05506	0.8
56.96566	6.8
59.05009	0.4
65.03940	3.6
67.05511	1.9
68.05026	1.1
69.03432	0.5
69.07075	2.5
70.63377	0.7
70.63757	0.2
71.01337	0.2
71.95266	0.8
73.02927	1.7
73.06567	1.2
78.03457	0.3
79.05511	1.2
80.05016	10.3
81.03459	0.3
81.05817	0.2
81.07063	0.7
82.06582	4.5
83.05000	0.6
87.04480	0.3
91.05495	0.6
92.05006	8.9
93.05788	15.6
93.07047	0.7
94.06569	14.6
95.04964	0.9
95.08600	0.3
96.04501	2.0
96.08150	0.3
97.06572	0.3
103.05511	0.3
104.05815	0.3
105.07041	0.9
106.06564	1.4
106.07373	2.2
107.04958	0.6
107.08609	0.3
108.04474	0.5
108.08074	0.4
109.05290	0.3
109.10197	0.2
110.06041	16.7
111.06360	0.3
116.05759	0.4
120.04470	5.0
120.08123	0.3
122.09635	0.4
123.06812	0.7
124.07578	0.4
128.98616	0.3
131.08566	0.3
133.06488	0.4
133.08891	0.3
134.06018	0.2
134.06847	1.9
135.11676	0.3
136.07542	0.3
138.05501	100.0
139.05832	0.8
145.02917	0.3
146.99626	0.5
148.07581	0.8
148.11186	3.0
148.97356	0.3
149.05971	0.3
152.07068	0.2
161.01234	0.4
162.05246	0.5
162.06511	1.8
163.03862	0.4
166.08685	0.8
166.12288	3.8
171.03294	2.0
176.07030	0.2
177.05441	0.5
189.00684	0.2
189.04341	7.9
189.07935	0.4
194.05380	1.4
194.07848	1.1
194.11763	18.9
194.15405	4.0
195.02869	0.5
195.12044	0.3
207.05379	2.4
212.05936	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01875	1.3
55.05494	2.1
56.96564	4.4
57.07071	0.7
65.03942	3.9
67.05521	2.9
68.05024	1.1
68.99782	1.2
69.03416	1.1
69.07071	3.4
71.04983	0.7
71.59100	0.9
72.08115	0.8
73.02901	1.9
73.06542	1.5
74.90599	0.5
79.05489	4.7
80.05024	11.7
80.05785	0.8
81.03410	2.0
81.07037	3.0
82.06594	4.0
83.04977	1.4
83.08603	0.9
89.03917	2.0
91.05482	2.0
92.05008	8.9
92.05566	0.9
92.05814	0.7
93.05787	17.8
93.07046	3.5
94.06575	11.8
95.04961	2.8
95.08595	2.3
96.04494	5.9
96.05268	0.8
96.08122	0.9
96.08987	0.8
97.06529	1.0
103.05457	1.0
104.05769	0.9
105.07049	3.4
106.06570	3.0
106.07361	6.3
107.04939	3.8
107.08589	2.0
108.04472	1.0
108.08971	0.7
109.06456	0.7
109.10164	1.0
110.06050	17.6
110.10448	1.1
111.04425	0.8
115.05473	0.8
116.05844	1.2
117.03353	2.9
119.01778	1.2
119.08594	0.8
120.04481	4.5
120.08063	1.3
120.08902	1.5
121.06486	1.1
121.10181	1.3
123.06812	1.2
126.05552	0.7
131.08600	1.1
133.06511	1.0
133.10217	0.6
134.05937	1.0
134.06824	5.2
134.10466	2.1
134.99608	0.8
135.04424	2.3
135.11635	0.9
136.07640	0.7
136.08694	0.7
136.12045	1.0
138.05504	100.0
139.03943	0.7
139.05913	0.9
145.02856	7.2
148.04803	0.7
148.07610	1.8
148.97401	1.1
149.06006	3.6
152.07042	6.9
153.09137	1.5
159.11693	0.7
161.01225	1.4
161.06042	0.8
162.06355	6.6
163.03952	3.2
166.08646	3.1
166.12291	3.9
167.07051	1.0
176.07079	1.5
176.15247	0.8
177.05504	7.3
177.16354	0.8
179.03117	0.8
179.08372	1.1
194.05336	21.3
194.08238	4.0
194.11757	18.2
194.15355	9.0
195.02927	1.8
195.06619	1.1
195.11746	0.7
197.97728	0.6
200.88773	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03930	1.5
55.01872	1.2
55.05508	8.9
56.96554	1.4
57.07063	4.0
59.04994	2.0
65.03923	1.4
66.99380	0.8
67.05508	12.0
69.03420	1.4
69.07069	24.9
70.04244	3.5
71.04990	15.0
75.23856	0.8
76.13261	0.9
79.05488	7.5
81.03412	1.7
81.07056	21.7
83.04993	2.1
83.08616	4.7
85.06547	13.9
91.05485	7.6
93.06464	1.8
93.07042	27.5
95.04971	34.3
95.08605	20.1
97.06506	4.0
97.10168	8.6
99.08075	3.9
103.05481	1.0
105.07040	14.6
107.07866	1.3
107.08592	34.5
109.06519	100.0
109.10157	14.2
110.06832	1.8
111.08117	4.5
111.11704	2.2
115.05426	1.0
117.06998	0.9
119.08581	26.4
121.06503	1.3
121.10139	8.0
123.08078	5.9
123.11699	18.2
127.05649	0.9
128.98639	1.0
133.02867	1.5
133.06485	3.4
133.09125	1.3
133.10133	22.7
135.11688	32.2
135.12704	1.8
137.05965	2.1
137.09615	13.1
144.60019	0.8
146.97459	2.2
146.99643	1.4
147.04416	1.0
147.11726	4.8
148.07558	1.2
149.02367	1.7
149.13263	7.8
151.11217	7.2
151.14825	1.0
159.31503	0.9
161.05936	2.4
175.14821	35.4
176.07164	0.9
176.15225	1.0
178.02629	3.8
193.04950	23.1
193.06723	1.4
193.10062	1.6
193.12219	3.6
193.15872	56.6
194.05251	1.2
194.15440	1.3
200.80496	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03935	3.3
53.88118	1.0
55.01876	7.2
55.05257	1.7
55.05507	21.5
56.96560	5.3
57.03424	3.6
57.07079	5.6
59.04990	2.5
65.03912	2.6
67.01863	2.4
67.05164	2.0
67.05499	28.1
69.03427	7.2
69.07064	36.6
70.95081	2.2
70.95425	2.1
71.04982	7.6
71.08625	1.2
79.05055	2.3
79.05485	29.2
81.03412	39.7
81.07055	41.4
81.40000	1.2
83.04977	12.0
83.08614	15.9
85.02901	2.1
85.06546	6.3
85.13191	1.1
87.04441	1.1
90.04688	1.1
91.05467	28.1
93.07039	32.1
94.93369	1.1
95.04963	27.6
95.08603	40.8
97.06532	16.8
97.10158	3.7
98.97604	1.3
99.04412	1.6
99.08111	5.3
103.05453	9.7
105.03373	1.7
105.07024	100.0
106.07291	2.2
107.04950	4.3
107.08591	45.2
109.02859	1.2
109.05785	2.1
109.06516	38.2
109.10151	54.5
111.04426	1.4
111.08087	9.2
111.11703	4.8
113.02217	1.1
114.76522	1.1
115.05438	14.4
116.98666	1.3
117.06988	4.0
118.04157	7.6
119.04894	1.8
119.08574	53.0
120.08846	1.1
121.06493	2.7
121.10130	22.3
123.04395	2.0
123.08063	43.4
123.11693	12.1
125.05946	2.6
125.09609	2.6
128.98628	1.6
129.06972	3.3
131.04935	1.6
131.08530	5.6
132.87289	1.2
133.02879	7.3
133.06485	62.1
133.10118	71.6
134.06825	2.7
134.10405	1.8
135.08080	6.2
135.11685	65.6
136.12045	1.4
137.05975	5.7
137.09607	26.2
138.10425	2.2
142.07788	1.8
143.06050	4.3
144.56923	1.1
145.10095	3.7
146.97379	2.8
146.99632	3.4
147.04405	3.7
147.08054	2.6
147.11678	26.0
148.07567	1.8
149.01190	1.7
149.02286	3.2
149.05981	1.4
149.09636	2.6
149.13261	6.7
150.03148	1.7
151.03903	1.9
151.07549	2.5
151.11182	6.2
151.14801	4.0
152.06995	1.8
153.01781	1.9
157.10127	4.3
160.05075	1.8
161.05969	51.2
162.06424	1.2
165.05469	2.5
165.12758	6.0
165.16319	1.3
166.08554	1.8
169.04974	1.7
173.22021	1.1
175.03798	1.2
175.11206	9.0
175.14803	54.6
178.02605	9.3
178.07727	2.0
193.04950	93.2
193.08572	18.6
193.10248	2.6
193.12196	16.0
193.15863	78.4
194.05322	3.1
194.15486	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03937	0.6
55.01858	1.5
55.05501	4.1
56.96556	0.7
57.03422	1.0
57.07056	1.6
59.04984	0.9
61.88919	0.6
65.03913	1.1
67.01863	2.8
67.05505	4.6
68.99783	1.1
69.03438	1.3
69.07059	4.7
70.26357	2.0
71.04974	2.3
77.03937	0.6
79.05488	5.5
81.03392	1.9
81.07057	7.3
83.04952	1.9
83.08613	2.3
85.02919	1.3
85.06519	1.8
90.41779	0.5
91.05478	5.8
92.04988	0.8
93.05789	0.9
93.07042	9.3
94.04174	0.5
94.35145	0.6
95.04960	4.1
95.08035	0.9
95.08603	11.6
97.06508	1.9
97.10164	0.7
99.08083	0.8
103.05448	3.0
105.03357	0.6
105.07019	22.1
106.07316	1.0
107.04932	0.7
107.08591	12.4
109.06524	4.0
109.10155	19.9
111.08083	4.4
115.05482	3.2
117.07064	0.7
118.04135	1.4
119.04903	1.1
119.08575	13.3
121.10133	5.9
123.04428	0.8
123.08068	10.7
123.11691	3.7
124.69930	0.6
125.06009	1.4
127.04006	0.8
131.08603	0.7
133.02834	0.8
133.05495	0.7
133.06488	13.0
133.10127	22.7
135.11687	23.1
136.11989	0.8
137.05963	1.1
137.09607	12.3
138.05463	2.7
138.10390	4.9
140.19470	0.6
145.10115	0.7
146.99651	0.7
147.04411	2.8
147.08061	0.7
147.11694	4.2
149.05948	0.5
149.13260	3.0
151.03841	1.5
151.11189	1.0
151.14862	0.6
153.01793	2.4
161.05983	11.9
165.05467	0.9
165.12735	3.5
169.04930	1.5
175.14816	21.0
176.15213	0.5
178.02617	2.2
193.04958	100.0
193.08534	5.8
193.12199	2.8
193.15872	25.1
194.05307	5.6
194.11740	0.6
205.36969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03929	2.5
55.01869	6.1
55.05302	0.8
55.05505	8.8
55.96785	0.8
56.96559	4.5
57.03421	3.5
57.07055	3.5
59.04986	2.5
61.02910	3.4
65.03925	2.2
67.05499	22.3
69.03081	1.5
69.03428	23.9
69.07067	5.3
69.86258	2.0
69.86668	2.5
71.04987	4.3
72.74319	0.8
79.05487	39.9
80.04997	0.8
81.03420	5.7
81.06576	1.7
81.07048	24.6
83.04981	5.8
83.08611	2.5
85.02882	3.4
85.06521	3.9
87.04461	27.7
91.05471	36.4
92.05784	0.9
93.07034	35.9
95.04958	15.0
95.08599	26.9
97.06506	3.7
98.07183	0.9
99.08076	1.6
101.06009	1.6
101.70501	0.8
103.04795	0.8
103.05463	12.3
105.07022	100.0
106.07339	1.0
107.04946	19.2
107.08585	19.5
109.02876	1.1
109.06506	6.1
109.10139	12.7
110.05973	1.0
111.04414	3.0
111.08086	3.7
113.06010	6.4
113.09634	1.1
115.05454	16.7
115.06246	1.0
117.07041	4.7
118.04159	7.9
119.04904	3.4
119.08569	28.5
121.06493	1.9
121.10146	6.3
123.04342	0.9
123.08040	3.6
123.11674	1.7
127.07561	1.2
128.06230	0.9
128.98601	2.7
129.06981	4.7
131.04903	2.8
131.08557	6.1
132.05664	1.0
133.02795	3.3
133.06485	62.0
133.10114	28.7
134.06844	0.9
135.08041	17.3
135.11665	5.8
137.05995	5.3
137.07909	1.3
137.09567	3.3
142.07800	2.1
143.04948	1.2
143.06029	3.2
144.90753	0.9
145.10112	1.7
146.97418	5.8
146.99635	6.4
147.04361	1.2
147.08023	2.8
147.11681	11.9
148.07515	1.0
149.02286	2.6
149.09644	1.8
149.13246	6.7
150.03119	1.5
151.03920	0.9
151.07538	1.4
151.11140	2.3
157.10086	2.1
161.05965	57.3
162.06348	1.0
164.08258	1.9
165.00714	1.5
165.05412	1.1
165.09074	1.8
165.12730	1.1
169.99004	2.9
170.02965	1.0
175.07529	0.8
175.11188	14.5
175.14804	23.3
178.02602	7.6
184.18666	1.1
189.00859	1.1
193.04953	36.2
193.08542	9.2
193.12210	39.8
193.15869	22.4
194.08136	2.0
201.20152	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0858
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
50.07777	0.2
51.02363	0.4
51.35654	0.3
53.03943	1.0
55.01867	3.0
55.05509	1.5
56.05018	0.4
56.96562	2.2
57.03424	1.8
57.07071	0.7
57.19045	0.2
59.05000	0.3
65.03940	0.9
66.04715	0.8
67.01859	3.3
67.05501	2.5
68.05027	0.3
68.99780	2.0
69.03406	1.4
69.06721	0.2
69.07050	1.2
70.06583	0.3
70.87017	0.5
71.04986	0.7
72.08136	0.3
73.02903	0.5
74.06917	0.2
76.44719	0.2
77.03920	0.5
79.05486	11.6
80.05013	0.3
81.03410	4.5
81.07054	2.9
83.01389	0.2
83.04986	1.2
83.06126	0.3
83.08613	0.6
84.08129	0.5
85.02899	3.1
85.07666	0.3
86.09715	0.3
87.04430	0.3
87.91563	0.2
89.03931	0.4
90.04678	0.5
91.01875	0.3
91.05476	7.1
93.07038	2.8
94.06569	0.3
95.04962	5.0
95.08620	1.4
97.02908	0.5
97.06530	0.6
98.97578	1.3
99.08100	0.2
100.11113	0.2
102.04653	0.5
103.05460	10.2
104.06274	0.6
105.03375	0.6
105.07021	60.3
106.06689	0.3
106.07349	1.4
107.04955	1.7
107.06075	0.5
107.08575	1.5
108.04440	0.3
109.02885	0.6
109.06506	1.7
109.07664	0.3
109.10141	1.3
110.21478	0.2
111.04408	0.4
111.09189	0.4
115.05447	13.4
116.98587	1.6
117.07018	0.7
118.04153	6.2
119.04974	1.2
119.08570	3.4
120.08166	0.3
121.06486	2.1
121.10142	0.7
122.03621	0.2
122.07095	0.3
123.04443	0.6
123.08059	1.0
123.11710	0.4
124.05228	0.3
125.05985	1.7
127.03905	1.0
128.98613	0.3
129.06996	0.9
130.06537	0.5
131.04912	2.2
131.08569	0.7
132.05695	1.3
133.02858	1.8
133.06479	51.9
133.10107	2.4
134.05957	0.3
134.06830	1.1
134.09676	0.4
134.99648	1.4
135.08032	0.8
137.05971	3.5
137.09604	1.5
140.05978	0.4
142.07802	0.3
143.04907	1.2
143.06036	3.2
143.07150	0.3
146.97408	0.8
146.99629	0.9
147.04410	3.0
147.06425	0.3
147.08028	0.9
147.11685	1.0
148.07536	0.9
148.08734	0.6
149.02266	0.3
149.05933	0.7
149.09601	0.8
150.03117	0.9
150.10275	0.3
151.03894	1.9
151.07582	0.3
151.11081	0.3
153.00694	0.4
153.01817	3.6
157.10095	0.5
158.09590	1.4
161.05966	52.3
162.06296	1.4
162.09178	0.4
162.11465	0.2
165.05453	1.7
165.09084	0.5
165.12660	0.3
169.04955	1.4
171.02902	0.5
175.03888	0.6
175.07426	0.4
175.11163	1.9
175.14799	0.4
176.10699	0.7
177.00682	1.0
178.02599	2.8
178.06142	0.3
188.02304	0.5
193.04947	100.0
193.08533	7.4
193.12045	3.3
193.15881	1.0
193.58086	0.3
194.05348	3.2
194.08107	0.4
194.11769	1.0
194.15460	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
50.01577	0.5
51.02380	0.5
53.03948	2.2
55.01871	5.1
55.05511	4.7
55.48580	0.5
56.96560	2.5
57.03433	1.8
57.07069	1.4
59.04995	0.6
65.03938	2.0
66.04716	0.8
67.01859	1.3
67.05502	10.2
68.94353	0.5
68.99789	1.2
69.03417	2.5
69.07056	3.0
69.48686	0.5
71.04987	1.1
71.59985	0.7
72.93768	0.7
73.02881	0.9
77.03919	0.9
79.05493	18.3
80.05014	0.5
80.47914	0.5
81.03416	24.3
81.07062	8.0
83.04979	3.9
83.08623	2.7
84.08157	0.7
85.02890	1.5
85.06535	1.0
86.15797	0.5
89.03901	0.6
90.04683	1.1
91.05479	17.3
93.07043	6.8
94.04202	0.6
94.06552	0.7
95.04965	13.6
95.08611	5.7
96.12187	0.5
97.02890	1.2
97.06512	1.4
98.97575	1.6
99.04473	0.6
99.08082	1.8
103.05458	14.5
104.06257	2.0
105.03407	3.4
105.07027	100.0
106.07343	1.2
107.04961	4.1
107.08595	4.8
109.06518	4.8
109.10157	5.0
111.04441	1.0
111.08037	0.9
115.05450	20.2
116.98635	1.5
117.07037	1.5
118.04152	10.0
118.06482	0.6
119.04931	1.7
119.08575	12.2
120.08094	0.7
121.06509	1.6
121.10149	3.9
122.03649	0.8
122.06002	1.6
123.04408	1.7
123.08056	2.6
123.11715	1.5
125.05975	0.7
128.06277	0.6
128.98610	0.9
129.07004	2.7
131.04971	3.6
131.08582	3.1
132.05760	2.5
133.02853	10.7
133.06490	82.1
133.10121	14.3
134.06895	1.8
134.99669	1.0
135.08037	1.5
135.11670	3.2
136.07581	0.7
137.05951	4.0
137.09592	3.4
138.05513	1.2
142.07773	1.1
143.04915	1.8
143.06041	5.6
145.10164	1.0
146.97438	2.7
146.99625	1.2
147.04405	3.3
147.08093	2.8
147.11687	7.7
148.07571	0.9
148.08656	0.7
149.02313	1.2
149.05974	1.8
149.09631	1.8
149.13269	0.6
150.03105	2.7
150.06715	0.9
151.03902	3.3
151.07552	1.3
151.11188	1.4
152.07079	1.0
157.10133	1.9
158.06363	1.4
158.56378	0.7
160.05150	1.0
161.02382	4.4
161.05978	80.2
162.06389	2.0
165.05475	3.8
165.09061	1.0
165.12709	1.4
169.99030	0.8
172.06029	1.1
175.03886	1.3
175.07532	0.9
175.11189	5.0
175.14856	4.4
177.00615	0.5
178.02592	8.4
178.06183	1.2
181.06540	2.9
181.56680	1.2
182.06812	1.0
189.00645	0.6
189.07948	0.6
190.07144	2.5
190.57220	0.7
191.07147	0.6
192.28862	0.5
192.57460	0.6
193.04956	45.4
193.08588	27.0
193.10468	1.0
193.12212	10.0
193.15881	4.2
194.05423	1.0
194.11899	1.1
194.15456	0.7
212.07600	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0496
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
53.03940	0.9
54.03491	0.4
55.01864	0.7
55.05508	1.4
56.05031	0.5
56.96563	3.9
57.03432	1.1
57.07072	2.1
59.89710	0.3
63.53558	0.3
63.76694	0.4
65.03944	0.7
67.01859	0.5
67.05506	1.8
68.05007	0.8
68.99803	1.7
69.03430	1.5
69.07072	0.5
70.06580	0.6
70.93506	0.9
73.02920	1.1
79.05481	3.0
81.03407	0.9
81.07056	3.4
82.06594	0.6
83.04985	1.1
83.06095	0.7
83.08601	0.9
83.96385	0.5
84.08150	0.8
85.02887	0.9
86.09723	0.4
87.05585	0.4
91.05479	6.0
93.07034	1.2
94.06535	0.5
95.04964	2.2
95.06068	0.5
95.08598	1.0
97.02901	1.1
97.06530	0.7
97.07632	0.6
98.94877	0.4
98.97566	1.4
103.05486	0.4
105.03396	0.8
105.07021	3.9
107.04948	1.0
107.08607	1.3
109.06502	3.9
109.07652	0.8
109.10149	1.1
110.01278	0.8
110.06026	0.4
111.04467	0.6
115.05442	0.6
116.98611	1.3
119.01792	0.9
119.04921	5.2
119.08588	2.2
121.06454	0.5
121.10165	0.9
122.03596	0.4
122.07083	0.7
123.04443	4.9
123.08073	0.9
123.11662	0.5
128.02325	2.3
128.98581	0.5
133.02823	3.4
133.06546	2.6
133.07404	0.5
133.10109	1.4
134.03587	0.5
134.99675	0.6
135.08066	0.7
135.11673	0.4
137.05963	7.6
137.09592	0.6
141.64189	0.4
146.97441	1.7
146.99608	1.1
147.04381	5.2
147.08041	1.2
147.11662	0.8
148.07491	0.7
148.08652	0.5
149.02339	0.5
150.03090	1.8
150.10310	0.8
150.96944	0.5
151.03957	0.7
151.07573	0.5
151.09892	0.4
151.11089	0.5
151.97272	0.5
152.08263	0.5
154.02118	0.5
161.01155	0.7
161.02374	0.9
161.05997	2.2
165.05464	100.0
166.05832	1.6
167.06999	0.7
169.99020	0.7
175.03844	1.1
175.07526	0.8
175.11195	1.2
175.14774	0.4
177.00726	0.7
178.02609	4.9
182.05119	1.0
193.04947	30.8
193.08524	1.8
193.10696	1.0
193.12256	4.2
193.14209	0.8
193.15884	1.5
194.05312	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0495
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
53.03931	0.1
55.01873	0.1
55.05506	0.2
55.90461	0.1
56.96547	0.1
57.07065	0.1
60.27358	0.1
67.01863	3.0
67.05512	0.2
68.99788	1.3
69.07056	0.2
70.24707	0.3
71.04964	0.2
77.03925	0.1
78.91859	0.1
79.05479	0.4
79.70552	0.1
81.03406	0.5
81.07052	0.4
85.02897	1.9
91.01836	0.3
91.05474	0.8
93.07030	0.4
95.04947	0.4
95.08598	0.4
98.20835	0.1
103.05468	0.4
105.07022	1.7
107.04922	0.1
107.08615	0.4
109.02876	0.5
109.06493	0.4
109.10126	0.6
111.08057	0.2
115.05454	0.5
118.04142	0.1
119.04964	0.5
119.08569	0.5
121.06519	0.1
121.10155	0.2
122.37692	0.1
123.04407	0.1
123.08031	0.2
123.11661	0.1
124.05188	0.2
125.02368	0.1
125.05991	1.5
127.03900	0.8
128.98636	0.1
133.02850	0.1
133.06485	1.4
133.10117	0.9
135.11688	0.9
137.05978	0.4
137.09631	0.3
141.92244	0.1
143.03377	0.1
146.97394	0.2
147.04407	2.1
147.11659	0.3
151.03893	1.2
153.01822	2.8
161.05954	1.2
162.33336	0.1
165.05481	0.3
169.04971	1.7
170.52783	0.1
171.02837	0.2
175.03870	0.4
175.11205	0.1
175.14815	0.7
178.02554	0.3
193.04948	100.0
193.15849	0.6
194.05293	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0494
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
51.02384	0.1
53.03946	0.3
55.01863	0.5
55.05507	0.8
56.96557	0.6
57.03426	0.6
57.07069	0.4
57.65721	0.1
65.03947	0.2
67.01866	2.9
67.05503	1.8
68.99783	1.8
69.03415	0.4
69.07062	0.3
69.76785	0.5
69.77200	0.2
71.04977	0.3
73.05624	0.1
77.03909	0.2
79.05487	1.8
81.02978	0.2
81.03419	3.2
81.07060	1.4
83.04963	0.4
83.08612	0.5
84.45013	0.1
85.02905	2.3
85.06550	0.2
91.01845	0.3
91.05482	2.8
93.07044	1.3
95.04970	2.0
95.08578	0.9
97.02874	0.2
97.06542	0.4
98.97536	0.2
99.08095	0.2
103.05477	0.8
105.03395	0.3
105.07028	5.8
107.01331	0.2
107.04952	0.6
107.08584	0.9
109.02873	0.5
109.06523	0.7
109.07603	0.2
109.10170	0.7
111.04457	0.3
114.63467	0.1
115.05469	1.0
116.98611	0.2
117.06997	0.3
118.04159	0.5
119.04926	0.5
119.08573	2.1
121.06533	0.5
121.10139	0.5
123.04414	0.5
123.08019	0.3
123.11721	0.2
124.05216	0.3
125.02350	0.2
125.05996	2.6
125.36380	0.1
127.03905	1.2
128.98607	0.3
129.06973	0.5
131.04967	0.3
131.08553	0.7
132.05698	0.2
133.02856	1.1
133.06496	4.3
133.10129	2.7
134.99670	0.2
135.08060	0.2
135.10806	0.1
135.11671	0.6
137.05962	1.2
137.09593	0.9
143.03368	0.2
143.04965	0.1
145.10109	0.2
146.97418	0.5
146.99663	0.5
147.04408	2.6
147.06253	0.3
147.08037	0.5
147.11693	1.1
148.07562	0.2
148.08685	0.2
149.09584	0.3
150.03087	0.3
151.03918	1.9
151.11176	0.2
153.01828	2.5
153.02982	0.2
157.10100	0.4
161.02357	0.2
161.05980	3.3
164.31064	0.2
165.05444	0.8
165.09184	0.2
169.04961	1.5
169.99037	0.1
171.02881	0.4
175.03915	0.4
175.11176	1.1
175.14778	0.6
176.08311	0.1
178.02602	1.1
193.04961	100.0
193.12134	1.8
193.15874	0.9
193.17827	0.4
194.05316	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0496
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
51.29580	0.2
53.10999	0.2
55.01857	0.3
55.05505	0.2
57.03408	0.3
60.83812	0.1
61.68230	0.2
62.36535	0.2
67.01862	2.9
67.05486	0.7
68.99781	1.4
69.07059	0.3
71.32861	0.4
79.05500	1.0
81.03413	1.4
81.07033	0.6
83.04974	0.2
83.08613	0.3
85.02914	1.4
91.01831	0.3
91.05482	1.4
93.07034	0.6
95.04965	0.9
95.08601	0.4
103.05452	0.6
105.06390	0.3
105.07030	2.7
107.04947	0.3
107.08586	0.5
109.02844	0.7
109.06503	0.4
109.10150	0.3
115.05442	0.5
118.85392	0.2
119.04913	0.4
119.08588	1.2
121.10101	0.2
123.04453	0.2
124.05225	0.2
125.05979	1.6
127.03876	0.7
129.06981	0.2
131.08485	0.3
133.02837	0.3
133.06488	1.7
133.10123	1.6
135.11661	0.7
137.05952	0.7
137.09596	0.3
142.67438	0.2
147.04388	1.9
147.11664	0.5
149.09650	0.3
150.11559	0.2
151.03900	1.2
153.01814	2.9
161.06010	1.7
165.05457	0.3
169.04948	1.6
171.02876	0.3
175.03917	0.4
175.11180	0.4
175.14832	0.3
178.02589	0.3
193.04956	100.0
193.15939	0.6
194.05307	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0496
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
53.03942	0.4
55.01871	1.2
55.05504	0.5
56.96561	0.8
57.03433	0.9
57.07080	0.2
59.04995	0.1
65.03932	0.3
66.04714	0.1
67.01862	3.2
67.05510	1.3
68.99783	1.9
69.03413	0.7
69.07069	0.5
70.06595	0.2
70.72318	0.3
71.05000	0.4
73.02909	0.3
77.03931	0.2
79.05494	3.5
81.03416	1.5
81.07058	1.4
83.01338	0.2
83.04973	0.5
83.08603	0.2
85.02901	2.2
85.06545	0.1
89.03928	0.1
90.04704	0.1
90.68468	0.1
91.01848	0.4
91.05475	3.0
91.06001	0.2
93.07041	1.2
93.71023	0.1
95.04968	1.9
95.08590	0.6
97.02897	0.2
97.06538	0.3
97.07631	0.2
98.97580	0.4
99.93540	0.1
102.04705	0.2
102.66396	0.1
103.05471	2.9
104.06240	0.2
105.03416	0.4
105.07027	17.1
107.04976	0.7
107.08572	0.9
108.05754	0.1
109.02885	0.8
109.06505	0.8
109.10189	0.6
111.00804	0.1
111.04439	0.3
111.09203	0.1
115.05453	3.6
116.98604	0.3
117.07041	0.3
118.04161	1.6
119.04951	0.9
119.08582	2.0
121.06511	0.8
121.10144	0.4
122.03648	0.2
123.04419	0.7
123.08057	0.4
123.11700	0.1
124.05238	0.2
125.02358	0.2
125.05982	1.8
127.03921	1.1
129.06990	0.5
130.06543	0.3
131.04927	0.8
131.08583	0.5
132.05717	0.2
133.02867	0.8
133.06490	13.9
133.10101	1.0
134.06960	0.2
134.09662	0.2
134.99667	0.3
135.08043	0.3
135.11732	0.3
137.05972	2.5
137.07024	0.1
137.09634	0.8
137.10550	0.1
140.06064	0.3
142.07854	0.2
143.06042	0.8
143.07173	0.2
146.09700	0.2
146.97458	0.4
146.99670	0.1
147.04408	2.2
147.06287	0.2
147.08073	0.5
147.11673	0.7
148.07568	0.2
149.05986	0.3
149.09691	0.3
150.03142	0.3
150.80043	0.1
151.03918	2.3
151.07462	0.2
151.11172	0.3
153.01825	4.3
157.10129	0.2
158.09653	0.8
161.05975	14.4
162.06491	0.1
164.04510	0.1
165.05472	1.3
165.09166	0.4
169.04968	1.3
171.02893	0.3
175.03961	0.6
175.07571	0.2
175.11162	0.9
175.14844	0.3
176.10777	0.3
178.02586	1.1
178.06155	0.2
190.06586	0.1
193.04958	100.0
193.12006	1.3
194.05321	1.8
194.08134	0.1
194.11815	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0654
Annotation	5-Hydroxyindoleacetate
Peak:m/z	Relative Intensity
53.03933	1.1
54.79128	0.8
55.01863	1.4
55.95861	0.8
56.05026	1.3
56.96569	4.8
56.96793	0.8
60.04522	1.8
65.03928	1.8
65.09029	1.1
66.97456	0.8
67.05497	1.4
68.05020	1.2
69.03416	2.5
69.07063	1.4
69.07841	0.7
70.06582	1.3
70.95856	1.8
71.01351	1.7
71.58592	1.1
72.04525	1.0
72.93777	4.7
73.02916	1.4
74.06069	0.9
74.84527	0.8
79.05479	2.3
81.03407	2.5
82.06540	0.9
83.04961	1.6
84.04498	2.4
84.08127	1.0
85.02898	4.1
86.06048	2.3
86.09721	1.0
86.86753	0.8
87.05609	1.0
90.94810	4.8
91.05473	9.3
93.07037	1.7
94.06557	21.4
95.04941	3.4
96.04487	1.2
97.02871	2.6
98.06068	1.3
98.97558	2.3
99.00793	12.0
99.04441	1.2
103.05460	3.5
104.04980	17.4
105.03379	1.0
105.07011	5.1
106.06551	1.4
107.04956	2.6
108.95847	1.3
109.02881	2.4
110.06042	1.9
110.07172	1.8
111.18797	0.9
114.05588	1.2
116.10711	3.9
117.05740	1.6
118.06544	12.4
118.07348	1.5
119.04953	1.7
119.08540	1.6
120.04440	2.5
120.08112	6.9
121.06510	1.3
122.06013	2.5
122.07026	0.8
123.04427	4.7
124.12000	0.9
128.04956	2.6
128.06157	1.1
128.98608	1.3
129.07007	2.9
131.04929	1.1
131.07259	1.3
132.04430	15.8
132.05368	1.4
132.95830	10.5
134.99669	2.1
136.07576	4.7
137.05956	1.1
141.34134	1.0
144.08057	1.2
146.05994	100.0
146.09631	23.3
146.97449	2.1
146.99670	1.5
147.04352	1.6
147.06532	1.3
148.07562	2.5
149.07045	1.1
149.96043	2.3
150.00748	1.5
150.05499	14.2
150.96877	33.7
153.00694	1.1
160.09659	1.2
161.01109	1.2
161.05899	1.0
164.03458	1.6
164.06979	4.5
165.05460	3.5
167.97141	3.9
168.97910	3.1
174.05492	22.3
174.07671	1.2
174.08900	1.0
177.00633	1.0
177.07825	4.4
186.96881	1.6
191.97142	2.8
192.06517	15.2
192.08536	1.3
192.10104	14.6
192.13808	2.0
192.17441	4.6
193.04936	5.3
197.01143	5.5
209.98238	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	192.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.1
53.94469	2.3
54.03470	3.8
55.01871	6.0
55.05500	8.4
56.05035	18.6
56.96558	17.4
57.03423	8.1
58.06592	9.6
59.04998	2.4
59.06118	6.2
60.04524	19.4
61.02917	4.4
65.03935	7.2
67.05492	9.7
68.05019	8.6
69.03411	10.1
70.02943	4.2
70.06598	17.9
70.95869	4.6
71.04987	5.3
71.32077	4.2
72.04521	12.2
72.08157	4.7
72.93797	14.9
73.02909	8.1
73.05245	3.7
74.06075	19.2
79.05495	8.4
80.05015	11.9
81.03416	11.8
81.04488	2.9
81.07044	4.8
82.02941	3.9
82.06573	24.9
83.01354	3.6
83.04981	14.7
84.04502	73.9
85.02911	15.4
86.06068	30.2
87.04454	4.8
88.03989	8.7
88.07629	3.1
90.94817	15.7
91.05475	18.1
93.03400	3.2
93.07015	6.6
94.06560	8.0
95.04961	8.0
96.04479	10.6
97.02867	6.0
98.06061	35.9
99.04472	6.2
100.03985	5.3
100.07601	18.0
102.05515	4.6
102.10593	2.4
102.96996	3.1
103.05470	3.7
105.07019	5.1
106.06577	4.2
107.04966	5.1
108.04476	5.2
108.08101	2.9
108.95859	5.8
109.02850	6.5
109.06539	3.2
110.06046	40.2
111.04421	11.5
112.03930	4.1
114.05514	12.5
115.03942	7.0
116.07063	7.1
118.06534	9.6
119.04927	9.4
119.06116	3.0
120.08112	4.8
121.10146	2.4
122.06006	4.6
123.04444	5.7
126.05515	16.8
128.07076	23.5
130.06480	3.1
131.97403	3.7
131.99680	3.4
132.06604	3.1
132.95827	27.7
133.02817	5.1
133.06436	4.1
133.07552	3.6
134.06049	3.1
136.03918	2.4
136.07626	5.1
137.05989	3.4
138.05522	14.0
139.03915	3.7
141.35823	2.9
144.06531	7.4
146.05969	14.9
146.08116	10.5
146.09608	4.0
146.97433	3.8
147.04402	7.7
148.07588	7.8
148.97617	2.7
149.96098	5.8
150.05515	3.2
150.96884	100.0
150.98090	5.6
154.04929	3.2
156.06554	26.2
160.05069	3.0
164.07051	9.3
165.05461	10.0
167.97153	9.9
168.98039	6.4
169.03487	3.7
173.98537	6.0
174.05331	2.8
174.07658	38.4
175.03865	4.1
175.07536	2.4
178.02629	8.9
186.99142	7.5
187.02692	3.0
191.97141	9.1
192.06519	26.2
192.08769	20.3
192.10214	11.8
192.13849	5.7
192.17390	14.7
193.04951	25.0
193.12288	3.6
209.98248	6.0
210.00562	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1792
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
50.66169	1.1
53.03944	2.7
53.55980	1.0
55.05507	14.6
57.07059	4.9
58.42416	1.1
60.15333	1.1
67.05501	13.9
69.03425	1.1
69.07066	40.8
70.78358	3.3
79.05495	15.6
81.07057	17.5
83.08620	12.8
91.05479	11.2
93.07040	48.0
95.04957	2.1
95.08605	79.9
95.73280	1.2
97.10174	7.9
103.05485	1.7
105.07035	8.4
107.04966	2.3
107.08592	64.9
109.06489	2.4
109.10157	40.3
109.10920	2.0
110.06042	3.2
111.11732	1.5
115.05438	1.3
117.07011	1.3
118.06567	1.9
119.08569	4.6
121.06508	1.7
121.10137	76.2
123.08031	1.8
123.11717	7.1
131.08517	3.7
133.10098	3.7
135.08066	4.4
135.11691	63.7
145.10123	3.0
146.05995	3.1
147.11697	3.5
148.07567	2.7
149.09560	2.0
149.13255	14.2
150.60297	1.2
162.14023	1.1
163.11096	1.5
163.14839	2.1
173.09723	1.2
173.13243	4.7
174.05498	1.5
176.04774	1.2
191.06883	2.6
191.08429	1.5
191.10675	3.7
191.14307	19.2
191.17940	100.0
192.06577	4.0
192.18227	1.6
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
53.03926	1.3
55.01864	1.5
55.05496	3.0
57.03439	1.1
57.07048	1.3
60.88911	0.7
65.03951	0.8
67.05494	6.7
69.03430	4.6
69.07064	6.3
69.29781	0.8
70.95289	1.6
71.04993	13.0
79.05495	7.6
80.62115	0.7
81.03416	0.9
81.05448	0.8
81.07061	9.4
82.57586	0.7
83.04977	1.3
83.08623	1.1
84.37939	0.7
85.06539	6.6
91.05478	17.2
93.07040	15.8
95.04978	7.1
95.08611	14.5
97.06535	13.2
103.05456	3.9
105.07028	24.0
106.07357	0.8
107.04939	2.4
107.07860	1.7
107.08593	35.7
109.06515	9.0
109.10146	6.9
111.08077	5.7
115.05418	2.2
117.07014	4.2
118.04150	1.0
119.04931	0.8
119.08578	13.1
121.06498	3.4
121.10144	33.9
121.11022	1.8
123.08051	4.6
123.11685	0.8
129.06987	2.7
131.04938	3.2
131.08562	22.6
133.07487	1.0
133.09120	1.2
133.10124	23.8
135.08049	21.5
135.11719	4.2
143.08568	4.9
144.09326	1.6
145.06529	1.5
145.10115	9.4
146.05988	1.0
147.11676	18.0
148.05183	2.1
148.12274	1.0
149.05951	0.8
149.09627	4.6
149.13242	16.8
158.10909	8.4
161.09604	1.3
163.07515	3.3
163.11185	1.6
163.14824	1.7
167.02046	0.9
173.05962	1.1
173.09607	1.1
173.13264	30.5
176.04716	1.6
181.97658	0.8
191.03400	2.1
191.07042	4.6
191.10730	5.7
191.14301	100.0
192.06306	1.0
192.14572	2.3
198.43141	1.0
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
53.03947	1.1
55.05511	5.0
57.03429	1.3
57.07081	1.6
65.03941	0.7
67.05506	4.4
69.03073	0.8
69.03434	13.3
69.07072	6.3
69.80320	1.4
69.80736	0.5
71.04981	0.9
73.51366	0.3
79.05496	11.9
81.03426	1.0
81.07059	11.7
83.04989	4.9
83.08622	1.6
85.06542	0.9
91.05483	10.2
93.07050	9.9
95.04961	2.4
95.08609	4.7
97.06538	0.9
102.04724	0.4
103.05486	3.6
105.03379	0.7
105.07034	17.2
107.04958	7.2
107.08599	26.0
109.06513	4.5
109.10160	9.6
111.08080	0.4
112.03114	0.3
115.05460	1.3
116.06218	0.6
117.06998	3.2
118.04183	0.7
118.07800	0.9
119.06120	0.4
119.08591	5.6
121.06516	4.0
121.10151	18.0
122.07276	2.3
122.10477	0.3
123.08082	3.1
128.06168	0.5
129.06990	0.8
130.04161	0.5
130.07809	0.8
131.04918	2.0
131.08572	10.8
133.02826	0.7
133.10135	100.0
134.10403	1.6
135.08055	6.1
135.11674	3.1
137.09622	12.7
143.08582	3.0
144.09378	1.7
145.06476	0.9
145.10132	8.4
145.11267	0.5
146.03586	0.4
147.08107	0.4
147.11684	4.8
148.05182	1.4
149.05995	0.5
149.09657	3.2
149.13266	14.7
155.08640	0.4
158.10919	5.4
161.09630	0.8
163.07544	1.9
163.11191	0.8
163.14839	3.5
173.09601	1.3
173.13275	18.1
174.13545	0.5
176.11972	0.5
191.03383	1.5
191.07014	2.0
191.10730	3.1
191.14314	26.8
192.14650	0.5
199.59538	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.02363	1.8
53.03935	2.7
55.01859	3.3
55.05504	6.9
56.96558	6.3
57.03435	8.2
57.07076	5.8
59.04985	4.7
65.03941	3.5
67.05212	1.3
67.05503	12.9
69.03417	7.4
69.07063	15.6
69.67216	5.7
69.67628	2.8
71.04980	4.1
71.27739	1.0
72.93774	2.5
73.02908	2.4
79.05486	18.1
81.03409	3.8
81.07059	17.5
83.04974	6.5
83.08595	6.2
85.02910	1.4
85.06534	6.2
85.81387	1.1
86.09692	2.9
88.02204	2.8
89.03893	1.5
90.94781	1.7
91.05475	37.8
93.03398	2.0
93.07034	27.9
95.04964	9.7
95.08607	11.6
97.02876	2.6
97.06520	13.5
98.97601	1.6
102.04707	1.2
102.51429	1.2
103.05482	8.1
105.07026	64.7
107.04945	9.2
107.08588	53.2
108.05613	1.3
109.06507	7.5
109.07658	3.0
109.10151	12.6
110.06044	2.6
110.07137	3.4
111.08048	2.1
115.05453	3.6
116.06219	2.0
116.98606	2.6
117.07025	14.8
118.04158	2.5
118.07729	1.7
119.08572	26.3
121.06510	9.2
121.10130	29.3
123.08057	9.4
123.11694	16.2
128.06172	1.8
129.07030	5.7
130.07726	3.1
131.04942	6.8
131.07578	2.6
131.08559	43.9
132.05678	1.4
132.95818	2.0
133.02818	1.8
133.06476	3.3
133.10121	100.0
134.99672	1.5
135.04471	2.1
135.08047	17.9
135.09067	1.1
135.11642	6.2
136.08733	1.8
137.09615	3.6
143.08540	8.9
144.09334	3.6
145.06453	9.7
145.07527	2.1
145.10120	22.2
146.05977	4.3
146.07079	1.6
147.08058	3.4
147.11670	8.9
148.05156	3.3
148.07507	1.2
148.08678	2.3
149.01176	3.5
149.05977	3.0
149.09618	11.5
149.13266	13.6
150.96848	3.8
155.04895	1.7
155.08456	1.5
158.10905	16.9
161.09621	3.5
163.03848	2.0
163.07494	6.4
163.11131	2.7
163.14781	8.5
167.02216	2.2
173.05988	6.0
173.09612	4.4
173.13257	46.9
173.95609	1.2
174.05397	1.8
176.04639	1.4
179.56688	1.3
191.03314	2.6
191.06862	7.4
191.09015	1.4
191.10652	14.1
191.12923	2.6
191.14294	66.5
191.62079	1.2
192.06548	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03952	2.6
55.01872	3.3
55.05502	8.8
56.96571	3.1
57.72753	2.4
57.88253	2.4
67.05518	12.9
67.90783	2.5
69.03416	5.0
69.07066	13.2
69.54133	19.1
71.04990	6.6
79.05509	19.6
81.07042	12.8
83.04983	4.9
83.08623	5.2
85.06537	3.5
90.04712	3.6
91.05489	37.8
93.07053	29.6
95.04961	13.5
95.08619	13.7
96.36555	2.6
97.06540	10.7
102.04716	5.6
103.05476	76.7
105.03394	6.1
105.07028	60.4
107.04951	11.7
107.08598	47.3
109.06529	16.5
109.10142	28.2
113.59757	2.5
115.05453	9.7
117.07011	18.8
118.04169	21.2
119.04926	5.9
119.08598	31.4
120.05688	2.9
121.06504	9.5
121.10149	31.0
123.08063	9.6
123.11672	7.3
129.07030	10.5
130.04144	3.3
130.07733	4.2
131.04936	41.5
131.08566	52.9
132.05670	6.3
133.02850	11.6
133.06490	7.2
133.10133	100.0
135.08057	41.9
135.11710	9.7
143.08571	10.9
144.09352	5.7
145.06497	5.7
145.10127	43.5
146.03606	5.4
147.04512	2.8
147.11716	17.1
148.05206	37.8
149.09604	10.9
149.13258	28.6
158.07185	3.1
158.10930	19.8
161.09692	4.1
163.07553	43.4
163.11177	6.4
173.05971	5.1
173.09669	3.2
173.13255	71.2
174.03215	2.7
176.04710	8.5
176.11900	2.9
184.38313	3.4
191.03371	3.1
191.07007	35.9
191.10701	12.2
191.14316	71.5
191.16052	4.7
192.04193	3.2
192.10210	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03941	1.4
55.05510	4.7
57.03435	1.3
57.07078	1.6
65.03954	0.8
66.96884	0.5
67.05504	5.0
69.03425	13.0
69.07069	5.2
70.72073	1.0
70.72407	0.8
79.05494	10.6
80.78191	0.5
81.03419	0.8
81.07056	9.4
83.04977	2.8
83.08634	1.0
85.06548	0.9
91.05480	8.6
92.41581	0.6
93.07045	9.3
95.04974	2.4
95.08614	3.4
97.06522	0.9
103.05476	2.0
105.07028	16.4
107.04965	6.1
107.08589	23.3
109.06506	2.4
109.10148	9.2
111.08025	0.6
113.19913	0.5
115.05421	1.3
117.07016	3.4
118.07779	0.8
119.06084	0.8
119.08562	6.2
121.06487	3.6
121.10139	16.0
122.07285	2.8
122.62600	0.5
123.08051	2.9
129.07014	1.3
130.07755	0.9
131.08559	11.6
132.45471	0.5
133.10124	100.0
134.10464	1.2
135.08051	4.2
135.11705	3.0
137.09607	14.0
143.08574	3.4
144.09372	1.0
145.10107	9.7
147.11661	3.8
149.09637	3.7
149.13252	13.1
156.09334	0.5
158.10896	5.4
161.09569	0.7
163.07460	0.7
163.11179	0.9
163.14789	2.3
173.13249	16.3
191.06937	0.7
191.08513	1.4
191.10658	2.0
191.14297	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03937	2.3
55.01867	4.8
55.05504	9.4
56.96558	7.4
57.03436	6.7
57.07065	5.5
59.04983	1.3
60.04519	1.7
65.03940	3.5
67.05499	16.0
69.03432	15.7
69.07073	13.6
69.41539	5.9
69.41963	4.9
71.04979	10.8
72.93788	1.8
73.02934	2.0
77.03882	1.4
79.05492	26.5
80.05013	1.9
81.03412	3.5
81.07052	19.1
82.06598	1.3
83.04990	11.9
83.08606	4.6
85.02920	1.3
85.06529	4.1
89.03947	2.2
90.94798	1.7
91.05481	41.6
93.07044	27.2
94.06564	1.8
95.04969	16.5
95.08601	19.9
97.02868	2.2
97.06534	8.7
97.53487	1.2
98.97581	3.0
99.04444	1.9
102.04684	3.8
103.05464	37.4
105.03371	5.1
105.04503	1.5
105.07027	56.8
106.06589	2.2
106.25409	1.4
107.04959	16.0
107.08592	52.9
109.02904	1.7
109.06491	13.3
109.07623	2.7
109.10159	12.2
110.06039	3.8
111.08048	1.8
115.05467	10.8
116.06200	3.9
116.98608	2.8
117.07014	20.4
118.04162	14.0
118.06554	3.2
119.01863	1.3
119.04967	6.2
119.08575	28.0
120.05693	3.2
120.08101	8.2
121.06498	18.7
121.09304	2.7
121.10145	38.9
122.07283	1.7
123.04430	2.1
123.08076	10.5
123.11704	2.7
128.06213	2.6
129.07028	8.5
130.04164	4.6
130.07762	4.9
131.04939	26.3
131.08566	70.9
132.05688	3.1
132.95837	1.6
133.02831	5.7
133.06491	11.2
133.07516	2.6
133.10126	77.4
134.07143	1.3
134.99669	3.6
135.04396	5.5
135.08047	30.4
135.09019	1.0
135.11681	9.0
136.07581	1.7
136.08673	2.4
143.08560	12.1
144.09337	4.5
145.06490	14.7
145.07587	1.6
145.10121	39.2
145.47069	1.4
146.03635	1.7
146.06015	8.7
146.99565	1.9
147.04416	3.2
147.08031	6.0
147.11674	17.8
148.05190	14.8
148.07597	1.9
148.08778	4.1
149.01256	3.0
149.02335	1.5
149.06018	7.3
149.08415	2.1
149.09618	30.2
149.13254	21.7
150.05449	1.4
150.10309	2.6
150.96866	7.7
151.07434	1.7
151.11047	1.8
155.08484	2.4
156.09395	1.7
158.10941	16.2
159.04454	1.4
160.05060	21.7
161.09607	5.1
163.03844	2.3
163.07527	27.5
163.08748	2.9
163.11134	7.8
163.14821	7.8
167.02267	2.4
168.04942	1.9
171.11758	2.4
173.06000	5.3
173.09613	11.2
173.13260	57.9
174.01923	1.4
174.05458	2.2
176.04674	8.6
177.00623	1.6
186.99020	1.3
191.03403	5.1
191.06934	44.8
191.10645	22.2
191.14319	100.0
192.06595	5.1
192.10173	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	191.0703
Annotation	1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
Peak:m/z	Relative Intensity
51.02374	0.8
53.03952	2.7
55.01875	4.1
55.05514	2.8
56.96572	2.2
57.03444	1.7
57.07074	1.6
65.03950	1.6
66.04730	3.0
67.05502	5.0
68.99773	1.0
69.03442	2.9
69.07067	5.0
69.37184	4.6
69.37606	2.2
71.04999	1.9
77.03920	1.4
79.05497	13.2
80.05013	0.7
81.03417	1.0
81.07056	6.6
83.04985	2.8
83.08602	1.0
85.06547	0.8
88.02208	1.1
89.03910	1.6
90.04707	3.3
91.05479	23.7
92.06290	1.9
93.07047	11.5
95.04976	8.5
95.08597	6.0
97.06539	2.1
98.97576	0.7
102.04681	6.3
103.05466	100.0
104.05789	1.0
104.85783	0.7
105.03385	13.0
105.04474	1.9
105.07030	24.3
107.04953	9.6
107.08592	16.7
109.06506	3.7
109.10144	4.1
110.06054	1.1
115.05476	8.4
116.06199	1.2
117.07010	13.3
118.04163	31.6
118.06483	1.4
119.04945	11.1
119.08578	9.3
120.05753	4.3
121.06507	8.5
121.10147	8.5
123.04432	2.1
123.08061	2.7
123.11691	1.7
128.06229	1.6
129.06978	3.7
130.04150	10.4
130.07806	1.5
131.04927	70.2
131.08568	20.3
132.05771	6.9
133.02853	20.8
133.03799	1.6
133.06506	11.1
133.07465	1.7
133.10124	14.6
134.07162	0.7
135.04375	1.2
135.08051	13.1
135.11673	2.9
143.08548	3.1
144.09270	1.4
145.06499	10.1
145.07600	1.5
145.10123	14.1
146.03641	5.7
146.06020	1.2
147.04367	3.1
147.08037	3.7
147.11679	10.8
148.05191	61.8
149.01216	1.0
149.05859	2.6
149.09633	7.9
149.13246	6.6
150.96918	0.8
158.07251	1.2
158.10910	4.3
159.04408	1.4
160.05124	1.0
161.05956	1.0
161.09625	1.7
162.06683	1.3
163.07538	78.0
163.11176	2.2
163.14803	2.8
164.07870	1.6
167.97096	1.0
173.05930	6.2
173.07234	1.1
173.09615	4.7
173.13277	14.8
176.04697	11.0
191.06979	58.1
191.10681	12.1
191.14310	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01874	4.2
55.05508	2.9
56.96552	0.8
57.03428	1.1
57.07058	0.8
65.03944	0.7
67.05499	4.3
69.03421	3.5
69.07067	16.0
69.68439	4.0
71.04974	1.1
77.45876	0.5
79.05497	7.5
81.03420	0.6
81.07063	5.6
83.04985	3.0
83.08610	1.0
83.49990	0.5
85.06510	1.1
91.05477	11.6
93.06464	1.1
93.07043	18.7
94.07381	0.5
95.04973	3.6
95.08613	5.1
97.06538	3.2
98.21411	0.7
103.05464	4.2
105.04513	0.5
105.07029	15.9
107.04967	3.6
107.08597	18.2
109.06526	2.7
109.10161	3.9
111.04446	0.5
111.08086	0.6
115.05435	1.5
117.07015	8.2
118.04164	1.0
119.08581	5.6
121.06504	21.7
121.10141	13.9
123.08071	3.4
123.11731	0.6
129.06981	2.3
130.04114	1.2
130.07764	2.1
131.04945	3.4
131.07568	1.2
131.08568	22.7
133.02849	0.7
133.06517	0.7
133.10133	23.2
135.04379	0.6
135.08052	10.3
135.11708	5.9
137.09628	3.1
143.08548	2.6
144.09349	0.7
145.06465	1.4
145.10130	24.4
145.11287	1.2
146.03546	0.7
146.10526	0.7
147.08043	0.7
147.11681	26.1
148.05170	2.4
148.08833	0.7
149.01131	0.6
149.05937	1.3
149.09642	5.1
149.12167	0.9
149.13254	10.9
155.08650	0.6
158.07245	0.7
158.10890	2.7
161.09630	6.0
163.07513	3.2
163.11189	4.4
163.14807	2.1
163.95421	0.6
171.11743	0.6
173.05908	0.6
173.09709	3.2
173.13258	12.9
175.11169	0.6
176.04672	1.1
176.11963	2.5
191.03383	2.2
191.06987	3.6
191.10719	11.1
191.14304	100.0
192.14638	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0702
Annotation	1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
Peak:m/z	Relative Intensity
50.01600	0.5
51.02382	0.6
53.03940	1.9
55.01874	1.3
55.05504	1.7
56.96562	2.0
57.07075	1.2
65.03936	1.0
66.04714	3.9
67.05518	2.6
68.99796	0.7
69.03421	1.2
69.07070	3.0
71.05003	0.6
77.03902	1.0
78.04723	1.0
79.05491	8.0
81.03432	0.9
81.07044	2.4
81.16097	0.5
83.04964	0.8
83.08622	1.1
89.03915	1.1
90.04682	3.3
91.05470	11.1
92.06269	1.8
93.07047	4.8
95.04959	5.3
95.08618	3.8
100.02504	0.8
102.04682	9.0
103.05464	100.0
104.05747	0.8
105.03394	10.5
105.04510	1.1
105.07023	12.1
106.04191	0.7
107.04945	9.9
107.08586	5.8
109.06450	1.1
109.10142	4.1
110.06033	1.2
112.20731	0.5
115.05448	8.1
116.98616	0.6
117.03394	1.0
117.07014	5.9
118.04157	37.0
118.06518	0.9
119.04962	9.6
119.08575	1.1
120.05738	4.6
121.06491	2.1
121.10153	6.5
123.04427	1.3
123.08028	1.0
123.11710	1.5
130.04138	18.3
130.52124	0.6
131.04927	62.9
131.08560	2.5
132.05762	5.7
133.02847	19.5
133.06479	7.1
133.10115	1.5
135.08046	7.5
135.11681	5.6
141.97006	0.8
145.06468	10.8
145.10103	1.7
146.03629	7.9
146.05943	0.9
147.04427	5.2
147.06252	0.7
147.11659	0.7
148.05185	52.8
149.01169	1.6
149.05855	2.0
149.09599	1.2
149.13231	1.9
155.06076	1.0
155.08583	0.7
158.03581	1.1
158.10936	1.0
159.04422	0.9
161.05928	2.2
162.06752	1.5
163.07536	71.0
163.14738	0.7
164.07880	0.9
167.02211	0.9
168.02533	1.2
173.05974	7.8
173.09616	1.0
173.13223	1.7
175.04041	0.6
176.04680	19.1
177.05106	0.6
191.07008	56.6
191.10506	3.0
191.12648	1.3
191.14256	8.0
191.15936	0.9
191.17924	6.5
192.07393	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0702
Annotation	1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
Peak:m/z	Relative Intensity
51.02404	1.1
53.03942	2.4
55.01872	1.9
55.05511	2.0
56.96561	3.8
57.03432	1.7
57.07065	1.8
63.02361	0.9
65.03927	1.7
66.04723	4.9
67.05500	2.9
68.99793	1.2
69.03423	1.8
69.07056	1.9
70.20603	0.6
71.05011	1.3
74.17084	0.8
78.04715	1.1
79.05489	8.5
81.03361	0.7
81.07056	2.5
83.04977	1.3
85.02899	1.0
89.03924	1.6
90.04707	3.1
91.04900	1.0
91.05470	14.4
92.06272	1.9
92.10400	0.6
93.07022	5.0
95.04955	7.0
95.08619	3.1
97.02863	0.8
102.04684	13.3
103.05465	100.0
103.67852	0.7
104.05733	1.1
105.03381	10.1
105.07029	14.9
107.04284	1.1
107.04953	12.1
107.08575	5.5
109.06490	1.7
109.10154	2.1
110.06045	2.0
115.05448	8.0
116.98630	0.7
117.07018	10.5
118.04160	38.4
119.04967	10.0
119.06859	0.8
119.08562	2.0
120.05738	4.4
121.06464	2.3
121.10127	4.2
123.08032	1.0
128.26793	0.7
129.06973	0.8
130.04140	22.3
130.46667	0.8
131.04922	66.4
131.08553	2.7
132.05740	4.9
133.02840	16.8
133.03792	1.2
133.06502	6.8
133.10101	3.0
135.08047	9.9
135.11684	1.3
139.75484	0.8
141.96971	1.3
145.06476	15.0
145.07603	0.9
145.10136	3.0
146.03596	9.6
146.06024	1.9
147.04430	6.1
147.06377	0.8
147.07939	1.0
147.11598	0.9
148.05185	54.3
149.01208	2.0
149.06068	3.3
149.09624	1.9
149.13219	1.3
155.06102	1.4
158.03595	1.1
161.06000	1.8
162.06892	1.3
163.07536	72.1
163.14703	0.8
164.07983	0.9
167.97319	0.7
173.05956	7.8
173.09601	2.3
173.13235	2.6
174.05539	0.7
175.64313	0.8
176.04680	25.7
191.07007	61.5
191.10675	5.1
191.12563	2.7
191.14223	10.6
191.17917	1.4
192.07437	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1258
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99064	0.6
51.42486	0.3
53.00331	0.2
55.05496	0.2
57.07072	25.7
59.99113	4.6
62.99078	0.6
63.14634	0.2
66.45940	0.2
70.47511	0.2
78.00150	42.1
82.54819	0.2
84.08134	0.8
86.09703	10.0
88.02210	0.6
92.01688	0.8
96.80493	0.3
107.05245	0.3
116.05293	0.9
119.08525	0.3
124.73362	0.3
130.06891	0.3
134.06346	45.7
135.06679	0.3
148.07889	3.3
150.54936	0.3
163.07571	0.4
172.11475	0.3
179.38354	0.2
190.12599	100.0
191.12898	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03938	1.2
55.05503	6.5
56.96558	1.2
60.90751	0.5
65.03932	0.9
67.05500	16.3
69.03445	0.5
69.07057	3.3
69.50292	1.0
69.50690	4.1
79.05488	10.8
81.07053	40.9
82.07378	0.7
83.01372	0.6
83.08618	1.0
85.02903	2.0
87.00867	0.5
91.05473	18.4
93.07038	36.6
95.04964	2.0
95.08598	83.5
96.08925	0.7
97.10153	1.3
102.05539	0.7
103.05420	0.6
105.07021	41.4
107.08586	33.4
109.06487	0.7
109.10143	16.6
117.07010	2.3
119.04946	0.6
119.08575	27.5
121.10126	4.6
121.10868	0.8
123.11730	0.7
128.06233	1.0
129.06995	1.7
131.08569	3.4
133.06540	1.0
133.10120	55.8
134.10497	1.1
143.08549	1.9
145.06490	0.9
145.10129	2.4
147.08122	1.2
147.11674	29.9
156.09314	1.6
161.05956	1.5
161.09695	1.1
161.11967	1.0
161.13252	16.7
171.11772	1.9
172.13258	0.8
174.06715	1.2
174.10350	1.0
189.05434	1.1
189.09090	3.6
189.12801	5.4
189.16367	100.0
190.08549	0.9
190.16702	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	190.1225
Annotation	1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide
Peak:m/z	Relative Intensity
55.01861	0.9
56.96553	3.2
57.03419	1.3
57.07061	1.1
65.03928	0.8
66.04709	1.3
69.03434	1.2
69.41863	3.0
69.42291	3.9
78.00111	0.8
79.05488	2.7
79.18922	0.7
80.04989	1.1
81.03393	1.2
81.07042	0.8
85.11920	0.9
91.05473	4.9
93.05796	1.5
93.07030	1.9
95.04956	2.1
102.04659	1.7
103.05466	17.3
105.03367	2.0
105.07052	3.9
106.06512	2.5
106.07286	0.7
107.04945	2.9
107.08655	1.7
108.04488	0.9
108.89145	0.7
109.06507	0.7
115.05393	2.3
117.07002	3.3
118.04165	7.1
118.06542	22.1
119.04925	2.2
119.08578	1.4
120.05693	1.5
120.08085	3.0
121.10123	0.9
130.04118	3.5
130.06488	2.0
131.04008	1.2
131.04918	12.8
132.04439	4.0
132.05733	1.4
132.08087	39.4
133.02841	3.4
133.06505	1.0
133.08871	33.5
134.06207	1.3
134.09642	4.1
135.08043	1.8
140.09248	0.8
143.08609	0.8
144.08044	1.5
145.06444	3.8
145.10161	1.6
146.03619	2.2
146.06004	76.0
146.09589	2.0
147.04402	1.8
147.06363	1.3
147.11627	0.8
148.05171	10.9
148.07535	1.0
149.02344	1.5
149.05908	0.8
149.08289	1.0
157.06680	0.8
160.07585	11.4
161.08357	14.0
162.09140	1.6
162.12746	9.6
163.07542	13.1
163.08786	1.4
172.11128	1.8
173.05997	1.7
173.13274	1.0
174.09189	1.0
176.04742	4.5
185.02945	0.8
190.04910	1.6
190.08580	5.5
190.12256	100.0
191.07004	10.7
191.10706	1.5
191.12569	2.5
191.14284	2.4
200.38965	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.3
67.05499	1.9
68.03374	0.9
69.03436	4.7
69.07051	1.8
70.72735	1.5
70.73086	2.3
71.27335	0.8
78.00808	1.0
79.05479	1.8
81.07061	1.5
83.04971	0.9
91.05462	5.1
93.07060	1.2
95.04968	1.5
96.34461	0.8
105.07044	13.8
107.08588	2.0
116.06178	1.0
117.07013	3.1
119.08578	24.1
121.10165	0.9
128.06209	2.2
129.06984	2.8
130.07765	4.2
131.08569	6.9
133.06470	3.4
133.10138	9.2
135.08035	3.7
141.07004	5.5
143.08566	5.5
144.09334	2.6
145.06487	2.0
145.10132	11.9
146.10826	1.1
147.08044	10.6
147.11691	13.9
149.09698	1.0
155.08571	1.6
156.09341	41.6
159.08061	9.2
159.11688	10.5
160.08800	4.1
161.09592	4.2
161.13226	12.2
171.11688	54.3
172.12001	1.3
174.08949	1.3
174.10405	16.8
177.60451	1.0
189.12738	100.0
190.13103	1.8
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
50.33040	0.9
52.86217	0.9
55.05482	2.1
55.46514	1.0
67.05482	1.1
69.03451	5.0
69.03751	1.1
69.07061	1.6
69.28481	0.9
71.03863	1.6
71.04192	1.6
79.05482	2.1
81.07056	1.7
83.01324	2.7
84.01640	1.4
84.04481	1.2
85.02924	1.1
86.09689	1.2
87.30009	1.0
88.11287	1.3
89.11576	1.5
91.05478	9.3
93.07030	2.3
95.04931	1.2
95.08598	2.0
100.03937	1.3
105.07027	17.2
107.08575	3.8
115.05432	3.7
117.07023	5.1
119.08572	23.5
121.10118	1.1
128.06195	5.5
129.06984	4.3
130.07764	5.7
131.08568	7.0
133.06476	4.0
133.10117	7.8
141.06987	9.8
143.08556	8.6
144.09317	3.6
145.06480	2.9
145.10126	17.4
146.07280	1.2
146.10893	1.2
147.04385	2.3
147.08035	9.4
147.10521	1.5
147.11671	20.5
147.73715	1.1
155.08583	3.0
156.09337	57.8
157.09808	1.2
159.08025	6.8
159.11691	14.6
160.05139	3.4
160.08812	2.2
161.05974	5.5
161.09593	3.5
161.13283	5.1
170.36371	1.0
171.11684	65.5
172.12016	1.8
173.09590	1.1
174.06758	1.5
174.10419	12.2
189.09132	6.0
189.12730	100.0
189.16322	3.5
190.13028	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1235
Annotation	19461-38-2
Peak:m/z	Relative Intensity
56.05046	0.5
56.96567	1.8
59.06119	0.3
60.05634	0.4
62.96359	0.3
69.03437	0.4
69.07062	0.7
69.73772	0.3
70.06587	1.5
70.25409	1.2
70.25764	0.6
72.08153	0.6
72.93787	0.3
83.04969	0.3
84.04490	0.6
84.08142	0.4
85.02892	0.7
86.09702	100.0
87.04505	0.3
87.10034	1.2
91.05469	0.7
97.02885	0.4
98.97583	1.5
99.05557	0.4
100.99158	0.4
105.07012	0.8
115.05433	0.4
116.98616	1.2
117.07011	0.3
119.08554	0.7
126.05534	0.8
128.06242	0.4
132.10201	38.9
133.06491	0.6
133.10445	0.5
134.99655	1.2
143.11789	19.6
144.12158	0.4
146.99675	0.4
147.11732	0.4
150.96992	0.4
156.09331	0.5
160.07584	0.5
161.05983	0.7
165.00708	0.3
171.11534	0.6
189.05475	0.6
189.09161	0.5
189.12569	2.1
190.05038	0.3
190.08575	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1281
Annotation	Hyacinthacine A3
Peak:m/z	Relative Intensity
51.57748	0.6
55.01872	17.4
55.05518	1.6
56.05032	0.8
56.96565	4.0
57.03453	1.1
57.07080	0.7
61.02929	1.0
64.31393	0.6
67.05508	1.1
68.05019	0.8
69.03432	1.6
69.07072	2.7
69.73876	4.5
70.06601	0.7
71.08632	33.7
72.04509	6.9
73.02916	0.9
74.02448	0.7
79.05497	1.2
81.03409	1.3
81.07048	1.0
82.02940	18.1
82.06586	1.2
82.13025	0.7
83.01341	100.0
84.01661	1.2
84.04031	1.0
84.04507	14.0
85.02917	3.4
86.06055	0.9
86.09706	14.2
87.04462	1.1
88.11268	86.0
89.11595	1.4
89.42786	0.6
91.05498	3.7
93.07063	1.0
93.96317	0.6
94.06571	0.7
95.04942	1.0
95.08592	1.3
96.04498	4.4
98.97595	2.8
100.03978	53.7
100.07637	0.8
101.02343	0.6
102.05533	0.9
103.05488	1.0
105.07018	3.5
106.07384	0.6
107.08615	1.2
110.06075	1.3
114.05529	2.1
115.05437	4.4
116.07079	0.7
116.98642	2.5
117.05750	1.0
117.07059	1.1
118.05042	0.8
118.06552	5.5
118.07317	1.1
119.04890	1.0
119.08607	4.2
120.43760	0.7
124.11224	1.0
126.05531	0.9
128.06209	1.9
128.07091	1.6
129.06981	1.9
130.07748	0.7
131.04939	1.0
131.08591	1.4
132.08034	0.7
133.06503	1.8
133.10129	1.6
134.99651	2.0
142.06508	0.9
142.12274	13.4
143.04910	5.2
143.08557	1.7
144.08125	2.2
144.10199	1.4
145.06538	0.7
145.10103	1.1
146.06006	7.0
146.10457	1.1
147.04396	0.9
147.08052	0.9
147.11703	1.0
149.01248	1.3
152.10652	0.7
156.09331	1.7
159.11749	0.8
160.05179	1.8
160.07474	1.2
160.12047	1.4
161.05988	7.1
161.09592	0.9
170.06075	1.3
170.11761	97.6
171.08015	0.8
171.11754	3.1
173.05821	1.1
174.06822	2.3
177.00722	1.9
188.07060	2.1
188.09465	3.4
188.11380	1.7
188.12881	8.5
188.14491	0.9
188.15295	0.9
189.05444	7.6
189.09111	5.7
189.12729	4.1
189.16351	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0705
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
50.77286	0.3
51.20052	0.3
51.68060	0.4
57.87967	0.4
71.34115	0.8
71.34444	0.5
81.25905	0.3
84.04503	0.4
91.05485	3.3
97.68319	0.4
103.05492	0.5
115.05431	5.1
116.79004	0.4
117.05744	1.4
117.07011	4.1
118.06538	62.5
118.68664	0.4
119.06872	0.9
142.06517	5.4
143.07306	10.7
144.04417	1.0
144.08078	23.4
145.06532	1.0
145.08484	0.6
146.06003	100.0
147.06358	2.4
148.41052	0.4
154.40445	0.5
156.28595	0.4
160.07596	0.6
170.06003	9.1
188.07065	19.4
189.07393	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1281
Annotation	8-Amino-7-oxononanoate
Peak:m/z	Relative Intensity
55.01868	17.3
55.05510	1.2
56.05025	1.9
56.96561	3.7
57.03431	2.5
59.04992	1.3
60.04528	0.9
61.02913	3.2
67.05524	1.4
69.03419	1.4
69.07065	7.9
69.59037	6.5
70.02942	0.8
71.04991	0.9
71.08627	29.1
72.04513	6.7
73.02901	1.5
75.04485	2.0
79.05482	1.9
81.03415	1.3
81.07034	1.6
82.02943	14.0
82.06557	1.3
83.01336	100.0
83.04960	1.7
84.01664	1.1
84.04501	35.8
84.11471	0.9
85.02901	9.8
86.06062	1.2
86.09700	34.9
87.03976	0.7
87.04460	3.2
88.11263	81.6
91.05481	3.2
93.07050	2.3
95.08624	1.0
96.04487	4.1
98.06059	1.8
98.20724	1.2
98.97583	2.1
100.03972	46.9
100.07588	1.5
101.47205	0.8
102.05523	7.2
105.07008	4.7
107.08589	1.4
110.06048	1.2
114.05514	1.6
115.05447	2.0
116.98634	2.5
118.06535	3.5
118.07336	0.8
119.00227	1.1
119.08603	3.9
120.06583	2.7
126.05512	2.3
128.06232	1.6
128.07066	3.2
130.99037	0.8
133.06499	1.3
133.10120	1.9
142.12277	11.2
143.08536	1.9
145.10103	1.1
146.06000	3.4
147.04478	0.9
147.08107	1.4
147.11665	2.4
156.09366	1.2
160.05142	2.3
161.05971	6.0
161.09628	1.4
170.06082	1.7
170.11755	98.3
171.11952	3.7
173.09084	0.8
174.10466	1.7
188.07001	1.2
188.09290	5.9
188.11389	1.8
188.12863	11.6
189.09100	3.2
189.12663	4.7
189.16463	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
62.89970	0.4
69.67206	0.6
69.67609	2.2
73.13499	0.3
78.37495	0.3
84.04507	0.7
85.02870	0.4
91.04956	0.6
91.05478	6.2
103.05463	0.7
106.02475	0.4
115.05439	7.3
117.05750	2.4
117.07004	6.1
118.06536	83.0
119.06865	1.4
128.04971	0.6
128.06206	0.4
132.08087	1.1
138.83926	0.4
142.06531	7.5
143.07303	14.6
144.04425	0.9
144.08075	26.5
145.06459	1.1
145.08430	1.0
146.06000	100.0
147.06352	2.2
155.06017	1.2
160.07587	1.0
170.04610	0.7
170.06006	10.0
184.11545	0.4
188.07062	19.7
189.07430	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93496	2.1
56.94308	5.6
62.32545	0.5
63.00190	0.5
69.46175	4.7
70.95860	11.6
72.93782	43.0
81.03426	0.5
83.01297	0.7
84.04490	2.8
85.02865	0.8
88.11246	1.1
88.96391	0.7
88.96893	8.0
89.94018	2.4
90.94819	25.6
100.03958	0.6
102.94823	2.5
104.96341	0.8
106.97921	2.8
107.95058	1.4
108.95862	11.7
111.98464	2.0
113.96393	24.8
116.96351	20.4
118.94276	2.4
120.95824	1.8
122.97396	0.8
125.96102	3.1
128.96304	0.7
129.99487	1.2
131.97433	20.6
132.05002	0.5
132.95811	1.8
134.97391	35.8
136.95306	5.4
144.95831	6.4
146.97383	6.9
148.97702	0.7
149.98416	0.6
150.88283	0.5
150.96892	1.9
152.98459	1.4
154.99019	5.6
155.97391	0.9
157.98997	8.5
159.96956	0.7
162.96887	6.0
164.98450	100.0
165.98692	1.2
167.97385	1.0
169.99016	1.9
170.11789	1.2
188.00046	22.7
188.07120	0.6
188.09222	1.3
189.00339	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
54.56010	1.7
55.01841	2.0
55.05495	4.6
56.96553	2.7
57.07059	4.9
66.67924	1.8
67.05495	9.4
69.03415	8.5
69.07047	3.5
71.05011	2.1
71.08600	2.4
71.59653	2.3
79.05492	7.3
79.60060	1.7
81.03417	13.3
81.07062	8.8
83.01338	3.5
83.08609	2.6
84.04526	9.3
85.02866	6.1
86.03251	2.5
88.02223	11.0
88.11255	2.7
91.05480	24.9
93.07034	5.6
95.08598	6.2
97.02892	2.4
99.04453	4.2
99.05571	3.0
100.03996	3.0
105.07040	21.0
107.08556	5.5
109.02913	3.1
113.00023	7.9
117.07030	24.1
119.08569	15.2
121.10121	3.2
127.03979	2.4
127.05853	3.0
129.06966	4.6
130.07837	4.5
131.08568	59.2
133.09206	2.0
133.10124	4.5
140.48596	1.7
143.08575	5.1
144.09271	1.7
145.10115	100.0
146.10477	3.5
148.75087	1.6
155.78287	1.6
158.10852	2.3
159.06949	2.4
159.11688	13.8
170.11829	3.2
187.07431	2.7
187.11182	7.7
187.14818	87.3
188.09207	3.6
188.15175	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	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.36399	0.5
55.05511	1.4
57.07076	5.8
57.65137	0.5
61.02914	0.6
67.05501	10.4
69.03412	2.3
69.07067	4.5
71.08631	1.2
71.59550	0.6
71.59953	0.9
79.05489	8.3
81.03405	4.8
81.07053	7.1
83.08619	1.9
83.87324	0.6
84.04510	2.0
85.02904	1.6
88.02235	2.8
88.11265	0.9
91.05477	26.4
93.07043	8.8
95.04949	1.4
95.08615	5.0
99.04433	0.6
100.03977	1.0
103.05461	0.8
105.07029	25.6
107.08602	4.8
109.10174	0.6
114.05559	0.9
115.05499	1.9
116.06226	2.0
117.07019	23.1
117.07850	1.2
119.08575	21.5
121.10150	3.6
126.05484	0.8
129.07014	5.8
130.07771	5.9
131.08565	62.2
132.08916	1.4
133.10124	4.1
141.06932	0.7
142.12245	0.7
143.08556	3.8
144.09286	3.1
145.10118	100.0
146.10497	1.8
151.63263	0.6
157.10139	1.5
158.10876	1.5
159.11684	16.1
169.10059	1.2
170.11797	0.9
172.12468	1.4
185.13208	1.0
187.07559	1.1
187.11363	3.4
187.14815	100.0
188.09120	1.0
188.12735	0.7
188.15198	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	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03941	1.8
55.01870	1.2
55.05497	4.0
55.76229	0.8
56.47604	0.9
56.96567	2.3
57.07066	2.2
67.05508	5.3
69.03432	5.8
69.07059	3.1
69.85357	1.0
71.08630	2.2
71.60229	1.0
72.32909	0.8
75.37226	0.9
79.05484	6.2
81.03429	7.1
81.07059	16.1
83.01333	3.1
83.08604	2.8
84.04489	3.4
85.02898	3.3
86.03246	1.3
86.09703	1.2
88.02219	6.1
88.11266	2.8
91.05476	14.0
93.07040	15.7
95.04967	2.5
95.08600	8.9
99.04437	1.5
100.03981	1.8
103.05441	1.1
105.07032	23.1
107.08595	10.2
109.02877	1.1
114.05535	1.6
115.05423	1.6
116.06258	2.3
117.07013	15.5
119.08585	13.9
121.10177	1.8
123.13778	1.0
127.03903	1.0
127.05894	1.1
128.06186	1.4
128.07050	1.6
129.06990	5.0
130.07776	5.9
130.74306	1.0
131.04831	1.1
131.08565	62.4
132.09180	0.8
133.10132	3.6
140.64870	0.8
143.08565	6.9
144.09302	3.3
145.10121	79.4
146.10468	2.1
157.10110	5.6
158.10895	2.6
159.11688	34.1
169.10088	1.4
169.79195	1.0
170.11806	4.7
172.08916	1.1
172.12477	4.5
176.51653	1.0
185.13138	1.3
187.03911	1.7
187.06131	1.3
187.07666	2.4
187.11258	6.2
187.14816	100.0
188.09210	1.8
188.15149	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	0.2
53.03936	0.2
54.03468	2.5
55.01870	6.9
55.05510	0.6
56.05034	4.2
56.96565	3.2
57.03432	0.5
57.07061	0.3
58.06594	0.5
59.06101	0.4
60.04516	0.4
61.02927	0.3
67.05499	0.3
68.05025	0.7
69.03434	1.5
69.07064	3.2
70.06590	0.8
70.40331	0.3
70.40726	0.4
71.04997	0.4
71.06113	2.9
71.08628	22.0
72.04509	0.8
72.08156	0.6
72.93813	0.2
73.02911	0.6
74.02425	0.2
74.06068	0.5
79.05459	0.2
81.03419	1.4
81.04537	0.8
81.07059	0.4
82.02939	100.0
82.06575	0.5
83.00893	0.2
83.01342	1.3
83.03264	0.8
83.08601	0.3
84.04501	6.6
84.08142	0.8
85.02900	2.1
85.04053	0.2
86.03226	0.2
86.06069	0.6
86.09704	13.6
87.04456	0.3
87.10018	0.3
88.02212	0.7
88.11265	65.5
89.11607	0.9
90.01563	0.3
91.05477	0.3
95.06110	1.3
95.08602	0.4
96.04491	4.4
96.08123	0.2
97.02897	1.0
97.06548	0.4
97.07619	0.4
98.06048	0.3
98.09668	0.5
98.97595	0.8
99.04529	0.4
99.05569	5.5
100.03976	0.7
100.07636	0.2
101.07136	0.8
102.05531	0.7
103.05437	0.3
105.07010	0.2
107.08562	0.2
109.02879	0.4
109.07641	0.2
110.01267	0.5
110.06066	0.4
111.04466	0.2
112.07584	0.2
113.07163	0.2
114.05510	0.6
115.05890	0.2
116.06200	0.2
116.98628	0.9
117.07037	0.3
118.06545	0.8
119.01798	1.5
119.08620	0.2
121.38118	0.2
124.11231	2.8
126.09103	0.2
127.03943	0.4
127.05845	0.4
127.08656	0.3
128.02310	1.6
129.07037	0.2
131.04918	0.7
131.08516	0.4
134.99641	0.8
137.02888	0.3
139.01799	0.2
140.02124	0.2
141.06938	0.3
141.13858	13.5
142.06499	0.2
142.08633	0.3
142.12265	0.8
144.08072	0.4
144.09233	0.2
146.06015	1.0
146.99646	0.4
151.12276	0.2
152.10719	1.1
153.00667	0.2
158.99638	0.3
159.04395	0.5
159.08046	0.3
159.11639	0.4
161.04831	0.7
164.02138	0.3
169.13356	56.7
170.06041	0.5
170.11736	1.5
170.13835	1.2
172.08926	0.2
173.00871	0.3
176.05190	0.9
179.05960	0.3
182.03178	0.3
185.05687	0.7
187.03790	1.0
187.06075	0.2
187.07573	0.6
187.11130	0.5
187.14584	0.5
188.07074	0.6
188.09160	0.5
188.12788	0.3
207.05513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.01865	4.5
55.05491	2.5
56.96567	0.6
57.03408	1.0
65.03927	1.6
67.05495	5.9
69.03428	6.2
69.07051	1.6
69.77979	1.9
69.78391	1.6
70.07381	0.7
71.04982	1.4
71.08639	0.9
72.53981	0.6
79.05488	6.9
81.03395	4.7
81.07052	3.7
82.02930	0.6
83.01335	1.5
83.04954	0.6
84.04521	1.5
85.02896	2.4
85.74112	0.7
86.03210	0.7
86.09673	0.9
87.04446	1.4
88.02191	2.8
88.11243	1.7
91.05471	11.9
93.07047	4.5
95.04961	5.2
97.02875	1.0
97.06517	1.8
99.04458	1.1
100.03970	1.0
103.05442	1.9
105.07024	27.4
107.04940	2.6
109.06486	1.1
115.05393	5.2
116.06219	1.8
117.06216	1.2
117.07011	17.7
119.04918	1.1
119.08566	7.1
121.06475	2.2
125.24232	0.6
127.03886	1.2
127.05843	1.1
128.06198	4.9
129.07001	15.1
130.07780	8.7
131.04944	3.0
131.08559	26.9
132.05768	1.0
132.08928	1.0
133.06474	1.8
141.06990	8.8
142.07748	2.3
143.08554	7.3
144.05701	5.5
144.09331	16.0
145.06480	17.0
145.10110	31.1
146.06053	1.1
146.07239	1.7
146.10463	0.9
147.08002	0.8
153.06941	1.8
154.07751	8.1
154.46210	0.7
155.06029	0.9
157.06435	3.4
157.10143	4.2
158.07272	10.9
159.04402	1.4
159.07056	0.6
159.08049	16.6
159.11674	43.1
169.10115	16.7
170.07950	0.7
170.11723	2.2
171.08096	1.1
172.05170	1.7
172.08817	24.2
172.12448	0.8
182.03279	0.6
185.09656	0.8
187.03886	2.1
187.07608	8.5
187.11165	100.0
188.11522	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78648	0.9
51.13111	1.2
53.00280	1.5
53.03936	1.9
54.03473	1.2
55.01876	7.4
55.05515	6.4
56.05034	7.1
56.96565	9.7
57.03436	6.8
57.07071	1.2
58.06603	3.3
59.06124	2.0
60.04528	1.3
61.02934	1.8
67.05502	7.0
68.05037	1.9
69.03432	6.5
69.07070	60.7
70.02946	1.4
70.06591	14.2
71.04992	3.4
71.07371	1.1
71.08622	1.8
71.58858	1.6
72.04515	19.2
72.08150	6.2
73.02924	4.9
78.99765	1.5
79.05513	2.5
80.05018	3.4
81.03424	4.1
81.07046	4.8
82.02940	3.9
82.06579	5.0
83.01344	23.2
83.04980	5.8
83.06118	1.2
84.04506	21.6
84.08146	33.3
85.02906	63.0
85.06540	1.4
85.08939	6.4
86.06084	6.6
86.09708	75.9
89.03905	6.1
90.05553	1.2
91.05479	1.6
94.06572	2.9
95.04973	2.9
95.08611	4.7
96.04485	4.3
96.08131	10.3
97.00818	4.5
97.02895	3.8
97.06538	2.9
97.07629	1.0
98.06097	5.5
98.09697	2.8
98.97587	3.7
99.04461	3.8
99.09200	1.2
100.03980	41.5
101.07159	1.1
102.05540	7.5
103.02355	1.1
103.05479	4.6
105.07021	1.8
107.08590	2.6
108.04483	4.7
109.06535	1.2
109.07660	2.4
110.06057	2.8
110.07174	2.2
111.04461	1.1
112.03975	4.1
112.07603	4.6
112.11253	5.2
113.04758	6.0
113.05986	1.0
114.05531	100.0
114.09154	2.4
116.98625	2.5
117.03415	8.1
118.05002	6.5
119.01936	4.5
121.00797	13.7
121.01644	2.6
122.06031	3.5
122.09679	4.4
123.08107	1.8
124.07587	3.6
125.09624	3.0
126.05521	50.3
126.12797	15.8
127.03944	3.2
127.08692	2.4
128.07054	1.5
129.10240	1.3
130.05014	6.9
130.06535	2.6
131.01938	2.0
131.04939	5.2
131.08575	2.1
134.99672	2.2
137.03912	1.6
138.05528	2.1
139.01822	37.1
139.02834	2.6
140.07066	7.0
140.10701	27.3
141.07085	1.0
142.04924	1.1
142.08647	2.8
143.01912	1.8
144.06567	3.9
145.02823	5.7
145.04910	1.4
158.05989	7.3
158.08107	2.0
158.11751	1.6
159.04408	1.8
161.02971	3.3
163.01813	29.6
163.03915	2.2
168.06593	4.3
168.10204	25.8
169.09764	3.3
171.02913	1.2
171.05232	1.2
181.02881	72.1
186.03603	2.6
186.05573	8.1
186.07649	15.9
186.09280	2.2
186.11220	34.3
186.14835	7.5
186.18517	3.5
187.04004	2.5
187.07567	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	186.1124
Annotation	N-Isovaleryl-L-homoserine lactone
Peak:m/z	Relative Intensity
53.03941	1.7
54.03468	0.8
55.01883	4.2
55.05508	54.6
56.05033	3.5
56.05836	1.3
56.96561	4.8
57.03432	5.4
57.07071	17.7
57.07338	1.3
58.06604	1.4
59.06128	1.5
60.04523	1.4
61.02924	1.6
67.05504	2.6
68.05019	1.8
69.03421	4.3
69.04547	1.0
69.07063	10.4
70.02962	2.0
70.06593	3.8
70.25832	1.6
70.26230	1.4
71.01348	0.7
71.04456	0.6
71.04996	1.2
72.04510	5.4
72.08151	6.4
72.93799	2.6
73.02914	2.2
74.06080	0.9
74.09721	4.1
78.99772	1.7
79.05479	1.2
80.05030	3.3
81.03400	2.9
81.07058	1.0
82.02930	0.8
82.06580	2.7
83.01330	5.3
83.04977	72.5
84.04500	31.2
84.08142	4.6
84.99219	0.8
85.02900	84.0
85.06532	1.3
85.08922	1.7
86.02451	2.0
86.06073	2.6
86.09701	17.8
87.04478	4.9
88.03975	0.9
88.07614	0.7
89.03921	2.4
90.94870	1.3
93.05778	0.9
94.06574	2.3
95.01331	2.1
95.04999	2.1
95.06107	1.3
96.04488	2.7
96.08150	1.8
97.00800	3.5
97.02898	2.1
97.07645	1.3
98.02425	1.0
98.06060	5.5
98.97573	2.9
99.04471	2.8
99.05575	0.9
100.03979	7.7
100.07618	6.3
102.05542	19.8
103.05464	0.9
104.10738	23.7
108.04485	2.5
109.02896	2.2
109.07616	1.3
110.06032	1.0
112.03999	3.8
112.07605	3.3
112.11240	1.1
113.04733	4.6
113.96416	2.0
114.05525	92.4
114.09125	1.1
115.05864	1.0
116.07085	1.0
116.98614	2.9
117.03368	3.0
118.04983	1.6
119.01881	1.8
121.00781	11.7
121.01659	2.8
122.06049	1.6
122.09680	1.6
124.03943	0.8
124.07533	1.1
126.05511	39.9
127.03896	3.2
127.04856	1.0
127.05842	1.1
127.08663	1.7
128.07039	1.2
130.04994	100.0
131.04901	0.9
131.97411	1.7
134.99623	2.4
135.04404	1.1
137.02991	0.8
137.03891	1.1
138.05438	1.4
139.01805	29.9
139.02704	2.1
140.05251	2.1
140.07037	6.5
140.10687	2.6
141.10161	1.2
142.08638	0.8
143.08105	0.8
144.06541	2.5
144.95886	0.8
145.02827	3.4
145.04956	2.0
145.98973	1.7
158.05984	2.2
158.08159	1.4
158.11778	2.9
162.03253	0.8
162.96902	1.0
163.01801	23.4
168.06528	8.4
168.07797	1.2
168.10170	4.5
169.09677	1.5
177.00693	1.0
181.02859	63.4
186.03459	1.4
186.05644	4.1
186.07610	18.7
186.11230	95.9
186.14737	5.6
186.18546	1.8
187.02429	1.0
187.04001	0.9
187.11476	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03460	2.1
55.01859	4.9
55.05507	5.5
56.05024	3.6
56.96558	4.2
57.03426	5.2
57.07075	1.4
58.06605	2.7
59.06120	1.8
60.04521	1.7
61.02940	1.1
63.02355	1.9
67.05500	5.8
68.05017	2.8
69.03436	5.7
69.07066	88.4
70.05151	6.2
70.06587	9.6
71.01368	1.7
71.04984	2.3
72.04512	24.8
72.08143	4.1
73.02908	5.6
74.02431	1.1
74.06071	1.6
79.05492	2.7
80.05022	4.5
80.12612	1.0
81.03427	3.5
81.07047	5.0
82.02937	4.5
82.04841	1.1
83.01340	26.6
83.04976	9.0
84.04505	17.1
84.08136	15.4
85.02902	50.6
85.06561	2.2
85.08913	5.9
86.06058	3.6
86.09704	100.0
87.10023	2.1
89.03914	49.6
94.06565	2.9
95.04979	3.4
95.08611	3.9
96.04507	1.7
96.08127	12.0
97.00806	2.3
97.02895	1.7
98.02431	1.3
98.06052	4.9
98.09681	2.6
99.04456	2.7
100.03977	59.5
102.05539	9.2
103.05454	18.5
105.06985	1.6
107.08589	1.9
108.04462	3.2
109.02887	2.0
109.07715	1.6
111.04399	1.6
112.03957	3.3
112.07614	3.9
112.11243	4.4
113.04740	5.3
114.05527	82.3
114.09129	2.5
116.98648	1.3
117.03376	48.4
118.04228	2.6
118.04992	11.1
121.00784	9.8
122.06006	3.0
122.09634	6.7
124.07583	2.9
125.09696	5.6
126.05515	39.2
126.12769	2.1
127.03941	2.3
130.05000	16.4
130.06494	12.7
131.03983	2.4
131.04907	21.0
135.04427	13.0
138.05504	1.2
139.01822	18.9
140.04915	2.1
140.07074	7.7
140.10699	26.2
141.05469	1.5
144.06551	2.6
145.02840	49.9
146.03477	2.1
150.09160	3.1
152.45039	1.4
158.06010	38.7
158.08034	2.1
159.04448	6.6
159.06425	1.7
163.01819	16.9
163.03856	11.4
168.06520	3.6
168.07953	1.4
168.10197	33.1
169.09731	1.8
181.02876	42.6
186.03773	1.3
186.05511	41.0
186.07599	15.7
186.11230	38.2
186.18494	3.1
187.03891	4.9
187.05971	2.2
187.07643	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
55.01868	7.7
55.05507	3.6
56.05040	2.3
56.96560	4.1
57.03432	1.5
58.02959	0.7
58.06606	1.2
59.06132	1.1
60.04524	1.2
61.02913	0.8
65.03929	0.7
65.46368	0.5
67.05508	1.4
68.05028	1.1
68.99770	1.1
69.03432	1.9
69.07064	6.3
70.02948	71.4
70.06532	5.2
71.04974	1.3
71.08627	29.3
72.04516	6.9
72.08152	5.1
79.05504	1.7
80.05019	1.6
81.03419	0.6
81.07053	1.8
82.06580	1.2
83.01350	0.8
83.04964	2.5
83.06079	2.6
83.06920	0.7
83.08632	0.5
84.04498	16.0
84.08138	3.8
85.02901	11.0
85.07668	1.1
85.08474	1.1
86.06070	1.1
86.09693	6.8
87.04481	1.1
88.07642	0.7
88.11263	54.8
89.03909	1.9
91.05500	0.8
93.07047	1.7
94.06579	0.6
95.04978	1.0
95.06089	1.0
95.08604	1.6
96.04504	0.7
97.02925	0.6
97.06556	1.1
97.07656	1.3
98.02409	100.0
98.06029	0.9
98.09641	0.6
98.97594	1.7
99.04467	0.9
100.03978	4.4
100.07635	1.2
101.06036	0.8
101.07121	0.7
102.05502	1.0
103.05476	1.9
105.07003	0.7
107.06097	0.7
107.08578	1.8
108.04443	0.7
109.07622	1.4
109.10217	0.6
110.06026	0.6
110.07154	4.7
111.04446	1.0
111.05548	1.1
111.09181	0.9
112.03959	51.3
112.07600	0.8
113.06020	0.9
113.07134	0.7
114.05524	14.8
114.06719	0.7
116.03426	6.4
116.98604	1.9
117.03397	2.6
119.01904	1.6
120.02016	0.7
120.97891	1.6
121.00765	1.7
121.01613	0.8
121.06451	0.7
121.07591	1.1
121.10123	1.2
122.05986	0.7
123.04379	0.6
123.05625	0.5
125.02454	0.5
125.06097	0.6
125.07108	1.4
125.09624	1.7
126.05513	7.7
126.06435	0.9
126.12743	0.7
127.03946	0.7
127.08673	1.2
128.06203	0.8
128.98631	0.6
129.06967	1.8
130.06517	1.0
131.04944	1.4
131.06009	0.5
131.90726	0.6
134.99669	3.2
135.04387	0.7
137.02957	0.9
138.03017	0.5
138.98936	1.9
139.01825	4.5
139.03842	0.6
139.07596	0.7
139.11195	1.9
140.07050	2.1
140.08142	0.8
140.10693	2.7
142.09732	0.6
143.00162	1.6
145.02823	1.9
149.07098	1.4
149.09583	0.8
157.06491	2.4
158.05978	2.2
161.01213	3.5
161.02361	0.6
163.01805	4.4
167.03421	0.8
167.08173	0.8
167.10651	0.9
168.07883	0.9
168.10167	18.6
168.11317	1.5
181.02864	10.8
183.04202	0.6
185.04427	1.7
185.05971	1.3
185.09225	1.0
185.10704	1.2
185.12857	2.2
185.14191	0.9
185.15358	0.5
186.05501	2.4
186.07613	2.6
186.11214	2.3
186.33727	0.5
204.74802	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
54.03466	3.8
55.01865	17.7
55.05504	5.7
56.04774	0.9
56.05032	8.8
56.96565	3.7
57.03442	0.7
57.07068	0.7
58.06583	1.7
59.06108	1.5
60.04505	1.8
60.54861	0.5
67.05495	2.4
68.05023	4.8
69.03407	0.7
69.07062	19.7
70.06580	7.4
70.53671	0.5
71.04973	0.9
71.06105	2.2
71.58064	0.8
72.04512	2.1
72.08152	5.3
74.02444	0.6
74.06066	0.8
78.76781	0.6
79.05488	1.8
80.05000	1.6
81.03397	0.9
81.04527	0.7
81.07039	1.0
82.02934	100.0
82.06563	3.4
82.94867	0.7
83.01324	1.1
83.04973	5.2
83.06084	3.7
84.04496	35.5
84.08138	10.7
85.02898	8.8
85.06538	2.1
85.08477	1.4
85.08918	0.9
86.06062	4.5
86.09696	47.6
87.22948	0.5
93.05755	0.6
93.07048	0.9
94.06573	2.7
95.04962	1.5
95.06100	1.0
95.08609	1.2
96.04482	61.0
96.08106	1.2
97.02909	0.7
97.07661	0.9
98.06047	3.8
98.97591	1.6
99.04505	1.1
99.05563	6.7
100.03973	4.2
100.07652	0.8
102.05538	3.7
102.09184	2.4
104.10732	32.6
106.06540	0.8
107.07368	0.8
107.08595	1.4
108.04475	0.9
109.02924	0.6
109.07641	0.9
110.06034	2.6
110.07175	2.4
110.09703	1.9
111.04469	0.8
111.05559	6.7
111.09180	0.9
112.04016	0.7
112.07611	1.0
113.04755	0.7
114.05513	17.2
114.09148	1.2
116.98607	2.6
119.01883	2.6
120.02070	1.9
120.97924	1.1
121.00838	0.8
121.01668	1.7
121.07620	0.9
122.05988	0.7
122.09644	6.6
123.05594	0.6
124.07573	1.7
125.06034	0.7
125.07052	0.9
126.05503	5.8
127.08655	1.2
128.98648	0.7
129.07045	0.7
129.10213	1.3
130.03502	0.9
134.99623	3.5
137.02921	1.2
138.03052	2.2
138.09201	0.7
138.98901	0.7
139.01813	1.8
139.03883	0.7
139.08693	0.7
139.12289	1.9
140.05304	1.6
140.07059	1.6
140.10727	1.9
142.08670	1.8
142.09766	0.8
143.00096	0.6
143.03546	0.6
150.09132	2.3
157.04672	1.3
157.13353	9.4
158.11755	0.8
160.99174	0.6
161.01236	1.8
163.01831	2.3
167.11781	11.6
167.13094	0.7
168.06494	1.0
168.10210	3.2
168.11215	0.9
168.11424	1.3
173.50893	0.7
181.02806	5.7
185.04498	0.9
185.09277	2.2
185.12767	5.8
186.05881	1.2
186.07642	3.0
186.11270	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.073
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
55.01852	0.4
55.05488	0.4
56.05030	1.3
56.81548	0.3
56.96560	0.5
58.06604	0.9
59.07368	0.5
60.08160	19.0
60.95850	0.8
67.04236	0.7
68.05038	0.5
70.06583	0.7
70.77921	1.0
71.07372	13.2
71.95261	0.5
77.52206	0.3
77.74573	0.3
78.07649	0.3
80.05013	0.4
81.03439	0.4
82.06589	2.4
83.04983	0.4
84.04483	0.5
84.08148	1.9
85.02886	0.4
86.09703	100.0
87.10039	1.3
94.06554	0.4
96.04493	1.3
97.03974	0.3
98.98464	17.7
100.07599	1.9
101.95029	5.4
102.96861	1.0
104.10757	4.6
106.06554	0.8
110.06071	0.5
113.82274	0.3
114.09224	0.4
116.99594	0.5
119.01929	0.4
119.96079	3.4
120.08118	0.4
120.97906	1.6
124.07597	0.4
124.99999	75.9
126.00353	0.5
129.07056	0.4
136.07541	0.3
137.36148	0.3
137.97112	4.4
138.05473	0.9
138.09140	0.7
138.98946	2.8
142.04982	0.6
143.01051	2.4
148.07574	0.7
155.98167	2.1
157.00024	0.6
160.98694	0.4
161.04732	0.4
162.00491	0.6
166.02634	0.7
166.08684	0.7
178.99771	0.6
184.07338	96.2
185.07706	1.5
185.09222	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0729
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
55.01882	0.4
55.89771	0.3
56.05027	1.4
56.96573	0.4
58.06604	0.9
60.08161	17.5
60.95834	0.7
65.64935	0.3
67.04221	0.4
68.05020	0.7
68.81898	0.3
69.07076	0.5
69.86203	2.1
70.06580	0.6
71.07372	12.0
71.72759	0.3
71.95251	0.5
79.15726	0.3
81.03417	0.6
81.07055	0.5
82.06572	4.1
83.04976	0.4
84.04522	0.5
84.08145	3.0
85.02884	0.6
86.09702	100.0
87.10032	1.2
95.04967	0.6
96.04474	1.3
98.06050	0.3
98.21400	0.4
98.98463	17.1
100.07616	2.0
101.95027	7.4
102.96855	1.5
104.10738	4.9
106.03734	0.3
106.06558	0.4
110.06026	0.5
114.09179	0.3
116.99509	0.5
119.01920	0.5
119.96063	5.4
120.01968	0.5
120.08080	0.4
120.97895	2.2
124.07625	0.4
124.23442	0.4
124.99999	77.7
126.00282	0.6
129.06934	0.5
136.07552	0.6
137.97107	7.3
138.05457	0.8
138.09128	0.8
138.98927	3.4
142.05000	0.6
143.01056	1.1
148.07634	0.4
155.98154	4.0
156.08041	0.4
157.00014	0.8
160.98692	1.4
162.00529	0.6
166.02577	0.8
166.05020	0.4
166.08621	1.9
178.99745	1.4
184.07335	94.0
184.18707	0.4
185.07652	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37194	0.2
51.59278	0.2
56.05036	0.4
56.95795	0.2
64.77939	0.2
68.44643	0.2
71.04938	0.5
82.99861	0.7
97.18238	0.3
100.02466	0.3
101.00864	13.2
102.00964	0.6
115.47384	0.2
118.03501	0.5
118.72712	0.2
119.01911	100.0
120.01999	3.6
121.01635	0.5
124.02464	1.2
134.99954	0.3
137.02945	41.5
138.03036	1.6
141.78781	0.2
142.03487	19.7
143.03616	1.6
144.03250	0.3
158.06596	0.3
160.04546	6.8
161.02943	5.6
161.04837	2.0
162.03098	0.3
162.04440	0.3
165.05069	0.2
177.00957	0.3
178.05539	0.3
179.03998	9.9
179.05624	0.9
184.04500	0.6
202.05524	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0652
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
50.01595	0.4
51.02377	1.0
53.03942	9.5
55.01867	3.4
55.05506	0.4
56.96556	0.4
59.06119	0.4
65.03938	4.9
67.05499	9.2
68.05023	0.3
68.97214	0.3
69.03427	0.6
69.07073	0.3
70.65378	0.6
70.65714	0.4
71.04989	0.3
72.63812	0.3
77.03909	2.0
79.05456	0.5
80.05013	0.3
81.03408	2.2
81.07040	1.6
82.03715	0.4
82.06583	0.4
84.04459	0.4
84.08121	0.6
85.02870	0.4
91.05460	0.6
93.03403	0.8
95.04958	100.0
95.08611	0.8
96.04494	0.6
96.05285	1.1
97.02895	0.9
97.04803	0.3
98.03666	0.4
98.06055	0.4
98.20772	0.3
98.98445	0.7
99.04435	0.4
99.06362	0.6
105.03364	0.8
105.04504	5.2
105.07038	0.3
107.08552	0.5
108.02097	0.4
109.06504	0.3
109.07614	0.5
109.08394	0.4
109.10167	0.4
110.03616	0.6
111.04427	0.8
119.01878	0.6
119.08592	0.3
121.03942	0.7
123.04417	73.4
123.11676	0.4
124.04765	1.0
125.02348	4.8
125.07047	0.4
136.07545	1.0
137.07915	5.0
140.04669	30.0
141.05080	0.3
147.11656	0.4
153.07312	1.3
155.07014	15.3
157.42278	0.3
160.04642	0.4
161.02917	0.4
165.07428	2.9
168.09416	0.3
170.49680	0.3
183.06541	3.5
183.08113	0.5
183.11501	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1539
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
53.03920	1.6
55.01867	1.4
55.05497	9.2
56.05007	1.8
56.96561	1.8
57.03414	1.9
57.07056	4.6
58.02961	37.3
67.05163	1.8
67.05503	21.7
68.05000	3.1
69.03397	3.1
69.07066	73.6
70.06575	5.5
70.07393	1.2
70.39812	4.2
79.05488	7.9
81.03419	12.4
81.06588	1.6
81.07055	23.7
82.06567	2.1
83.04984	2.2
83.08631	7.8
84.04487	3.3
84.08143	8.5
85.02892	1.7
86.06057	4.8
91.05484	6.0
93.07039	10.6
95.04937	3.4
95.08025	1.1
95.08575	6.5
96.04501	5.4
96.08107	1.2
97.02928	1.5
97.06530	5.6
97.74973	1.0
98.06048	10.2
98.97591	5.3
99.97890	3.5
100.07610	8.2
103.97176	1.2
105.07037	15.0
107.08598	21.5
109.06538	2.2
109.10153	53.2
110.10429	1.6
111.87279	1.1
112.07610	3.0
113.17525	1.0
114.09161	16.5
116.98627	5.6
117.98991	3.8
119.08614	1.2
121.10161	2.7
123.11698	7.8
124.07589	1.0
126.08296	1.5
126.09154	17.6
133.10127	29.0
134.99669	3.0
135.11682	19.2
136.00040	2.5
136.07608	3.0
138.11804	1.9
138.12784	24.9
147.11638	5.6
151.11183	10.9
152.07047	11.8
153.00699	1.1
153.12746	15.2
154.08652	1.5
154.15909	2.7
164.14359	3.6
165.12733	2.5
177.00600	1.1
182.08141	5.6
182.15396	100.0
183.15735	3.0
188.48485	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03933	2.2
54.03442	1.2
55.01862	2.2
55.05489	1.6
56.05042	1.3
56.96562	5.2
57.03432	0.9
62.04801	0.7
63.92951	1.5
65.03936	1.5
65.13701	0.7
66.94241	0.7
67.04230	2.1
67.05503	9.6
68.05019	2.1
69.03408	2.5
69.07069	0.9
70.06571	5.9
72.04505	0.9
78.95261	3.4
79.05492	10.7
80.05015	4.9
80.81007	0.7
81.03417	17.1
81.07034	2.3
82.02956	1.4
82.03741	3.1
82.06575	11.6
83.04980	1.3
83.06915	1.7
84.04514	1.8
84.08143	1.1
85.02894	2.0
86.06049	2.1
91.05480	60.1
92.05002	8.5
93.05795	6.5
93.07047	5.9
94.06570	10.5
95.04967	23.6
95.08551	0.8
96.04481	3.1
96.08109	1.4
97.02867	2.0
98.06068	4.4
98.97578	2.1
100.07555	1.0
103.05432	2.4
105.07025	1.8
105.89696	0.8
106.06548	1.1
107.04932	2.5
107.08575	3.3
108.04483	2.1
108.08128	9.8
109.06518	2.6
110.06043	6.4
112.07542	1.1
116.98601	2.2
117.05706	0.8
117.07014	7.0
117.98897	0.8
118.06528	4.2
119.01902	2.8
119.04937	41.5
119.08578	15.5
119.97898	2.4
121.06522	2.5
122.06053	1.0
122.94199	2.6
123.04426	49.8
124.07593	1.6
126.09088	0.8
128.06223	2.1
128.98608	0.8
129.02243	0.8
129.06992	3.5
131.07289	3.2
132.03244	1.8
133.03395	1.1
134.99696	1.1
135.08047	3.3
136.07573	100.0
136.11162	1.8
137.07957	1.7
140.95262	1.6
146.01112	1.0
146.09654	3.5
147.03339	0.8
147.04402	16.1
147.08040	5.6
152.07104	5.8
154.08574	1.8
158.96257	2.1
159.03166	1.4
160.04584	0.9
163.96848	1.5
164.05655	2.0
164.07076	2.9
164.10695	6.0
165.04147	1.4
165.05469	22.7
170.05215	1.8
177.00684	1.9
177.04318	1.2
181.97890	2.9
182.06703	1.2
182.08131	9.0
182.11702	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	182.0811
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
53.03929	1.2
55.05499	0.5
56.05012	0.4
56.96542	0.8
58.24594	0.3
65.03924	0.7
67.04236	0.8
67.04565	0.4
67.05494	0.7
68.05006	1.4
69.03410	1.5
70.06573	1.0
71.04997	0.4
71.05631	0.7
74.02448	1.8
79.05490	2.0
80.05007	1.1
81.03413	6.5
81.07036	0.8
82.06571	5.6
83.04946	0.5
83.88118	0.3
84.04482	1.9
85.02901	1.1
86.06061	1.8
91.05473	37.0
92.04926	0.4
92.05808	0.8
93.05785	0.5
93.07028	1.4
94.06562	1.2
95.04963	4.5
95.06068	0.5
96.04485	2.4
96.08074	0.4
97.02863	0.8
98.06040	4.1
98.97557	0.8
103.05440	1.0
107.04961	0.8
108.08131	2.0
109.06566	2.5
110.06021	1.2
111.41616	0.3
114.05548	0.5
116.98579	0.9
117.06996	1.6
118.06527	2.7
119.04933	36.7
119.08554	1.9
120.05263	0.8
121.06493	0.8
122.05947	0.4
123.04422	12.5
124.07584	1.1
129.06976	0.7
135.07941	0.4
136.07565	100.0
137.07898	1.8
147.04390	5.9
147.08072	0.6
152.07063	5.0
154.08644	2.1
164.04224	0.9
164.07080	1.7
165.05472	6.9
177.00705	0.6
182.08104	7.1
182.11775	1.8
197.49443	0.4
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
52.03179	0.2
53.03937	2.1
55.01869	0.4
55.05513	0.5
56.05024	0.2
56.96579	0.3
57.03432	0.2
57.82318	0.2
60.27992	0.2
63.49091	0.2
65.03941	0.7
67.04240	0.2
67.05512	0.8
68.05030	1.1
69.03429	1.0
70.06593	0.9
71.04881	0.3
71.05233	0.3
77.03928	0.5
79.05506	0.9
79.05955	0.2
80.05014	0.7
81.03416	5.2
81.07040	0.6
82.06574	2.5
83.04979	0.3
84.04520	1.1
85.02901	0.8
86.06062	1.5
91.05476	3.9
91.06013	0.4
93.05785	0.7
93.07052	3.1
94.06571	0.8
94.07280	0.2
95.04967	6.5
96.04486	2.0
96.08113	0.3
97.02858	0.4
98.06057	3.9
98.97578	0.7
99.04453	0.3
105.04524	0.5
108.04510	0.5
108.08126	3.1
110.06030	0.5
112.03956	0.3
114.05574	0.4
116.98606	1.0
117.98924	0.3
122.06024	0.8
123.04429	2.4
124.07606	0.8
125.02362	0.2
126.05507	2.5
134.99673	0.8
136.07574	100.0
137.07944	1.8
140.04729	1.4
140.07065	3.3
140.08179	0.5
152.07071	4.7
154.08598	0.7
155.07010	0.5
163.93480	0.2
164.07063	53.3
165.07417	0.9
177.00783	0.2
182.04459	0.2
182.08098	2.7
182.11948	0.3
182.15315	0.2
183.06564	0.2
187.04358	0.2
193.35794	0.2
201.74944	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03933	2.3
55.01862	1.7
55.05497	2.1
56.05013	0.5
56.96558	6.4
57.03439	3.0
57.03667	0.4
61.02905	1.6
63.90251	0.5
65.03920	0.7
67.04230	1.3
67.05495	2.0
68.05033	2.4
69.03425	5.4
70.05972	2.3
70.06574	3.3
71.04976	0.5
72.04494	1.0
73.02911	5.6
78.95260	0.8
79.05484	1.8
80.05015	1.4
81.03413	17.5
81.07044	1.2
82.06573	7.4
83.04974	1.8
84.04507	3.6
84.08137	0.9
84.96031	1.2
85.02897	4.8
86.06064	4.0
87.04450	0.7
89.56244	0.7
91.02446	0.8
91.05475	37.2
92.05005	1.3
92.05767	0.8
93.05775	1.3
93.07040	1.3
94.06559	1.6
95.04963	17.1
96.04491	6.8
96.08119	1.0
97.02888	4.2
98.06052	10.4
98.97563	3.9
99.04465	1.1
99.05556	0.9
100.02465	1.4
100.03988	0.8
101.00907	1.2
102.02402	1.0
103.05463	1.8
106.06558	0.7
107.04921	1.5
108.08105	3.9
109.02851	0.5
109.06512	1.6
110.06053	3.5
111.02901	0.9
112.07600	1.1
114.05522	0.9
115.02436	0.8
116.98645	3.0
117.06986	0.7
118.03542	1.5
118.06541	2.2
119.01906	5.3
119.04934	39.3
119.08548	1.2
119.97899	1.9
120.03356	0.7
120.05331	0.5
121.06501	1.7
122.06029	1.5
122.50771	0.5
122.94250	0.9
123.04422	53.9
124.04789	1.1
124.07598	2.1
125.03657	0.6
126.98821	0.5
127.03925	1.4
128.02278	0.9
128.98651	0.8
131.01884	3.8
132.03282	1.5
133.03477	2.0
134.99651	2.2
136.07568	100.0
137.02936	1.1
137.05983	0.9
137.07896	1.9
138.03406	0.9
138.05493	0.6
142.03458	0.8
143.01921	2.3
144.99840	0.8
145.03452	2.3
146.01299	0.8
147.03290	0.8
147.04391	15.9
149.02908	1.2
152.07051	13.7
154.03421	0.6
154.08621	4.3
155.01871	2.0
157.03448	0.6
158.03029	0.5
158.96266	0.8
158.99673	0.9
159.04388	0.8
160.04572	1.1
161.01566	0.8
161.02954	3.3
161.04536	0.6
163.04602	0.6
164.04256	1.9
164.05777	0.5
164.06996	2.5
165.05463	27.1
168.01454	0.9
170.05142	1.3
172.04649	0.7
173.02931	3.1
177.00720	3.3
177.02472	3.8
177.04099	0.8
178.05588	0.6
181.97858	1.5
182.04550	0.9
182.08110	11.3
182.11713	0.8
185.03027	1.5
195.01727	0.7
195.03461	0.8
195.05186	0.5
200.03993	1.1
203.04031	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
53.03945	2.5
55.01869	1.1
55.05507	6.9
56.96562	14.8
57.03423	0.8
57.07067	2.3
65.03928	0.8
67.05500	4.4
68.05008	1.6
69.03440	2.6
69.07063	1.8
69.83080	4.0
70.06584	1.5
71.05010	1.1
71.95247	2.5
79.05503	4.7
80.05009	0.9
81.03414	7.4
81.07063	3.9
82.06573	1.9
83.04977	7.5
85.02892	2.2
85.06538	1.6
86.06056	1.1
90.85349	0.7
91.05479	7.4
93.03433	0.8
93.07039	13.3
93.80180	0.7
95.04971	4.0
95.08603	8.8
96.04495	1.8
97.02875	1.0
97.06521	6.8
98.06067	4.9
98.97576	86.4
103.05453	1.5
105.06998	2.7
107.05026	1.5
107.08582	11.6
109.06504	2.1
109.10163	1.8
111.04433	12.6
111.07366	0.8
111.08044	4.6
116.98611	100.0
117.07008	1.5
117.98923	1.3
119.08583	0.9
121.06529	5.3
121.10118	2.8
122.07236	1.2
124.07613	1.3
125.05984	30.1
125.09658	0.9
126.06389	0.8
134.99649	82.0
135.08055	5.2
135.11676	11.2
136.00034	1.1
136.07607	1.1
137.04984	0.7
138.06772	3.3
139.07491	1.6
140.00186	4.1
145.10085	4.8
149.05962	2.3
149.56772	0.8
152.07088	6.5
153.00700	15.0
153.09109	1.2
153.12729	2.9
154.08621	2.2
158.01233	8.4
163.11163	6.4
176.02238	1.9
181.04935	1.9
181.08598	1.5
181.12219	40.0
182.08110	3.1
182.12541	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
50.01594	0.2
50.26974	0.2
51.94436	0.2
53.00314	0.2
53.03946	0.7
55.01866	0.3
55.05513	0.6
56.05025	0.3
56.96566	2.3
57.03429	0.3
59.06126	0.4
61.00811	0.2
63.02375	0.4
65.03934	0.5
67.02963	0.2
67.05510	0.6
67.37041	0.2
68.05028	0.9
69.03436	0.8
70.06598	0.6
70.19437	1.0
71.95269	0.3
75.43475	0.2
79.05492	4.0
80.05014	0.5
81.03410	2.7
81.04548	0.2
81.07063	0.4
82.03764	0.2
82.06590	0.8
83.04976	0.6
83.06094	0.5
84.04499	0.8
85.02913	0.6
86.06080	0.7
86.09703	0.2
89.03912	20.2
91.05478	2.4
93.03419	0.2
93.07039	1.0
94.06573	0.6
95.04969	1.4
95.06072	0.5
95.08605	0.2
96.04491	0.6
96.05641	0.3
97.02870	0.3
97.06525	0.4
97.07651	0.4
98.06056	1.6
98.07137	0.3
98.96935	0.5
98.97576	9.1
99.05556	0.3
101.07087	0.2
103.05446	0.3
105.04484	0.2
107.04943	6.7
107.08589	0.8
108.08121	0.6
109.10140	0.2
110.06059	0.4
110.91010	0.2
111.04443	1.5
111.08004	0.2
116.98611	10.6
117.03371	23.3
118.03710	0.3
119.04929	0.8
121.02881	0.2
121.06487	0.9
121.10144	0.6
122.06008	0.4
122.07133	0.6
123.04416	0.3
123.08030	0.2
123.09130	0.2
124.07558	0.4
124.08662	0.3
125.05998	0.5
125.07102	0.3
134.99655	10.4
135.04405	44.3
135.08034	0.6
136.04747	1.1
136.07567	1.2
136.08545	0.3
137.05966	0.4
138.05447	0.3
138.10263	0.2
139.03908	1.3
140.00134	0.4
140.03386	0.2
140.08176	0.3
145.02835	26.1
146.03242	0.8
149.05994	0.4
152.07082	2.0
153.00700	2.2
153.05486	0.4
153.09108	0.3
154.08582	0.4
154.09706	0.3
158.01260	0.6
163.03891	100.0
164.04257	2.2
164.07027	0.4
177.00584	0.3
181.04961	1.3
181.06361	0.3
181.08597	0.5
181.10748	0.8
181.12170	0.4
182.04437	0.3
182.08113	0.9
186.05460	0.3
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
53.03953	1.1
54.96363	0.3
55.01865	0.4
56.05032	0.4
56.96569	1.9
57.03437	0.7
59.06140	0.5
63.02372	0.4
65.03944	0.9
67.05492	0.8
68.05018	1.2
69.03433	1.1
70.00211	1.8
70.06590	0.7
79.05489	4.6
80.05013	0.5
81.03423	3.3
82.06581	1.3
83.04981	0.6
83.06116	0.8
84.04491	0.9
85.02907	0.7
86.06071	0.9
89.03920	20.6
89.64818	0.3
90.04279	0.3
91.05484	3.3
93.03413	0.4
93.07056	2.0
94.03217	0.3
94.06551	0.6
95.04965	2.1
95.06076	0.8
96.04498	1.1
97.06520	0.3
97.07629	0.6
98.06071	1.5
98.14429	0.3
98.21622	0.4
98.97583	7.0
99.05573	0.3
103.05476	1.0
107.04956	6.5
107.08586	0.8
108.08173	0.4
109.06484	0.4
109.07661	0.6
111.04440	2.0
111.08018	0.3
116.98624	8.1
117.03378	20.5
119.04913	0.9
121.06492	2.0
121.10164	0.5
122.07151	0.9
123.04435	0.6
123.05530	0.5
124.07608	0.3
124.08716	0.6
125.06033	0.4
134.99663	6.6
135.04414	44.4
135.08040	0.8
136.04794	0.7
136.07649	0.4
136.08684	0.7
137.05931	0.4
139.03918	1.9
139.09718	0.4
140.00212	0.4
140.08118	0.6
145.02843	25.6
146.03198	0.7
149.05977	0.9
150.09042	0.4
152.07109	2.6
153.00684	1.8
154.08537	0.4
158.01294	0.5
163.03905	100.0
164.04257	2.9
164.08308	0.5
166.06291	0.5
181.05016	1.7
181.06305	0.4
181.08583	2.8
181.10808	1.2
182.08185	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03927	1.4
53.80759	0.8
55.01855	1.1
55.05493	2.0
56.96562	14.6
57.03429	1.1
57.07073	13.8
57.93552	0.9
59.04984	1.8
67.05490	1.5
68.05022	2.0
69.03416	3.5
69.07055	2.1
69.44653	7.7
70.06586	2.0
71.04974	0.8
71.89279	0.9
71.95253	1.8
75.66568	0.8
76.84565	0.7
77.20581	0.8
79.05486	6.2
80.04994	1.7
81.02969	1.2
81.03414	15.3
81.07061	4.4
82.06567	2.3
83.04977	31.5
84.04487	2.0
85.02879	2.1
86.06071	4.2
91.05472	3.0
93.07033	5.5
95.04963	10.8
95.08571	1.3
96.04512	4.0
97.06525	16.0
98.06043	7.0
98.97577	41.0
105.07034	3.6
107.04932	1.9
107.08603	6.3
108.08081	1.9
110.06048	1.0
114.05531	0.9
116.97228	2.7
116.98611	61.1
117.07016	2.2
119.08537	2.7
121.06499	2.4
121.10147	8.3
122.06054	0.9
124.07590	1.8
125.05987	45.2
130.07748	1.2
134.62978	0.9
134.99648	100.0
135.08130	1.1
135.11710	5.6
136.00081	1.6
136.07545	2.2
140.00179	6.0
145.10106	6.9
147.29601	0.8
152.07060	12.4
153.00700	28.5
153.01904	1.8
154.08591	1.6
158.01248	19.4
163.03894	1.4
163.11174	64.8
164.07048	1.0
164.11479	2.3
176.02289	3.8
176.47647	0.9
181.02798	2.2
181.04994	1.1
181.08600	1.4
181.10007	1.9
181.10385	1.3
181.12218	20.9
182.08101	6.0
182.12521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
51.02374	0.3
53.03942	0.8
54.03487	0.2
55.01868	0.9
55.05507	1.4
56.05037	0.6
56.96563	5.2
57.03441	0.9
57.07064	0.7
58.06593	0.3
59.06128	0.5
63.02383	0.6
64.82793	0.2
65.03939	1.3
67.02980	0.2
67.05496	2.1
68.05023	1.5
68.99766	0.3
69.03427	1.9
69.07053	0.8
69.71812	0.4
69.72215	1.1
70.06590	1.4
70.07382	0.2
71.04993	0.3
71.06123	0.2
71.95262	0.6
73.98070	0.2
77.03934	0.4
79.05487	5.7
80.05025	0.9
80.05823	0.6
81.03412	5.5
81.04536	0.5
81.07056	1.7
82.02978	0.2
82.06575	2.0
82.07378	0.4
83.04968	1.2
83.06100	0.8
83.08604	0.2
84.04505	1.2
84.96034	0.4
85.02899	1.5
85.07665	0.2
86.06061	1.2
89.03911	20.1
90.04226	0.4
91.05470	3.6
92.05798	0.3
93.03370	0.4
93.05796	0.3
93.07032	3.1
94.06559	0.6
94.07354	0.6
95.04964	2.8
95.06075	0.7
95.08607	0.7
96.04482	1.9
96.08167	0.4
97.02885	0.8
97.06523	0.7
97.07668	0.6
98.06049	3.0
98.07156	0.3
98.97577	13.9
99.04463	0.2
99.05532	0.3
103.05476	0.6
105.03368	0.4
105.04444	0.3
105.07033	0.5
107.04947	7.7
107.08583	1.5
108.02089	0.3
108.05274	0.3
108.08112	0.9
108.08878	0.3
109.06490	0.7
109.07643	0.7
110.06062	0.5
110.07116	0.3
111.04408	1.6
111.08047	0.6
114.05537	0.2
114.06617	0.2
116.98613	18.3
117.03371	20.5
117.07004	0.5
118.03725	0.5
118.06582	0.3
119.04935	0.7
119.08582	0.5
121.06490	1.7
121.10122	2.5
122.07114	0.8
123.04443	0.6
123.05563	0.3
123.08039	0.6
124.07591	0.8
124.08687	0.4
125.05973	0.7
125.07115	0.3
128.98653	0.4
131.00128	0.2
133.02751	0.2
134.99652	25.3
135.04405	45.5
135.08044	1.0
135.11676	0.8
136.04749	1.1
136.07602	2.1
136.08607	0.4
137.05943	0.9
137.06906	0.2
137.09563	0.4
138.06650	0.5
139.03938	1.0
139.07520	0.3
139.09790	0.5
140.00179	0.5
140.08177	0.8
145.02837	25.6
145.10117	0.5
146.03197	0.7
147.04416	0.2
149.01234	0.5
149.02310	0.3
149.05956	0.7
151.03888	0.2
152.05847	0.3
152.07057	4.5
153.00694	5.7
153.01895	0.4
153.05540	0.3
153.07188	0.2
153.09128	0.4
154.08690	1.3
154.09732	0.3
158.01253	2.3
158.99695	0.3
163.03891	100.0
163.11139	1.1
164.04266	2.6
164.07031	1.0
164.08200	0.5
164.94766	0.2
166.06242	0.3
167.00352	0.3
171.06525	0.3
176.02290	0.5
177.00685	1.0
181.03583	0.4
181.05138	2.1
181.06422	0.5
181.08498	1.8
181.10754	1.1
181.12253	0.8
182.04514	0.5
182.08109	2.2
186.05505	0.3
196.66850	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.9907
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	4.2
71.12861	2.2
71.13233	1.8
71.16408	1.0
98.82915	1.3
98.97563	4.0
100.02506	1.4
116.01989	1.2
116.93349	1.0
116.98615	5.0
118.03562	1.2
118.39424	1.0
119.01874	1.5
131.01891	2.6
134.02959	2.4
134.99651	4.8
138.96356	5.5
142.98936	1.6
151.99460	2.5
153.00633	1.2
156.97473	78.9
157.03439	2.2
157.04614	1.2
157.48961	1.0
157.51398	1.1
157.97592	2.3
161.98044	2.1
163.06281	1.1
164.42947	1.4
165.99118	1.4
174.98528	100.0
175.98643	2.8
179.99060	57.0
180.99142	2.6
198.00130	50.2
199.00182	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
51.32042	0.3
53.03956	0.6
54.03497	0.3
55.05517	0.3
56.96576	0.7
63.02380	0.5
65.03934	0.3
68.05035	0.6
69.03441	0.4
69.63985	2.0
70.06596	0.3
79.05492	3.1
80.05017	0.3
81.03417	1.6
81.07027	0.4
82.06577	0.7
85.02904	0.4
86.06054	0.3
89.03915	16.4
91.05470	1.6
91.65468	0.2
93.07040	0.5
95.04977	1.2
95.06100	0.2
96.04514	1.0
97.06506	0.3
98.06059	0.8
98.97581	2.7
107.04950	5.8
109.07690	0.3
111.04453	0.9
116.98617	2.7
117.03378	18.0
118.03735	0.6
119.04963	0.3
121.06527	0.6
129.35094	0.3
134.99672	2.3
135.04414	40.9
136.04764	0.8
136.07570	0.3
137.06004	0.3
139.03893	1.1
145.02844	23.6
146.03169	0.5
146.58321	0.3
152.07045	1.1
153.00656	0.5
153.09151	0.3
154.08566	0.3
163.03899	100.0
164.04268	2.3
181.04951	0.9
181.06343	0.4
181.10849	0.8
181.35637	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.71149	0.6
53.03941	1.8
54.23846	0.6
55.01862	2.1
55.05511	8.2
56.96564	7.5
57.03439	4.0
57.07063	2.3
63.60909	0.6
65.03935	1.4
67.05499	33.5
69.03421	2.3
69.07060	9.1
70.98112	1.8
71.04982	7.0
71.05318	1.3
79.05486	25.7
81.03422	3.1
81.07050	100.0
82.07397	1.4
83.04984	3.7
83.08611	3.9
84.01534	0.6
85.06527	4.6
88.99153	1.3
91.05473	22.5
92.05814	1.0
93.07037	28.6
94.76785	0.6
95.04968	4.2
95.08599	71.4
96.04504	1.1
96.08908	0.9
97.06521	14.6
99.08085	6.6
101.70597	0.7
105.07020	20.5
107.08589	11.6
109.06510	4.7
109.10161	4.5
111.08069	6.3
117.07036	0.9
119.04933	2.0
119.08573	30.3
121.07675	0.8
121.10150	7.7
123.04426	1.2
123.08082	6.0
123.11738	1.1
128.01091	0.5
133.02696	0.9
133.10121	18.8
135.11682	13.4
137.09618	2.7
137.13213	1.0
144.02541	3.2
147.04410	3.8
151.11157	1.1
151.14815	0.7
155.53246	0.8
159.11760	0.6
161.05978	1.5
161.13243	45.8
162.13560	1.1
163.03905	9.5
179.03389	3.0
179.06831	1.2
179.10735	1.6
179.14297	55.6
180.10318	0.8
180.14638	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02366	0.9
52.44757	0.8
53.03930	3.0
55.01871	4.3
55.05508	10.9
56.96554	2.9
57.03428	7.1
57.07066	1.7
65.03938	1.2
67.05501	41.0
68.05026	1.2
69.03407	2.4
69.07060	10.8
69.70186	2.4
69.70604	2.5
71.04978	4.3
79.05488	30.6
81.03408	5.2
81.07052	100.0
81.99845	0.8
82.07395	1.6
83.04977	8.4
83.08611	4.3
83.76944	0.9
85.02905	1.3
85.06537	7.8
91.05473	35.8
93.07037	41.5
95.04961	6.5
95.08600	75.8
96.04479	2.3
96.08922	1.7
96.32505	0.8
96.51324	0.8
97.06528	17.3
99.08085	10.4
103.05452	0.8
105.03376	0.8
105.07027	42.1
106.07244	0.9
107.08588	19.7
109.06521	7.0
109.10140	7.7
110.07239	0.8
111.08086	6.5
113.09628	0.9
117.07013	3.7
119.04934	7.6
119.08575	58.4
120.08900	2.2
121.10130	17.5
123.04443	1.6
123.08057	10.6
123.11661	1.7
129.56181	0.7
131.08583	1.3
133.02808	1.1
133.10123	40.4
134.06004	1.6
135.04430	0.9
135.08022	1.3
135.11682	32.9
135.38258	0.9
136.05214	1.4
136.12022	1.1
137.05917	0.9
137.08202	2.0
137.09608	5.4
137.13222	2.6
147.04407	9.9
147.50418	0.8
149.13242	0.9
151.03871	1.2
151.11099	1.5
159.11765	0.9
161.05991	2.3
161.13249	85.1
162.13608	3.1
163.07463	0.8
179.03450	7.2
179.07158	4.1
179.08424	1.4
179.10767	2.2
179.14297	85.5
180.06413	0.9
180.14635	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	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03938	2.8
55.01875	4.6
55.05508	8.5
56.96558	3.9
57.03434	4.2
57.07064	1.7
65.03947	0.9
67.05501	35.6
69.03424	2.2
69.07066	8.0
71.04333	1.1
71.05000	7.1
76.19403	0.8
79.05489	29.4
81.03403	4.7
81.07053	100.0
82.07372	2.0
83.04982	5.8
83.08624	4.9
85.02903	1.3
85.06538	5.5
91.05476	29.1
93.07037	33.1
95.04969	5.6
95.06096	1.0
95.08603	63.0
96.04475	1.9
96.08907	1.2
97.06531	18.4
99.08094	7.7
105.07027	24.1
107.08598	12.0
107.11613	0.8
109.06512	5.6
109.10155	4.7
110.47753	0.8
111.08067	5.1
112.79168	0.9
113.09663	1.0
113.25754	0.7
113.69743	1.0
117.07006	2.5
119.04211	0.8
119.04955	5.5
119.08575	36.3
121.10136	11.0
123.04424	1.9
123.08081	8.2
123.11686	1.7
131.08556	1.1
133.02786	1.3
133.06448	1.3
133.09108	1.2
133.10118	24.8
135.11693	19.0
137.08144	1.1
137.09616	4.3
137.13208	1.2
147.04414	7.9
151.09941	0.9
151.11176	1.6
159.11644	1.4
161.05943	2.5
161.13254	54.5
162.13583	2.1
179.03400	4.7
179.06857	2.8
179.10751	2.7
179.14305	64.8
180.06567	1.0
180.14703	1.3
187.13832	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.0
55.01862	2.2
55.05511	10.2
56.96566	1.3
57.07063	1.8
63.02374	1.6
65.03922	1.0
67.05502	7.4
69.03439	3.8
69.06725	1.1
69.07065	19.8
70.93632	2.4
71.05003	1.0
76.12269	0.8
77.03898	0.9
78.04700	4.2
78.05132	0.8
79.05491	14.6
81.03404	1.5
81.04535	1.3
81.07049	18.0
81.08985	0.8
83.04958	0.7
83.08618	12.0
89.03912	49.8
90.04254	1.1
91.04962	1.5
91.05480	21.1
92.05790	0.9
93.07042	36.6
95.04953	5.7
95.08604	30.6
97.10155	2.2
98.98452	2.7
103.05460	5.8
105.03427	1.8
105.07028	11.0
106.04165	8.0
107.04933	2.5
107.08589	60.9
108.04500	3.8
108.08897	1.3
109.06502	2.4
109.07664	1.1
109.09452	1.0
109.10148	11.2
110.60121	0.8
114.05521	2.5
115.05476	1.0
117.03373	82.6
117.06999	2.6
118.03709	3.3
119.04955	1.7
119.08562	4.7
120.08100	3.7
120.08856	0.8
121.02873	1.1
121.06521	9.2
121.10137	79.6
122.10470	1.1
123.08090	1.2
128.06177	0.7
129.06990	2.0
131.01884	1.2
131.04906	3.3
131.08574	6.7
133.10130	3.6
134.03632	12.6
134.99622	1.0
135.04430	11.7
135.08032	3.7
135.10710	1.2
135.11696	16.4
144.09355	1.8
145.02838	100.0
146.03172	3.9
147.04332	0.9
149.02313	3.6
149.05980	31.2
149.09598	1.9
149.13240	6.3
150.06401	1.2
157.10049	0.9
158.06087	0.9
159.04422	1.7
159.11687	10.7
162.03127	4.8
163.03958	4.5
177.05466	37.0
177.09009	4.9
177.11269	0.9
177.12753	15.0
177.16383	38.4
178.04890	1.2
178.12207	1.3
178.16605	1.1
186.05472	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03950	1.4
55.01868	2.2
55.05511	6.8
56.96575	1.4
57.03431	9.1
57.07073	1.6
61.92906	0.5
65.03951	1.4
67.05502	37.4
69.03428	2.1
69.07064	10.1
71.04988	3.7
71.36716	0.5
71.37051	0.8
72.26098	0.5
77.03935	1.0
79.05489	25.4
81.07053	95.7
82.07391	1.1
83.04982	7.1
83.08618	3.4
85.06541	8.8
86.19447	0.5
86.97324	0.5
91.05477	27.8
91.62998	0.5
93.06569	0.5
93.07040	39.5
95.04948	4.1
95.08602	77.2
96.08953	1.0
97.06526	18.7
99.08084	10.1
105.07023	34.2
106.07377	0.8
107.08588	17.4
109.06509	5.4
109.10156	6.6
110.06942	0.6
110.49080	0.5
111.08080	6.7
113.09633	0.9
117.07008	3.1
119.08575	55.0
120.08904	1.1
121.10137	17.1
121.11032	0.9
122.10477	0.6
123.08083	9.2
123.11691	0.9
127.07598	0.6
131.08528	1.0
133.10123	32.1
134.10468	1.4
135.11690	33.5
136.12021	0.7
137.05937	0.7
137.09586	3.5
137.13249	2.0
147.04474	0.9
151.11215	1.3
151.14818	1.1
159.11676	0.9
161.13246	92.8
162.13618	1.9
179.03400	0.9
179.14304	100.0
180.14656	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.02364	1.3
53.03927	1.7
55.01862	3.9
55.05504	11.6
56.96561	10.2
57.03417	3.3
57.07050	3.4
65.03929	1.7
67.05500	12.5
69.03422	1.9
69.07063	49.4
69.47654	5.9
71.04961	1.9
78.04705	1.7
79.05484	23.6
79.05920	0.8
80.05825	1.0
80.66562	0.7
81.03390	1.6
81.07052	22.1
83.04964	1.5
83.08611	13.4
84.08138	2.4
85.22433	0.7
87.05439	0.8
88.02204	1.3
89.03909	9.5
91.05475	26.0
92.05814	1.5
93.07036	45.7
94.07355	1.5
94.90022	2.6
95.04965	6.4
95.08598	45.1
96.08877	1.0
97.06515	2.2
97.10125	1.3
98.98468	6.4
103.05439	10.2
105.07021	19.1
106.04168	6.4
107.04945	3.6
107.08585	63.7
108.08878	1.3
109.06500	4.1
109.09453	1.7
109.10147	19.9
115.05444	2.1
116.06194	1.1
117.03371	12.3
117.07014	15.7
118.96730	1.2
119.04964	1.8
119.08554	6.4
121.02892	1.4
121.06518	9.4
121.10131	100.0
122.05988	0.8
122.10416	1.4
123.08035	1.0
123.11704	1.1
129.06984	2.8
130.07784	2.4
131.01884	2.7
131.04890	4.5
131.07579	1.3
131.08556	21.5
132.08005	1.0
133.06487	3.7
133.10123	15.9
134.03632	5.4
135.04401	1.6
135.08063	5.6
135.10677	1.6
135.11674	21.0
144.09354	2.6
145.02838	11.7
147.11670	0.9
149.02246	4.8
149.04903	1.5
149.05981	15.5
149.07095	1.6
149.09608	3.7
149.13257	8.2
150.05464	1.3
153.93665	5.3
154.03482	1.2
159.04408	1.8
159.07994	2.9
159.11668	13.5
160.11966	0.9
162.03069	3.8
163.03877	1.7
171.94737	1.8
172.95226	3.6
177.03880	1.0
177.05420	21.1
177.09018	7.0
177.12779	25.6
177.16371	71.1
178.04919	2.2
178.08643	2.2
178.13188	1.0
178.16698	2.4
190.95361	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	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
50.02400	0.5
53.03949	2.2
53.12240	0.5
55.01868	0.9
55.05510	19.5
56.96564	2.4
57.07080	3.3
65.03946	1.0
67.05502	14.8
69.03423	0.8
69.07067	35.2
69.48725	4.7
69.91164	0.6
71.05004	0.6
71.08632	1.8
72.76102	0.5
77.03912	1.1
78.04709	2.0
79.05494	28.3
79.65180	0.5
81.07056	33.7
83.08617	18.9
89.03915	9.8
90.04220	0.6
91.05479	17.6
93.07045	61.2
95.04977	4.3
95.08604	65.3
96.08916	1.0
97.06503	0.8
97.10180	5.1
98.19751	0.6
98.97598	0.7
98.98455	1.8
103.05462	2.8
105.04482	1.0
105.07024	8.5
106.04177	5.8
107.04962	1.1
107.08593	76.6
108.08919	1.8
109.06524	3.3
109.10153	26.2
116.98627	1.2
117.03378	15.2
117.04220	0.7
117.07015	2.9
119.04966	0.8
119.06052	0.6
119.08576	3.6
121.06506	6.6
121.10142	100.0
122.10486	1.8
123.08073	0.9
123.11739	1.4
131.01906	1.0
131.04953	1.9
131.08551	5.9
133.07596	0.5
133.10133	4.3
134.03613	3.2
134.99649	1.0
135.04443	1.7
135.08058	2.0
135.11693	32.5
137.34650	0.6
145.02844	20.3
147.11679	1.7
148.12447	0.8
149.02330	2.6
149.05974	9.3
149.09618	2.7
149.13258	11.9
150.06325	0.8
159.08046	1.2
159.11703	3.7
162.03098	2.1
162.06857	0.7
163.03946	1.2
177.05467	13.5
177.06833	1.2
177.09091	6.6
177.12871	7.5
177.16385	89.0
178.04861	0.8
178.08655	1.0
178.16805	2.9
186.05457	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.00323	0.5
53.03951	2.7
55.01868	1.4
55.05256	1.0
55.05509	13.0
57.07073	2.4
65.03941	1.5
67.05503	48.2
68.07262	0.5
68.57774	0.5
69.07063	9.8
69.92802	0.5
71.08624	1.1
71.59467	0.9
72.90938	0.5
77.03954	0.5
78.04723	0.5
79.05491	65.6
80.05810	0.9
81.07056	39.3
82.07389	1.2
83.04992	1.2
83.08618	8.6
86.16378	0.5
88.02246	0.7
89.03922	1.3
91.05481	18.1
92.05810	0.8
93.07043	81.8
94.07368	1.7
95.04981	6.3
95.08604	48.6
95.68682	0.7
96.04472	0.7
96.08938	1.1
97.06526	2.0
97.10168	2.7
98.98489	2.7
99.08108	0.9
103.05492	1.3
105.04514	1.5
105.07014	6.9
107.04926	1.5
107.08593	46.1
108.08941	1.0
109.06496	2.2
109.10155	19.4
111.08085	0.7
111.11760	0.6
117.03403	2.3
117.07014	5.2
119.08570	2.7
121.06512	2.0
121.10140	100.0
122.10482	2.1
123.11680	0.7
131.04956	0.7
131.08566	6.5
133.10135	6.1
134.03560	0.7
135.08070	1.7
135.11690	39.8
136.12073	0.9
145.02843	2.1
149.02341	2.6
149.05968	1.8
149.09689	1.2
149.13249	5.1
150.05435	0.7
159.04366	0.7
159.11688	8.5
162.06674	0.7
177.05461	2.8
177.06766	0.7
177.09108	1.6
177.10428	0.8
177.12778	18.1
177.16385	46.8
178.04967	1.1
178.13080	0.7
178.15578	0.6
178.16838	1.2
193.42451	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1636
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.02368	1.2
51.18316	0.8
52.16407	0.8
53.03936	2.6
55.01873	1.8
55.05511	11.8
57.07065	1.5
59.58926	0.8
65.03922	2.0
67.05500	44.2
69.07063	10.8
69.49705	7.0
74.38750	1.0
75.09809	1.1
79.05490	62.3
81.03400	1.5
81.07053	38.5
83.04957	0.9
83.08611	9.0
88.02199	1.1
89.03889	3.6
91.04906	0.9
91.05470	18.4
93.07040	78.1
94.07359	1.4
94.85020	1.0
94.90028	1.6
95.04977	6.9
95.08603	53.0
96.08907	1.0
97.06499	2.7
97.10149	3.5
98.98450	2.6
99.08086	1.1
105.07029	8.0
107.04941	1.5
107.08589	41.9
108.08913	1.3
109.06516	2.7
109.10148	19.3
117.03369	4.7
117.07043	4.3
119.08572	1.9
121.06551	1.3
121.10139	100.0
122.10446	2.0
123.11658	1.5
131.08585	6.3
133.10120	8.1
134.03517	0.9
135.04372	1.0
135.08031	1.9
135.11694	33.4
145.02838	6.8
149.02313	5.0
149.05989	4.5
149.09612	1.4
149.13251	6.0
150.05453	1.4
153.93715	2.1
159.11714	8.3
161.09657	2.1
171.94637	1.3
177.05399	4.9
177.09135	3.3
177.12767	19.7
177.16377	43.7
178.05034	1.6
178.16862	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1637
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
50.01618	0.6
53.03942	2.3
55.01866	2.3
55.05510	11.5
56.96547	2.6
57.03426	0.6
57.07072	1.4
59.01280	0.6
63.02365	0.8
65.03915	1.3
67.05506	8.3
69.03422	2.2
69.07065	24.1
71.05009	1.0
77.03931	0.8
78.04684	3.5
79.05054	1.4
79.05489	18.7
81.03401	0.9
81.07055	18.7
83.04974	1.2
83.08614	15.0
84.05532	0.7
89.03912	41.9
90.04246	0.9
90.72585	0.6
91.05471	18.6
93.07039	39.5
94.07384	0.9
95.04965	4.9
95.08601	36.9
97.06498	1.7
97.10187	2.2
98.04736	0.6
98.30952	0.7
98.97577	1.2
98.98466	3.0
103.05463	6.8
105.04501	1.7
105.07022	14.1
106.04165	8.8
106.06442	0.8
106.07862	0.9
107.04944	2.3
107.08588	70.5
108.08915	1.6
109.06521	2.2
109.10151	11.2
114.05515	2.1
115.05483	1.0
117.03372	72.0
117.07014	4.9
118.03707	2.0
119.04944	1.3
119.08553	5.3
121.02874	1.2
121.06505	8.1
121.10136	100.0
122.10491	1.7
123.08112	1.8
124.05231	1.7
129.07011	1.5
131.04910	2.4
131.08575	8.0
133.10164	5.4
134.03629	10.4
134.99640	0.9
135.04431	7.2
135.08051	3.7
135.11693	17.3
144.09276	1.1
145.02838	90.1
146.03175	3.9
149.02324	3.4
149.05971	26.4
149.09590	1.9
149.13257	6.9
150.06342	1.7
158.06012	0.8
159.04352	0.9
159.08035	1.0
159.11687	10.0
162.03151	3.8
162.10280	0.7
163.03905	3.8
177.05457	28.3
177.09023	5.8
177.11299	0.9
177.12750	18.7
177.16370	51.4
178.04865	1.6
178.08551	1.3
178.16669	1.0
186.05484	2.1
188.22194	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0909
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene
Peak:m/z	Relative Intensity
51.21569	0.8
52.11412	1.0
54.56721	0.9
64.65022	0.8
65.34382	0.9
66.99106	0.8
69.03416	2.4
69.84307	0.9
71.16978	2.4
73.57538	0.8
81.07059	0.9
83.01321	6.5
91.05482	5.1
94.90723	0.9
95.06064	1.3
97.02872	3.4
105.07016	1.3
107.04956	1.8
107.08595	2.1
108.43847	0.9
109.06510	7.7
109.10130	1.5
115.05424	1.3
116.06223	1.5
121.06496	40.5
121.07372	2.0
121.10131	2.5
131.08560	6.2
133.06454	0.9
136.08612	2.1
137.05952	2.8
141.07030	1.0
144.05692	1.5
147.04370	1.3
149.09608	35.1
150.09988	0.9
153.93744	2.4
159.08043	6.5
162.06758	9.8
170.70532	1.0
177.09090	100.0
178.09445	3.1
198.34258	0.9
198.77997	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03939	4.3
55.01885	5.2
55.05510	19.8
56.96565	2.0
57.03442	1.6
57.07074	2.3
59.82604	1.1
65.03928	3.8
65.94688	1.1
67.05504	20.5
68.99811	1.0
69.03426	3.6
69.07069	16.3
69.96371	5.5
71.04992	3.6
77.03895	1.2
78.04700	2.8
79.05491	41.6
81.03421	1.5
81.07058	28.6
82.69606	1.1
83.04989	9.2
83.08623	9.2
89.03922	23.1
91.05479	87.1
92.05809	2.5
93.07043	58.8
95.04971	9.8
95.08610	26.7
97.06517	4.0
97.10166	3.1
98.98464	3.4
103.05472	7.7
105.07033	92.7
106.04166	10.0
107.04964	4.7
107.08591	52.5
108.08958	1.0
109.06510	4.5
109.10152	10.3
111.08096	2.3
114.05493	1.7
115.05453	13.5
116.06251	5.8
116.98679	1.4
117.03387	28.1
117.07019	66.3
118.06609	5.1
119.04961	1.3
119.06879	7.6
119.08589	19.4
121.02831	1.2
121.06508	19.5
121.10140	46.0
122.06061	1.6
123.08076	1.6
128.06229	2.2
129.07007	24.0
130.07811	14.3
131.01938	3.0
131.04927	3.1
131.08569	100.0
132.08022	1.5
132.08916	3.4
133.06558	2.2
133.08498	2.6
133.10129	91.0
134.03650	6.3
134.04489	1.0
134.07275	1.0
134.10464	1.3
135.04414	4.5
135.08055	9.2
135.11699	18.6
142.07785	3.2
143.08563	2.5
144.09349	18.9
145.02846	37.5
146.03323	1.7
146.10873	1.6
147.04485	1.1
147.08075	2.0
147.09969	3.7
147.11705	5.9
149.02364	4.1
149.05981	19.6
149.09628	13.9
149.13258	8.8
153.00461	1.4
157.10159	2.5
159.08067	2.5
159.11690	56.9
160.12004	2.0
162.03128	3.8
162.06763	1.5
163.03983	1.3
172.95317	1.3
177.05453	22.0
177.06793	1.5
177.09149	13.8
177.12758	80.5
177.14673	46.5
177.16391	31.5
178.08607	1.3
178.13100	4.0
186.05544	1.2
190.95291	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1272
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
52.48198	0.9
53.03941	1.4
55.01875	1.4
55.05508	5.0
58.95618	1.0
67.05501	11.1
69.03422	2.0
69.07052	2.9
70.13145	2.2
70.13537	2.0
71.04979	2.4
79.05487	18.6
81.07054	11.3
82.62554	0.9
83.04960	3.8
83.59779	0.9
84.28749	1.0
91.05473	49.7
93.07035	20.3
95.04959	4.8
95.08584	4.2
97.06530	7.1
97.43609	0.9
103.05468	2.0
105.07024	58.4
106.07370	1.8
107.04931	2.0
107.08583	16.9
109.06495	2.1
115.05452	7.6
116.06226	3.6
117.07010	56.7
119.08575	13.8
121.06494	2.5
121.10142	3.6
124.84246	1.0
128.06160	1.1
129.06996	16.5
130.07790	10.4
131.08562	100.0
132.08887	3.6
133.10121	91.1
134.10464	1.6
135.08055	3.3
135.11665	6.3
142.07794	1.5
144.09338	17.4
146.10884	1.3
147.11656	3.6
149.09583	2.3
149.13220	3.6
149.79556	0.9
153.08072	1.1
157.10112	3.3
159.11678	68.3
160.11989	3.0
177.12735	68.5
178.13087	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02353	1.2
53.03938	6.2
55.01873	6.1
55.05506	30.1
56.96552	4.5
57.03428	7.3
57.07076	5.6
60.95845	2.7
65.03925	2.7
67.05167	1.7
67.05501	22.0
69.03425	9.3
69.07061	37.2
70.04950	5.8
71.04982	8.7
71.08613	1.2
77.03897	1.4
77.60033	1.1
78.04698	3.3
79.05488	60.5
80.05814	2.1
81.03384	1.0
81.07054	42.7
83.04971	5.3
83.08607	10.2
84.08935	1.3
85.06539	2.6
89.03908	7.4
91.05476	56.8
92.05767	1.2
93.07037	100.0
94.07354	2.0
95.04967	17.0
95.08041	1.8
95.08603	23.8
97.06503	4.8
98.98442	3.9
103.05464	7.3
105.07021	41.7
106.04164	9.8
106.07260	1.4
107.04943	12.9
107.08588	69.7
108.08884	1.4
109.06508	15.1
109.10140	3.0
115.05437	6.8
116.06238	1.3
117.03368	13.1
117.07009	34.8
119.06055	1.5
119.08575	23.3
121.06498	30.5
121.10136	28.6
122.07275	2.3
123.08054	3.1
128.06120	1.3
129.06989	8.2
130.07794	7.8
130.49965	1.0
131.01903	2.3
131.04875	3.1
131.08554	39.7
133.06493	7.1
133.10136	10.9
134.03625	4.0
134.99530	1.3
135.04414	2.4
135.08040	14.6
135.11682	12.8
143.05405	4.5
144.09366	12.4
145.02844	12.7
147.04332	1.1
147.08015	1.6
147.11624	1.9
148.08833	2.2
149.02324	3.7
149.05968	13.1
149.09595	3.9
149.13252	15.7
154.05595	1.7
154.56287	1.4
157.10120	1.9
159.08090	1.8
159.11688	31.7
162.03049	5.6
172.95264	2.2
177.05438	17.7
177.09097	6.3
177.12735	64.5
177.16222	5.8
178.04961	1.1
178.08551	1.6
178.12283	3.6
197.70346	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
55.01872	1.1
55.05501	1.4
56.96569	5.2
63.02392	1.7
65.03929	1.1
67.05492	2.4
69.07052	2.4
69.72502	5.9
78.04694	3.6
79.05489	6.1
80.61224	0.7
81.07033	3.6
83.08599	1.0
89.03918	51.6
90.04272	1.1
91.05469	9.2
93.07041	7.6
94.90004	2.7
95.04962	3.7
95.08588	3.4
98.98466	7.9
103.05453	3.5
105.03370	1.3
105.06995	3.0
105.86162	0.9
106.04150	3.5
107.04980	2.2
107.08604	6.1
109.10131	1.1
117.03376	84.7
117.07018	2.2
118.03677	1.4
119.04939	1.2
121.02829	1.9
121.06495	3.5
121.10149	7.8
124.05208	1.9
125.27682	0.8
128.34679	0.8
131.01886	2.3
131.04922	1.1
131.08556	5.6
133.10110	1.6
134.03648	9.1
135.04437	10.0
135.07977	1.1
135.11650	1.6
135.92601	1.0
145.02840	100.0
146.03127	3.0
149.02321	8.2
149.05984	31.5
149.09615	1.6
153.93675	5.0
158.05978	3.2
158.76201	0.9
159.08060	1.0
159.11684	2.2
162.03145	2.7
163.03941	2.1
171.94789	1.7
172.95253	2.0
177.05444	33.0
177.06587	1.7
177.09065	4.0
177.12746	6.5
177.16411	3.3
178.04987	1.5
178.08484	1.1
186.05504	7.6
190.95258	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	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02378	0.6
53.03950	1.5
54.03472	0.7
55.01872	1.4
55.05527	0.6
56.96560	0.9
57.03408	0.6
58.53568	0.6
62.01577	0.9
63.02340	1.4
65.03935	2.0
67.05503	1.3
69.03421	1.0
69.07063	1.7
71.04983	1.7
71.58829	0.9
72.08160	0.8
78.04704	6.3
79.05488	5.3
80.04974	0.8
81.03418	1.7
81.07046	2.8
82.02926	0.6
83.04966	1.5
85.04012	1.1
87.05577	1.1
89.03912	100.0
90.04247	2.2
91.05473	15.1
93.03406	0.7
93.07038	7.5
94.06589	0.7
95.04972	5.1
95.06131	0.6
95.08601	2.6
96.04462	0.9
98.97586	1.1
98.98459	3.5
103.05473	4.4
105.03390	1.3
105.04517	0.6
105.07029	4.9
105.25365	0.6
106.04176	7.4
106.06596	0.9
107.04949	1.8
107.08594	5.4
109.02874	0.9
109.06499	1.8
109.07657	0.8
110.07215	0.9
114.05523	1.1
116.98621	1.8
117.03371	77.7
117.07024	3.5
118.03719	2.6
119.04919	2.1
119.08573	2.1
120.08102	2.5
121.02863	2.8
121.06490	7.7
121.10156	4.7
122.07211	0.9
124.05241	1.2
129.07016	1.0
131.04869	2.4
131.08566	5.0
132.08046	1.4
133.06525	0.8
133.10120	4.9
134.03624	27.4
134.99667	1.7
135.04411	38.7
135.08075	3.3
135.11644	1.0
136.04753	1.2
136.08681	0.9
137.09509	1.0
145.02837	75.4
146.03207	2.6
149.02351	4.8
149.05971	67.4
149.09579	1.8
149.13234	1.0
150.06392	2.6
150.10254	1.1
158.06079	0.7
159.04372	1.1
159.08063	1.4
159.11684	3.0
162.03107	9.1
163.03900	37.4
164.04190	1.1
177.05453	74.4
177.11345	1.8
177.12727	11.0
177.16356	1.0
178.05792	2.2
178.08582	1.3
178.10876	1.2
178.12245	1.0
186.05486	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.1281
Annotation	(-)-Echinobetaine A
Peak:m/z	Relative Intensity
50.80637	0.7
53.00293	0.9
55.05515	1.7
56.05035	0.8
56.96554	0.8
57.03447	0.9
58.02957	7.0
60.04528	1.1
61.02924	18.5
62.20864	0.7
69.03432	0.8
69.07111	0.9
70.11658	3.6
71.08630	100.0
72.04509	0.8
72.08967	1.7
78.05560	0.9
79.05489	1.2
81.07065	1.1
86.09682	1.0
88.03989	34.4
88.11266	95.3
89.03920	9.4
89.11610	1.7
91.05464	4.8
92.05798	2.8
93.07060	2.2
95.04978	1.0
97.02926	0.8
98.21359	0.9
98.97659	0.7
98.98458	1.8
99.01710	0.8
103.05452	1.4
105.07040	2.0
106.04247	1.7
106.05022	15.2
106.07370	1.5
107.08617	1.8
114.09158	1.2
116.97209	0.8
117.03371	14.4
117.07025	0.7
119.08569	2.1
120.05348	1.0
120.08153	0.9
120.08942	2.6
121.06518	1.8
130.06482	1.3
131.04945	0.8
131.08556	1.8
132.08910	1.1
133.10123	1.0
134.03641	2.7
134.10452	2.2
134.99593	1.2
135.04420	1.1
135.06647	0.8
145.02841	17.0
149.05984	6.4
149.09599	0.9
158.11761	50.6
159.12059	1.0
162.03029	1.0
163.03949	0.9
176.06938	1.7
176.12827	75.7
176.15196	3.0
176.65245	0.9
177.05418	6.9
177.06728	1.0
177.12900	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	176.1434
Annotation	Nigrifactin
Peak:m/z	Relative Intensity
53.03938	0.5
55.01865	0.3
55.05513	1.1
56.96554	0.3
65.03933	0.3
67.05492	0.8
69.07071	1.0
69.63818	0.2
70.16848	0.9
78.04686	0.3
79.05491	1.7
81.03436	0.2
81.07063	1.6
83.05000	0.3
83.08628	0.7
89.03907	1.3
91.05479	2.9
92.05802	0.4
93.04569	0.2
93.07036	2.6
95.04992	0.5
95.08607	2.1
98.98451	0.4
103.05463	0.7
105.07027	2.5
106.04168	0.7
106.07373	0.5
107.04979	0.3
107.07373	0.3
107.08587	2.9
109.10152	0.6
115.05439	0.3
116.06245	0.3
117.03379	2.0
117.05699	0.3
117.07000	1.4
118.06535	28.8
119.04915	0.2
119.06049	0.2
119.06766	0.3
119.07316	0.6
119.08606	1.1
120.04385	0.2
120.08074	0.6
120.08908	0.8
121.06489	1.0
121.10132	3.3
125.65942	0.2
129.06992	0.6
130.06505	0.5
130.07751	0.3
131.01961	0.2
131.04872	0.3
131.08553	1.8
132.08083	8.8
133.08861	3.6
133.10110	1.8
134.03619	0.4
134.09627	1.8
134.10555	0.5
135.11652	1.0
144.09314	0.6
145.02834	3.0
146.09637	9.8
147.10349	0.8
148.07523	0.3
149.02313	0.3
149.05959	1.2
149.09613	0.3
149.13237	0.6
159.11697	1.3
160.11191	0.9
161.11852	0.3
162.03101	0.3
176.14330	100.0
177.05446	2.1
177.09091	1.2
177.12766	1.7
177.14662	3.8
177.16351	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	176.1282
Annotation	(-)-Echinobetaine A
Peak:m/z	Relative Intensity
50.34973	0.9
51.54018	0.9
55.05491	1.1
56.96557	2.0
58.02962	7.5
58.55391	1.0
61.02925	19.1
69.07051	1.5
70.85489	3.1
71.08628	100.0
72.08937	2.3
74.33328	1.0
78.04714	2.2
79.05477	1.4
86.09743	1.3
88.03987	31.0
88.11265	90.7
89.03912	29.8
89.11612	2.0
91.05470	5.1
92.05806	1.8
95.04913	1.5
98.97578	1.4
98.98468	2.2
103.05449	2.1
105.07024	2.7
106.04197	2.8
106.05023	17.5
106.05708	1.9
108.05621	1.1
116.98602	3.2
117.03378	46.2
119.08608	1.1
120.08114	1.6
121.06488	1.5
130.06540	2.5
131.04926	1.8
131.08543	2.0
133.10037	1.1
134.03630	6.5
134.99667	1.1
135.04436	6.1
141.88313	0.9
145.02838	55.1
148.07600	1.6
149.05965	18.7
151.68399	0.9
158.11763	51.3
159.11874	1.7
162.03101	3.4
163.03918	3.4
176.07056	2.1
176.12820	72.0
177.05463	21.6
177.09035	1.9
177.12990	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33377	3.3
53.03935	7.9
55.01857	9.0
55.05500	6.3
56.05019	14.2
56.96560	31.7
57.03005	4.5
57.03424	5.3
57.93565	19.0
58.06597	18.9
59.06114	22.5
60.04519	33.3
60.56408	3.8
61.02917	6.7
64.42793	3.4
65.03944	15.3
67.05489	11.4
68.05022	8.4
69.03427	25.7
69.07062	10.7
70.02962	4.8
70.06590	21.2
71.04842	7.4
72.04505	13.1
72.08147	5.8
72.93801	4.5
74.06078	20.0
75.05613	6.8
75.94583	7.1
78.04723	3.9
79.05492	10.9
80.05015	8.4
81.03410	16.0
81.04527	5.4
81.07031	3.7
82.06576	30.8
83.04970	11.6
83.06104	8.0
84.04508	38.6
84.08128	17.6
85.02905	18.5
86.06054	30.6
87.04461	5.4
87.05579	9.4
87.06815	4.7
88.03980	9.7
89.03909	53.3
90.05533	4.8
91.05479	27.4
92.05006	7.5
92.05791	8.9
93.03426	5.7
93.07040	15.5
93.95650	8.3
94.06562	58.1
95.04965	27.3
96.04488	10.8
97.02883	15.5
97.06515	5.7
98.06051	28.1
98.97580	31.9
98.98463	27.8
99.05553	4.6
100.03958	7.2
100.07627	10.8
101.07125	6.3
102.05539	8.6
103.05470	15.0
104.07124	4.3
105.07032	11.1
106.04169	4.7
106.06568	6.3
107.04929	8.9
107.30696	4.0
108.04498	7.7
109.02882	7.0
109.06461	6.3
110.06034	36.8
111.04424	7.0
112.03947	5.1
112.07603	34.6
113.06019	9.6
114.05556	11.7
116.07094	16.3
116.97223	76.2
116.98592	52.5
117.03362	64.0
119.04960	4.1
120.04457	13.1
120.05602	5.6
120.08097	67.8
121.02850	19.3
121.06504	15.6
121.07610	6.7
122.06017	11.1
123.04429	4.4
128.07063	20.9
130.05026	5.1
130.06551	16.9
130.08685	7.9
131.04921	12.8
131.08382	4.1
131.99521	19.7
132.06534	6.9
133.05165	5.9
134.03656	10.8
134.06090	4.9
134.95786	6.3
134.99648	100.0
135.04510	8.0
135.05515	4.5
136.07491	4.4
140.07040	37.7
145.02837	86.0
148.03897	9.6
148.07568	21.4
148.08562	4.4
148.09676	6.2
148.96149	9.5
149.02332	28.6
149.05965	34.6
149.07040	5.2
150.05521	7.3
150.96942	6.3
152.96895	37.6
153.00682	24.4
158.01321	4.4
158.06017	8.7
158.08139	45.3
158.09467	6.4
159.04388	9.2
159.07767	4.9
161.04811	5.4
163.97021	4.4
170.98022	7.2
175.98555	28.2
176.03439	8.0
176.06979	45.7
176.09193	41.8
176.10629	9.6
176.14302	6.6
177.01947	8.5
177.05396	35.1
177.06467	5.0
177.08998	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	176.0917
Annotation	2-AMINOPIMELIC ACID
Peak:m/z	Relative Intensity
53.03932	4.3
54.03468	17.7
55.00845	1.6
55.01860	4.8
55.02974	1.9
55.05503	7.6
56.05030	17.8
56.96563	20.8
57.03426	7.6
57.93556	4.3
58.06594	16.2
59.04989	2.9
59.06121	12.5
60.04525	38.7
60.05650	8.8
61.02927	8.4
65.03923	3.6
67.05491	5.5
68.05024	17.4
69.03425	35.6
69.07053	4.9
70.02946	3.9
70.06586	96.4
71.01346	3.1
71.04986	12.9
71.06924	14.6
71.58833	1.9
72.04512	17.0
72.08161	10.5
73.02908	6.4
73.06534	2.4
74.02436	5.0
74.06081	22.5
75.05587	2.8
75.94606	3.8
79.05492	4.4
80.05005	11.1
81.03419	14.8
82.02933	4.3
82.06573	100.0
83.01321	3.5
83.04971	4.4
83.06109	1.8
83.06892	1.9
84.00888	2.8
84.04497	27.2
84.08132	36.6
85.02901	20.1
85.04022	2.8
85.08462	2.0
86.06060	21.9
87.04469	3.1
87.05573	4.6
88.03982	14.7
88.07624	12.2
89.03873	4.2
91.05476	5.7
93.07033	3.5
94.06555	15.7
95.04959	11.6
95.06059	2.6
96.01515	2.2
96.04486	7.9
97.02885	16.8
98.06049	39.9
98.97579	24.7
98.98455	11.8
99.04454	10.8
99.05577	3.4
99.06341	1.8
100.03976	6.5
100.07598	17.9
101.07111	4.4
102.05530	6.3
102.09217	4.2
103.05466	6.8
105.07072	3.6
105.96358	2.7
106.06549	2.2
107.04938	3.9
108.05563	1.7
109.02859	2.6
110.01238	2.5
110.06036	73.2
110.07162	3.4
111.06339	2.0
112.03991	2.3
112.07608	21.9
113.06021	2.0
114.05523	10.6
114.09156	2.5
115.03932	3.1
116.03465	5.0
116.07098	13.7
116.97228	33.6
116.98584	31.8
117.01832	3.2
117.03353	4.6
117.05467	1.6
117.06596	3.1
117.07447	4.8
118.05021	2.2
118.08620	2.6
119.01890	4.4
120.04452	2.8
120.08107	20.2
121.02868	4.2
121.06478	5.3
122.06023	9.4
122.07003	2.3
123.04418	2.2
128.02296	3.5
128.07077	42.8
128.81227	1.7
129.10229	8.8
130.05003	4.4
130.06552	6.3
130.08629	19.3
130.09752	6.4
130.12268	11.6
130.44009	1.6
131.01863	8.5
131.04939	3.2
131.08522	3.2
131.99535	5.4
132.04393	1.9
132.06561	6.4
134.02959	3.8
134.06030	4.3
134.07193	2.0
134.98628	2.8
134.99654	55.8
135.04382	2.2
136.07516	3.0
140.07050	18.9
141.05516	2.3
145.01100	1.9
145.02782	8.5
146.01245	1.7
146.99666	4.1
148.03899	2.5
148.07568	6.9
148.09630	9.8
148.96164	4.1
149.01245	2.8
149.02383	5.8
149.05960	9.7
149.07048	3.0
149.08202	2.1
150.96831	4.0
152.96928	15.3
153.00693	14.1
155.04677	2.6
158.01257	3.7
158.08116	78.5
159.04425	3.4
161.01253	3.3
165.00562	2.1
170.98003	3.2
175.98535	11.2
176.02211	3.3
176.06868	13.0
176.09175	35.2
176.10487	5.7
176.11823	3.0
176.14374	5.3
177.01906	2.4
177.05431	9.3
177.06683	4.6
177.08997	3.6
177.12807	3.1
189.00702	2.1
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
54.16943	0.6
55.47047	0.6
60.05650	1.6
70.06591	2.7
71.06933	3.3
71.57507	0.5
71.57935	0.7
73.37149	0.5
117.07452	1.2
130.09723	0.7
132.02109	100.0
133.02440	2.5
150.03174	2.2
176.01080	20.0
176.10364	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50183	0.4
55.01835	0.5
56.05030	1.0
56.96333	0.4
56.96561	4.8
57.03429	0.5
57.93550	1.8
58.99841	0.7
59.06103	1.6
70.82941	0.9
71.95256	0.7
72.04529	0.4
75.05602	1.0
75.94598	1.2
77.00894	0.8
79.05452	0.5
83.77932	0.4
84.04491	0.5
91.05422	0.4
93.95610	0.5
95.06087	0.6
98.00866	0.6
98.97577	12.7
98.98328	0.8
98.98466	1.1
100.02457	1.2
101.00846	1.4
101.07112	0.6
103.05411	0.6
104.02533	1.5
113.00868	0.5
116.01942	9.1
116.97259	10.7
116.98608	20.5
118.03522	8.0
119.01920	23.4
119.02853	0.9
119.03702	0.8
120.02021	5.1
120.04401	0.6
120.08099	0.8
121.01646	4.7
121.02364	0.7
121.03454	0.6
121.06527	0.4
122.03561	1.4
124.97334	0.4
130.03497	1.0
130.06544	0.8
131.01881	4.9
131.99594	2.4
132.05032	0.5
133.03470	0.9
133.04558	0.7
134.02972	100.0
134.95818	0.7
134.99655	33.2
135.02322	0.9
135.03278	3.7
136.04547	3.3
137.02971	14.7
137.04005	1.6
138.03082	3.3
138.04015	0.5
138.98871	0.4
139.02699	3.2
141.05074	0.6
142.03493	1.2
145.02731	0.5
146.03645	1.3
147.03189	0.6
148.04626	0.8
148.96161	1.8
149.02945	1.4
150.00659	0.6
150.11209	0.4
151.04602	1.0
152.02254	2.2
152.04004	25.8
152.05948	1.5
152.96930	4.3
153.00700	9.8
153.04095	1.6
154.03482	2.2
157.04599	3.1
157.97520	0.5
158.01398	2.5
158.02943	6.7
158.04205	0.6
158.04744	0.5
160.04550	1.2
164.04599	0.8
170.03261	1.0
170.97929	1.3
171.01395	6.7
171.04959	1.2
171.06168	1.1
172.01573	0.5
172.04538	1.5
175.98572	3.8
176.02327	2.4
176.04108	21.7
176.05876	2.7
176.07233	0.8
176.11819	0.6
176.14206	0.6
177.00900	1.8
177.04138	2.6
188.07153	0.5
189.02399	3.3
190.05473	0.7
194.03148	1.3
194.05109	8.0
194.06845	2.0
199.05634	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
55.05511	8.7
55.05775	0.4
56.05855	0.4
57.07065	1.2
60.05647	0.5
65.03931	1.0
67.05506	2.0
69.07066	22.9
70.06595	0.4
71.34578	0.8
77.03901	0.3
79.05492	3.5
81.07055	6.0
83.08613	4.6
91.05479	15.5
92.05786	0.6
93.07038	3.9
95.04986	0.8
95.08600	6.4
98.98464	2.1
103.05466	1.3
105.07026	29.8
106.07350	0.4
107.08587	5.8
109.06479	0.4
115.05443	1.1
116.06204	0.8
117.07002	4.3
117.63091	0.4
118.07777	0.5
119.04930	3.1
119.08575	96.8
120.08826	2.6
121.06519	0.5
121.10138	3.2
128.06198	0.7
129.03377	0.4
129.06992	2.5
131.08556	4.8
132.09331	0.8
133.06476	1.3
133.10124	84.5
134.10417	2.3
135.11694	0.9
138.60690	0.3
142.07761	1.3
145.06487	1.5
145.09033	0.7
145.10118	9.6
146.07147	0.4
146.10851	1.4
147.04379	1.5
147.08028	1.5
147.11685	14.4
148.07582	0.4
148.12041	0.7
157.06531	0.4
157.10147	0.9
158.10849	0.6
159.11671	1.0
160.05176	0.5
160.12500	4.2
173.13284	3.4
175.03867	0.8
175.07555	1.4
175.11435	4.5
175.14816	100.0
176.06940	0.4
176.11705	0.4
176.15161	4.5
187.15895	0.3
194.71098	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.3
53.03929	2.6
55.01886	0.3
55.05507	11.0
57.07080	1.2
60.05648	0.5
61.01141	1.7
62.99059	0.8
65.00625	0.7
65.03938	1.2
65.13448	0.4
66.00693	0.3
67.05500	2.8
68.05016	0.5
69.03420	1.5
69.07064	22.8
70.06579	1.7
70.07366	0.4
71.35401	0.9
71.99078	0.4
77.03897	0.4
78.03461	0.7
79.05481	4.1
81.07053	10.6
83.08608	4.6
85.01127	3.2
87.02699	2.8
89.03921	0.6
91.05476	19.0
92.05790	0.5
92.53652	0.4
93.07040	5.4
95.04942	0.8
95.08599	8.6
96.04491	4.6
97.02853	0.8
98.98463	4.8
101.04230	0.8
103.02187	1.7
103.05462	1.6
104.06239	0.4
105.03400	0.4
105.07025	39.3
106.07351	1.1
107.04959	0.4
107.08585	7.0
109.06490	0.8
109.10218	0.6
112.02183	6.5
115.05410	2.3
116.06242	0.8
116.07052	0.6
117.03728	0.8
117.06998	5.5
118.07769	0.5
119.04944	2.9
119.08575	100.0
120.08836	3.1
121.06474	0.9
121.10143	3.0
128.06229	0.6
129.06975	3.0
130.06505	0.5
131.08556	7.2
132.05707	1.0
132.09332	0.6
133.06567	2.0
133.10124	78.6
134.10393	2.3
135.07957	0.4
135.11697	0.7
142.07780	2.2
145.06467	0.7
145.10110	8.2
146.07211	0.5
146.10886	1.6
147.04442	2.1
147.08049	2.8
147.11682	13.2
157.06422	0.5
157.10152	2.2
158.10844	0.5
159.11699	0.8
160.05185	1.4
160.08797	0.7
160.12457	3.8
173.13249	2.7
175.03900	1.1
175.07535	3.4
175.11238	8.3
175.14815	96.8
176.01988	3.9
176.06961	0.6
176.11613	0.4
176.15216	4.0
188.59047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
51.58979	0.6
51.83484	0.6
53.03939	1.4
55.05509	9.9
56.96556	0.7
57.07083	1.0
60.05634	0.8
65.03949	1.4
67.05499	4.5
68.93612	0.5
69.07067	22.7
70.06577	2.7
71.42905	1.2
72.93757	0.7
73.58511	0.6
79.05486	4.7
81.07050	12.1
83.08607	5.2
88.42920	0.6
90.94838	0.6
91.05479	21.1
92.05789	0.7
93.07043	5.2
95.04948	1.3
95.08604	9.0
98.97560	0.7
98.98464	6.4
103.05486	1.3
104.06258	0.8
105.07028	38.1
106.07338	1.4
107.04949	1.9
107.08584	8.3
109.10093	0.6
115.05467	1.9
117.07002	5.9
119.04959	3.5
119.08575	100.0
120.08926	2.5
121.10136	2.7
128.06218	0.9
129.06989	3.6
130.06538	1.0
131.08566	8.6
132.05695	0.9
132.09381	1.1
132.95833	1.9
133.06496	2.1
133.10121	83.3
134.07126	0.8
134.10487	2.4
135.07930	0.8
135.11693	0.7
142.07764	2.8
145.06491	1.3
145.10124	8.2
146.10895	2.1
147.04390	2.9
147.08043	4.2
147.11681	14.4
148.08636	0.8
150.96902	2.0
151.07628	0.8
157.10089	3.1
159.11714	1.3
160.05211	1.8
160.08516	2.4
160.12491	3.6
162.58411	0.7
173.13242	2.8
175.03850	1.6
175.07503	5.3
175.11220	11.8
175.14815	95.1
176.15150	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03937	0.7
55.05257	0.9
55.05507	10.2
57.07073	1.3
65.03934	0.9
67.05499	4.1
69.07063	25.2
69.61622	4.8
71.08656	0.8
79.05483	4.4
81.07050	11.0
82.07372	0.8
83.08607	4.8
91.05473	18.1
93.07023	5.9
95.04961	0.8
95.08602	8.8
98.21526	0.6
98.98448	2.1
103.05438	1.6
104.06218	1.3
105.07022	39.8
106.07313	1.0
107.04906	0.6
107.08587	7.3
109.10165	1.1
115.05431	1.3
117.07023	5.6
119.04937	1.8
119.08570	100.0
120.08930	2.4
121.06487	0.6
121.10098	3.1
126.13240	0.6
128.06180	0.8
129.06993	2.2
130.06548	0.7
131.08560	7.6
132.05675	0.9
133.06529	1.3
133.10117	82.0
134.10460	1.9
142.07822	1.4
145.10106	8.2
146.10913	1.4
147.04323	1.1
147.08025	1.7
147.11670	13.5
148.11990	1.0
157.10115	1.3
159.11508	0.6
160.05203	0.6
160.12462	5.3
173.13248	2.3
175.07515	1.9
175.11273	8.8
175.14809	95.3
176.15099	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01333	0.4
52.93225	0.3
53.03944	1.0
55.01867	0.5
55.05511	10.4
56.96576	0.9
57.07076	1.2
60.05648	0.5
63.39699	0.3
65.03938	1.6
67.05507	2.8
67.82781	0.3
69.03408	0.5
69.07069	23.4
69.96025	1.4
69.96436	0.7
70.06592	1.8
70.07442	0.4
71.04977	0.4
72.93773	0.6
77.03902	0.5
79.05487	4.4
81.07058	9.5
83.04978	0.4
83.08618	5.7
89.03941	0.6
91.05479	21.1
93.07048	5.4
95.04971	1.1
95.08043	0.6
95.08614	7.6
98.97798	0.4
98.98455	3.5
103.05470	1.6
104.06248	0.6
105.07033	36.2
106.07357	0.8
107.04952	1.6
107.08595	7.3
109.06521	0.6
115.05468	1.6
116.07107	0.5
116.98695	0.4
117.07017	5.2
118.07738	0.3
119.04961	3.4
119.08580	100.0
120.08836	2.4
121.06493	0.4
121.10165	3.9
128.06259	0.9
129.07028	3.1
130.06523	0.8
131.08562	7.0
132.05713	0.7
132.09364	0.5
132.95892	0.6
133.06480	1.5
133.10129	84.0
134.07181	0.4
134.10419	2.3
134.99672	0.6
135.07864	0.5
135.11671	0.6
137.24501	0.4
142.07802	2.1
143.08519	0.5
145.06477	1.3
145.10120	8.4
146.10858	1.5
147.04395	1.9
147.08043	2.6
147.11682	15.4
150.03242	0.4
150.96863	0.8
151.93823	0.5
157.10126	1.9
158.06015	0.5
158.10893	0.5
159.11668	0.7
160.05200	1.4
160.08820	0.6
160.12494	4.2
166.58864	0.5
173.13303	3.3
175.03949	1.7
175.07541	3.5
175.11284	6.8
175.14824	97.2
176.07028	0.4
176.15202	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05252	0.7
55.05511	8.2
57.07066	1.2
67.05505	1.9
67.81143	0.4
69.07069	23.2
69.48848	4.0
79.05488	2.6
81.07051	5.1
83.08617	5.4
91.05477	9.5
93.07048	3.3
95.08617	5.2
98.98426	0.4
102.68658	0.4
103.05441	0.6
105.07030	23.7
107.08611	5.4
117.07018	3.4
118.07800	0.8
119.08582	88.2
120.08845	2.0
121.10144	2.2
131.08560	3.5
132.09335	0.7
133.10132	77.2
134.10396	2.2
135.11673	0.6
144.09402	0.5
145.10130	8.2
146.10904	1.4
147.11687	12.8
159.11659	0.9
160.12466	3.7
173.13280	3.5
175.14827	100.0
176.15161	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1191
Annotation	L-Arginine
Peak:m/z	Relative Intensity
60.05644	39.4
68.05015	0.2
70.06586	100.0
70.40135	0.5
71.04987	1.8
71.06918	1.0
72.08147	4.7
72.08532	0.3
84.08134	2.4
84.08601	0.2
88.07617	0.5
97.07671	0.6
98.06039	0.7
109.61266	0.1
112.08717	4.8
112.09471	0.3
113.07099	0.4
114.10309	0.7
115.08690	1.0
116.07082	31.2
117.07433	0.3
130.09747	13.9
133.09744	0.2
140.08185	0.3
141.06541	0.3
157.10844	1.3
158.09241	8.6
175.04654	0.3
175.11891	25.5
176.12187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1189
Annotation	L-Arginine
Peak:m/z	Relative Intensity
55.01870	0.4
55.05507	0.3
56.96567	0.5
57.03426	0.2
60.05645	33.6
68.05017	0.4
69.03411	0.4
70.06587	100.0
71.04987	2.7
71.06926	1.1
71.58664	0.2
72.08150	5.4
73.02940	0.4
74.02438	0.2
84.08148	0.9
85.09721	0.2
86.97638	0.2
88.07610	0.5
91.05456	0.2
96.01459	0.2
97.02913	0.3
97.07644	0.6
98.06046	0.7
98.98458	0.3
101.00866	0.5
103.02435	0.5
112.04077	0.2
112.07601	1.4
112.08726	4.1
113.07115	0.6
114.09161	0.2
114.10279	0.7
115.08668	0.8
116.07083	25.2
117.07454	0.3
119.01898	2.0
120.02010	0.3
121.01624	0.6
121.03502	0.5
129.10196	0.2
130.09753	12.8
131.10114	0.2
132.02106	10.6
133.01717	0.2
133.03464	1.1
137.02930	0.6
139.02650	0.3
141.06551	0.3
145.03413	0.3
147.03149	0.3
151.04521	0.7
157.10860	1.5
158.07982	0.4
158.09244	6.1
160.17517	0.2
163.04514	0.2
175.02713	0.1
175.04584	1.3
175.11899	17.2
176.01067	2.3
176.10269	0.8
176.12138	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
54.67866	1.3
55.01882	1.7
55.05504	3.3
56.96576	9.7
57.03437	100.0
57.91889	1.4
58.03761	2.0
60.05639	1.9
65.03933	1.3
67.05483	5.0
69.03416	5.4
69.07060	3.1
69.94199	3.3
69.94614	4.3
70.06575	5.0
72.74625	1.4
74.93153	3.5
79.05482	6.7
81.03431	2.6
81.07053	5.8
83.04988	2.8
91.05476	22.2
92.38368	2.0
92.90406	9.6
93.07019	4.4
95.08613	2.7
97.02873	2.0
98.98466	41.1
103.05437	2.1
105.07027	16.7
107.04952	1.7
107.08593	2.9
116.18050	1.4
116.97208	5.4
116.99534	1.7
117.07019	6.5
118.39067	1.4
119.04912	3.9
119.08588	70.6
128.06189	1.6
129.06999	5.7
131.08572	4.0
133.06464	4.1
133.10141	13.6
133.92960	3.1
134.01303	2.6
142.07774	6.2
146.07219	2.4
147.04431	2.4
147.08041	6.4
147.11682	6.4
148.07617	2.1
151.94046	21.8
157.04207	3.0
157.10152	6.9
160.08913	2.9
169.95061	7.4
174.57693	1.9
174.95674	2.0
175.07413	8.0
175.08887	2.6
175.11182	51.4
175.12881	2.2
175.13159	3.4
175.14697	14.2
176.07100	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	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
50.37504	0.7
51.02394	1.4
53.03953	7.1
55.01866	7.6
55.05265	1.2
55.05510	14.7
57.03418	2.2
60.11921	0.9
65.03933	4.2
67.05505	32.1
69.03429	70.5
69.07064	8.3
70.03752	1.1
70.66338	2.8
77.03925	1.5
79.05491	51.7
80.05801	1.4
81.03419	25.9
81.07057	24.3
83.04979	5.1
83.05418	0.8
90.97960	0.9
91.05479	98.0
92.05775	1.2
93.07038	44.8
94.07382	0.9
95.04966	30.8
95.08591	1.8
98.67442	0.9
98.98429	2.2
103.05470	8.8
104.06232	2.1
105.07029	100.0
106.07307	1.5
107.04942	4.3
107.08591	32.3
109.06514	7.4
115.05460	6.9
116.06247	5.9
117.06220	1.3
117.07025	24.6
118.07795	2.5
119.04911	2.6
119.06099	1.1
119.08578	44.0
120.08867	1.2
121.06498	1.6
126.00078	0.8
128.06226	6.0
129.07004	27.3
130.07834	1.0
130.60576	0.8
131.08566	35.4
132.09053	0.7
133.06496	12.1
133.10135	13.4
136.58018	2.4
141.06943	1.6
142.07768	14.4
145.06398	1.8
145.10130	7.3
145.58554	2.4
146.07269	8.1
146.08347	1.3
147.08023	3.6
147.11684	12.7
157.10118	7.5
161.09392	0.9
175.11176	39.2
175.14801	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	175.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.1
55.01870	5.2
55.05513	12.6
57.03448	1.8
65.03946	3.1
67.05499	22.5
69.03429	72.1
69.07068	8.0
70.77335	4.2
79.05050	2.6
79.05495	36.8
79.18708	1.3
81.03419	18.2
81.07058	19.3
83.04992	2.9
91.05482	100.0
92.05809	1.4
92.73573	1.3
92.90484	1.7
93.07042	36.0
95.04961	13.0
98.98471	9.0
103.05479	5.1
105.07028	93.4
106.07365	1.8
107.04947	4.0
107.07870	1.7
107.08593	31.9
109.06513	4.5
115.05450	7.7
116.06244	7.3
117.07015	23.3
118.07820	2.2
119.04961	2.4
119.08580	46.2
120.84187	1.4
128.06230	5.4
129.07014	27.2
131.04968	1.5
131.08569	58.2
132.05759	1.6
133.06496	11.3
133.10133	22.8
133.93063	1.6
141.06979	1.5
142.07770	9.7
145.06509	3.3
145.10146	7.2
146.07256	5.9
147.04471	1.5
147.08063	5.9
147.11693	16.5
151.93919	4.2
157.10091	8.2
175.07532	3.6
175.11189	40.4
175.14853	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	174.131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
55.05512	0.8
57.03433	1.5
57.07074	25.8
59.04377	0.4
62.00674	26.9
67.05510	0.4
70.05328	1.9
72.04501	0.4
73.95750	0.3
74.09721	0.5
76.02231	3.6
79.05475	0.8
80.05814	0.4
81.07042	0.6
84.04511	0.7
85.02905	0.4
86.06064	0.5
86.09702	1.8
90.03781	4.4
91.05473	2.4
92.05809	0.8
93.07070	0.7
95.04950	0.4
95.08618	0.5
96.04480	0.6
97.02917	0.5
98.98474	2.5
105.07030	1.6
106.07349	0.4
107.08601	0.4
110.06055	0.4
112.04797	0.4
114.05526	0.6
117.07012	0.4
118.06869	44.9
119.07214	0.6
119.08567	1.5
120.08916	0.3
128.07025	0.4
129.07040	0.4
130.05811	0.4
130.07294	0.5
131.08589	2.0
132.06857	0.3
132.08430	7.6
133.10127	1.6
145.09843	0.4
146.05975	0.8
146.08076	0.9
146.10463	1.3
156.07431	0.4
158.09639	0.5
174.13113	100.0
175.11162	0.7
175.13622	2.0
175.14667	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95692	0.5
57.07070	41.0
58.07404	0.8
62.02445	58.8
70.33290	2.1
74.09711	0.5
80.84254	0.4
80.96262	0.4
87.92117	0.5
88.03982	4.7
90.05544	1.8
98.98457	1.1
100.07606	1.5
116.07149	0.5
118.08644	82.5
119.08999	1.1
136.09656	0.9
146.11732	1.3
151.93980	0.6
159.11186	0.5
174.14879	100.0
175.15228	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	174.1489
Annotation	9-Aminononanoic acid
Peak:m/z	Relative Intensity
50.50994	0.3
53.00315	0.4
55.01865	0.3
55.05509	0.9
56.05039	0.4
56.05843	0.3
56.96564	0.8
57.03429	1.2
59.05012	0.3
60.04524	0.8
61.02921	0.8
65.03932	0.4
68.05016	0.4
69.03432	4.4
69.07066	3.0
69.91605	1.2
70.06613	0.3
70.07399	0.3
70.95879	0.4
71.08630	25.5
72.08959	0.3
72.93789	0.7
81.07055	0.6
83.04952	0.4
84.04510	0.6
85.02897	0.3
86.06067	100.0
86.09701	11.3
87.04469	7.1
87.06407	1.2
88.11269	42.6
89.11602	0.7
90.94830	0.6
91.05482	3.2
95.08580	0.3
96.04477	0.3
97.02906	2.0
98.20827	0.3
98.97621	0.3
98.98453	0.9
99.87308	0.3
103.05446	0.3
103.12601	0.3
105.06375	0.3
105.07004	1.7
106.05038	0.8
107.08614	0.5
109.21639	0.3
114.05536	1.0
117.07057	0.4
118.05024	0.4
118.06547	0.5
119.04940	1.4
119.08580	2.8
129.07019	0.5
129.99448	0.3
131.08557	0.8
132.06564	0.3
132.08095	0.4
132.10210	0.3
132.95816	1.1
133.06468	0.4
133.10106	1.8
142.07787	0.7
145.06502	0.3
145.10127	0.3
146.05966	0.9
146.08138	0.5
147.04396	0.8
147.08015	0.5
147.11694	0.6
150.96870	2.0
155.97411	0.3
156.13838	82.7
157.10120	0.4
157.14198	2.4
173.98529	0.4
174.05453	0.3
174.07610	1.0
174.11250	1.2
174.13629	0.8
174.14902	14.8
175.03902	0.7
175.07526	0.9
175.11147	1.8
175.14807	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0762
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
54.03467	2.6
55.01862	2.6
55.05501	6.2
55.93525	2.6
56.05038	8.9
56.05857	1.4
56.96561	10.3
57.03442	9.3
58.02967	1.4
58.06589	6.3
58.90174	0.9
59.04986	1.9
59.06113	3.2
60.04525	15.5
60.33282	1.0
61.02913	1.1
65.03931	2.6
67.04247	1.3
67.05489	4.2
68.05033	7.8
69.03429	9.1
69.07063	7.8
69.75497	5.5
69.75910	1.8
70.02953	4.5
70.06599	11.9
70.95862	24.7
71.01329	1.5
72.04507	6.2
72.08138	4.4
72.93786	24.4
73.02908	3.2
73.93803	1.1
74.06081	5.7
74.97562	1.1
75.05596	2.8
76.03999	1.3
80.05004	6.0
81.03416	3.6
82.02960	2.0
82.06581	22.7
83.01341	3.4
83.04974	10.7
83.99933	0.9
84.04503	15.4
84.05306	3.6
84.08138	1.4
85.02930	5.9
85.04031	1.7
85.05283	2.0
86.06065	14.9
87.04457	1.3
87.05611	2.1
88.03981	2.9
88.07636	2.2
88.96909	7.8
90.94827	14.2
91.05476	9.3
94.06593	2.4
95.04967	1.3
96.04491	5.9
97.02877	10.4
97.05270	1.5
98.06053	15.4
98.07127	1.1
98.97584	8.9
98.98462	7.9
99.04454	3.2
99.05577	2.0
100.03981	2.9
100.07610	7.7
101.06017	2.4
101.07143	1.5
102.05575	1.7
106.97958	1.5
108.04470	4.9
108.95850	3.2
110.06036	30.7
111.04461	7.0
111.98482	16.1
112.03955	2.5
112.04688	2.1
112.07607	3.7
113.96408	3.7
113.98641	1.4
114.05527	9.1
114.94775	2.0
115.03932	1.6
115.05051	1.3
115.06310	1.1
116.07108	3.2
116.98609	8.2
117.05749	1.2
118.06516	2.6
119.01849	1.0
119.04940	3.0
124.07606	7.9
125.66265	1.3
126.05508	12.5
126.06553	2.4
128.07069	11.1
128.10760	1.2
129.05522	1.3
129.99501	11.1
130.05795	1.6
131.97459	10.8
131.99690	4.8
132.06569	3.0
132.08090	2.0
132.95827	35.8
134.02315	1.4
134.99658	4.7
138.05507	11.4
139.03923	2.5
144.06546	1.9
144.08147	1.5
146.06009	2.8
146.08057	5.4
146.99651	1.3
147.04367	3.2
149.96072	2.4
149.98495	7.4
150.00742	6.1
150.96890	100.0
151.97005	3.5
155.97424	13.3
156.06429	8.6
156.07640	1.4
156.10188	3.6
158.99690	4.0
162.05469	1.8
167.97183	2.7
168.97955	4.9
171.05992	1.6
171.25912	1.1
173.98494	22.9
174.05452	2.6
174.06155	1.5
174.07463	13.3
174.10057	1.7
174.12733	5.7
175.03909	1.8
175.07626	2.1
177.00751	6.7
179.07430	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0761
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.03947	1.4
55.01869	3.4
55.05511	3.8
56.05034	3.5
56.05841	2.1
56.96555	3.4
57.03430	15.0
57.07067	3.6
58.06594	0.6
59.06124	1.2
60.04520	44.3
61.02921	1.2
65.03934	2.4
67.05493	1.1
68.05029	4.3
69.03423	17.7
69.55893	0.6
69.66393	3.7
70.02962	0.6
70.06592	2.5
70.95862	5.2
71.04987	1.1
72.04499	1.6
72.08151	1.2
72.93781	5.6
73.02934	1.1
74.06094	0.7
74.09709	7.5
74.46671	0.5
79.05489	1.2
80.05036	0.7
81.07056	1.3
82.02921	1.7
83.01337	9.6
83.04983	1.8
83.06096	0.5
83.08604	0.7
84.04498	34.1
84.05318	1.3
85.02899	14.8
85.04852	0.6
86.06063	5.9
86.09676	1.0
87.04479	1.2
87.05584	1.6
88.03979	1.8
88.96894	1.3
89.03915	1.5
90.94830	3.0
91.03942	0.6
91.05475	25.0
92.05794	0.7
93.07038	0.6
95.04981	0.8
95.08598	0.7
96.04486	15.4
96.05102	0.9
97.02884	100.0
98.03246	1.7
98.06059	1.4
98.98460	8.4
100.03973	4.2
100.07655	0.7
101.06010	1.0
102.05532	9.2
102.06298	1.3
103.05487	0.7
105.03358	0.7
105.05558	0.6
105.07026	5.1
105.18915	0.5
108.95864	1.3
110.06037	0.5
111.04436	1.5
111.98471	3.5
112.04774	2.1
114.05521	38.2
115.03921	8.6
116.07103	0.7
117.07007	1.7
118.06528	2.0
118.07316	1.0
119.04925	10.3
119.08575	7.5
126.05518	1.0
126.06624	1.3
128.04982	0.9
128.06192	1.3
128.07057	1.4
128.10686	1.0
129.05472	0.8
129.07059	3.7
129.99518	2.8
130.05769	1.3
130.07358	0.9
131.08510	1.6
131.97423	2.1
131.99725	1.0
132.04440	1.4
132.06567	5.9
132.08073	1.4
132.08902	1.3
132.95819	8.3
133.06482	0.5
133.10114	4.2
134.07173	0.7
138.05481	1.5
142.07782	1.1
144.08932	0.9
145.01627	1.5
145.02838	0.7
145.06476	1.9
146.05997	7.4
146.08104	2.6
146.10498	1.3
147.04396	5.8
147.08017	1.6
147.11685	1.4
149.96112	0.6
149.98474	1.7
150.00693	1.1
150.96881	23.2
151.97134	0.6
155.97433	3.0
156.06464	1.6
156.07478	1.6
156.10194	7.2
157.03891	1.0
157.10130	0.8
159.11302	0.7
160.05176	1.4
163.02692	2.4
167.97083	1.1
168.97876	1.1
173.98471	5.1
174.05484	2.6
174.07599	77.1
174.12767	3.8
174.13846	1.4
174.18619	1.2
175.03862	2.7
175.07510	4.1
175.11072	3.3
175.14799	4.2
181.88078	0.6
191.57509	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1323
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.03114	0.4
55.05513	8.9
57.03429	0.5
57.07067	1.9
59.05000	1.4
67.05502	2.9
69.07079	0.5
71.59488	0.6
79.05482	3.9
81.00882	0.4
81.07050	4.0
83.04975	8.3
84.04534	0.9
87.04449	0.7
89.02379	0.5
91.05479	15.3
93.07030	2.9
95.08609	2.2
98.98456	2.5
101.06013	6.0
103.05412	0.5
105.07020	10.0
107.08556	0.7
110.06122	0.5
111.04442	6.5
113.05977	0.8
115.05465	1.9
116.06229	1.8
117.07019	16.1
119.08560	4.5
127.07549	1.0
128.06184	0.5
129.05486	4.0
129.06989	5.6
130.07785	2.0
131.08562	100.0
132.08923	2.1
143.08562	1.8
144.09322	2.0
145.10114	17.5
155.07037	4.8
158.10886	1.8
171.11664	1.0
173.08160	6.3
173.13258	72.2
174.13597	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03934	1.8
55.01862	1.6
55.05507	31.2
55.93497	1.3
56.05027	1.4
56.96565	3.7
57.03429	3.6
57.05353	0.7
57.07063	1.3
58.06580	1.2
59.05000	4.8
59.06094	0.8
60.04518	1.7
62.69824	0.6
65.03925	1.0
67.05500	4.7
69.03413	2.0
69.07050	2.5
70.06570	3.0
70.95845	2.8
71.04967	0.8
71.43203	1.4
72.08136	2.1
72.56715	0.7
72.93781	23.2
73.02903	1.2
74.09704	0.8
79.05471	2.4
81.03397	0.8
81.07036	2.9
83.01307	0.8
83.04974	31.7
84.04482	2.1
84.08109	0.8
85.02871	1.1
85.06536	1.0
86.06047	1.3
86.09692	2.6
87.04453	2.6
87.05577	1.7
89.02371	2.2
90.90382	1.4
90.94817	15.9
91.05476	11.7
93.07016	1.1
95.04927	1.0
97.02872	2.0
98.97582	1.4
98.98453	5.6
99.04433	2.2
99.05565	1.7
100.07570	1.2
101.06008	23.2
101.07079	1.7
102.05521	0.7
103.05473	1.1
105.04507	0.7
105.07033	10.5
108.95834	7.2
110.05982	0.9
110.09711	0.9
111.04433	30.0
111.98463	1.7
112.04819	0.8
113.06012	4.3
113.07119	1.1
113.96389	1.4
114.05511	0.9
115.05453	3.7
116.06213	2.4
116.07053	1.1
117.07004	8.9
118.06537	0.8
119.08571	14.3
120.08939	0.7
127.07516	5.6
127.08416	0.7
128.06218	2.6
128.07072	1.2
128.10727	3.4
129.05469	19.9
129.06963	10.1
129.99483	1.3
130.07822	3.8
131.08554	61.2
131.97423	3.4
132.08910	1.6
132.95799	4.1
133.10118	3.5
134.99615	0.8
137.05988	1.7
142.07744	1.3
143.08542	30.6
144.09323	7.5
145.06468	3.6
145.10110	28.4
146.06062	0.8
146.08133	1.2
146.10533	1.1
149.01135	1.1
149.94102	1.2
149.96075	5.0
149.97139	1.3
150.96866	10.4
155.07024	24.4
155.08372	1.9
155.97409	1.8
156.09254	1.2
156.11266	1.0
157.10107	1.5
158.07280	1.7
158.10895	45.9
159.11230	1.3
167.97139	7.7
168.97913	0.8
171.11703	2.1
173.04613	0.9
173.05930	3.2
173.08142	34.2
173.09618	5.4
173.13242	100.0
173.98477	3.6
174.07623	1.4
174.11301	0.7
174.13585	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	172.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
55.05509	14.7
56.96566	10.3
57.03439	2.7
57.07075	100.0
58.07399	1.8
59.04988	3.8
59.99110	37.6
60.04517	1.4
61.08154	1.1
62.74471	1.2
65.03933	1.1
67.05489	2.5
69.64389	1.0
71.08644	3.7
71.60292	1.9
71.60710	1.4
72.04519	2.7
72.93777	6.7
77.05875	1.0
80.05007	1.4
81.03420	3.1
83.04979	18.3
84.04503	2.9
84.08120	1.0
85.02914	9.3
86.06067	1.2
88.11272	10.5
89.07140	2.0
89.90692	3.9
90.90369	9.7
90.94834	4.6
91.05473	2.3
98.06025	1.9
98.97590	1.6
101.06010	12.9
102.05493	1.7
105.07094	1.2
107.62701	1.1
108.17630	1.1
108.95856	4.0
109.02244	1.3
109.22722	1.1
111.04440	9.4
113.06023	1.4
113.96368	1.1
116.05306	14.7
116.98616	2.8
119.01811	3.6
126.05499	1.5
127.07573	1.6
128.02327	2.6
129.05458	13.4
130.01067	1.2
130.08650	1.2
131.08574	3.3
131.92998	1.7
131.97426	1.7
134.99670	2.1
139.53038	1.2
143.08638	1.2
144.08058	1.2
145.06500	2.1
145.10161	1.9
148.53632	1.1
148.94350	1.3
149.01237	1.6
149.94064	10.2
149.96057	2.5
155.07034	12.9
167.95070	2.5
167.97195	4.7
172.06244	1.6
172.07590	3.7
172.09753	2.5
172.11209	3.4
172.13338	5.6
172.16992	4.5
172.95630	1.9
173.08148	17.0
173.09567	1.7
173.13278	4.4
183.91998	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03972	0.3
55.01870	0.7
55.05511	2.3
56.05032	11.1
56.96565	2.8
57.03443	0.5
57.07077	0.6
58.06603	0.6
59.00993	0.2
59.06128	0.5
65.03941	0.6
67.05502	0.9
68.05021	0.3
68.99777	0.3
69.03433	0.7
69.07069	3.0
70.06602	1.2
70.72137	0.8
70.94260	0.7
71.05002	1.0
71.08628	19.3
72.04515	4.8
72.08157	1.9
72.08950	0.3
72.93785	0.7
73.02917	0.6
74.06090	0.3
74.09684	0.3
74.97601	0.3
75.05605	0.4
79.05498	1.0
81.03423	0.4
81.07056	0.9
82.06583	0.5
83.01338	0.4
83.04986	0.7
83.06094	2.4
83.08600	1.4
84.04500	100.0
84.08147	0.8
85.02907	1.1
85.04826	1.0
85.06549	0.4
86.09703	4.6
87.04469	1.0
87.10035	0.3
88.11264	49.4
88.95274	0.6
88.99109	0.3
89.07146	3.2
89.11600	0.4
91.05483	0.5
93.07029	0.7
94.06596	0.3
95.08633	0.4
96.04479	0.3
97.06516	0.9
97.07665	0.3
98.06078	0.9
98.09697	1.2
99.05558	0.3
99.83449	0.2
100.03961	0.4
100.08737	0.3
100.11227	0.2
104.03453	0.5
106.96339	0.3
107.05013	0.3
107.08575	1.2
109.02935	0.3
109.06517	0.4
109.07617	0.4
109.10165	0.6
109.98914	0.2
111.04466	1.2
111.08086	1.1
111.09196	1.1
112.05090	0.3
112.07555	0.7
113.03008	0.3
115.02132	0.8
116.98608	0.8
119.84934	0.3
125.05988	0.6
125.09623	0.7
126.05399	0.3
126.09134	0.5
126.12782	0.4
127.01531	0.4
128.06224	0.9
128.98543	0.3
129.06987	0.4
130.04968	0.3
130.16008	0.3
134.02316	0.7
134.99660	0.7
135.11705	0.3
139.03893	0.8
141.06990	0.5
142.07785	0.3
143.08546	1.0
144.08096	0.6
146.99644	1.0
147.96841	0.8
148.97383	0.5
153.07704	0.3
153.09074	0.6
153.12727	0.5
153.13855	0.3
154.06265	0.3
154.09718	0.3
154.12245	2.0
156.09354	1.6
157.01308	0.3
165.00696	0.8
165.97885	0.6
171.02945	0.4
171.06555	0.5
171.08020	0.9
171.11665	1.7
171.14899	6.1
171.98984	0.4
172.04326	1.7
172.05598	0.3
172.09596	0.6
172.10966	0.5
172.13341	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.138
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
53.03943	4.6
55.01868	22.1
55.05510	29.1
56.05040	2.7
56.96558	6.7
57.03436	69.0
57.07070	5.3
59.04988	6.0
59.06099	3.2
65.03924	3.1
67.05501	27.9
68.99793	3.6
69.03424	12.2
69.07066	53.8
70.06582	5.1
70.56644	5.1
70.94246	2.7
71.04990	52.1
72.04516	28.4
72.08141	6.1
72.93780	2.7
73.06540	9.1
74.29340	1.7
79.05490	26.1
81.03417	4.0
81.07054	93.3
82.07377	3.0
83.01334	2.8
83.04964	12.3
83.08615	23.1
84.04492	2.8
84.08134	2.1
85.02893	7.7
85.06538	14.7
85.07646	2.4
86.09700	6.8
87.04465	10.5
88.11226	4.2
88.95288	1.9
89.03856	1.7
89.07161	21.0
91.05479	8.0
93.07038	40.9
95.04944	4.5
95.08593	14.3
97.06527	100.0
97.10155	2.9
99.08089	5.4
100.03981	2.2
102.05522	1.9
105.07008	3.0
106.96282	1.9
107.04938	2.1
107.08585	32.2
109.02869	2.3
109.06510	4.2
109.10149	47.0
110.01308	1.8
111.04437	12.4
111.08054	12.8
111.09216	5.8
112.07594	1.8
115.05463	4.4
116.98604	3.2
123.11711	14.5
125.07104	2.9
125.09626	4.7
126.05517	2.6
126.09188	2.3
127.03973	2.4
127.11157	10.0
128.02370	2.7
128.06242	9.2
129.07028	4.6
134.99709	2.0
135.11694	38.3
136.84662	1.7
139.03922	9.8
141.06990	3.2
141.12730	20.6
143.08545	11.4
144.08060	3.7
146.99652	2.6
147.96834	1.9
153.09157	1.8
153.12727	40.5
154.13268	2.1
156.09338	15.3
157.01366	2.1
158.61476	1.8
165.97916	3.3
171.02916	3.1
171.06564	3.0
171.08119	6.7
171.10136	3.4
171.11649	14.3
171.13771	7.7
171.15007	12.5
172.07536	4.4
172.10999	2.8
172.13362	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0652
Annotation	AC1OCV3S
Peak:m/z	Relative Intensity
51.69430	0.3
53.03943	0.7
54.17271	0.3
55.01869	3.4
55.05510	5.0
56.05032	0.9
56.96294	0.4
56.96565	5.4
57.03441	0.8
57.04551	0.7
57.07069	0.6
58.06606	0.6
59.06116	0.4
60.04522	0.7
65.03938	26.8
66.04272	0.4
67.05502	2.8
68.02647	0.5
68.05026	0.7
68.96352	0.4
68.99789	8.8
69.03424	2.9
69.04536	0.5
69.07059	1.2
70.02955	0.5
70.06601	1.7
70.94254	1.7
71.01359	0.7
71.04974	0.9
71.06126	0.4
71.19235	0.5
71.19565	0.5
71.93001	0.4
72.04517	6.4
72.08151	2.2
72.93789	3.5
73.02913	0.4
75.05604	0.5
79.01862	0.6
79.05488	0.9
80.05013	0.4
81.03415	4.5
81.04516	0.6
81.07040	0.7
82.05411	0.3
82.06590	0.6
83.01333	0.9
83.04475	0.6
83.04977	12.5
83.06104	1.0
83.08631	2.0
84.04509	1.0
84.08128	0.8
84.96024	0.3
85.02896	1.0
85.04048	0.4
85.06559	0.4
86.06049	0.5
86.09703	5.3
87.04453	0.5
87.39874	0.3
88.95283	1.6
89.07151	4.3
89.94009	0.3
89.96418	0.5
90.77145	0.3
90.94832	1.3
93.03393	3.9
93.07040	0.6
94.06564	0.6
95.04946	1.0
95.06099	0.3
95.08594	0.7
96.02105	1.1
96.04494	0.4
96.89025	0.3
97.02874	1.8
97.03970	0.3
97.06515	1.1
97.07628	0.4
98.06058	1.2
98.97559	0.7
99.04526	0.4
99.05574	0.5
100.03988	0.5
100.07594	0.5
102.05576	0.3
106.96341	0.8
107.04922	0.4
107.08577	0.7
109.02871	0.9
109.10166	0.3
110.03648	0.4
110.06045	0.4
110.97610	0.6
111.04436	98.9
111.09189	1.6
112.04729	1.9
112.07608	0.6
113.96383	0.5
115.08734	0.3
116.98634	1.3
117.95855	0.5
119.01926	0.4
121.02876	1.8
121.03989	6.6
124.95280	0.4
125.02450	0.5
125.06041	0.7
125.07104	0.9
125.07932	0.3
125.94709	0.3
126.05508	0.7
127.03904	0.9
128.04259	1.1
128.06218	0.3
128.11800	0.3
128.98579	1.1
129.97932	0.5
130.08679	0.3
131.97430	0.5
134.99644	1.5
137.02962	0.4
138.54152	1.4
139.00266	1.4
139.03894	100.0
139.92270	0.3
140.04216	2.7
143.08623	0.6
143.11755	0.8
144.08020	0.4
145.47258	0.3
146.99612	2.5
147.54666	0.6
147.96899	4.5
148.97368	0.8
149.06683	0.3
153.00754	0.6
153.05441	0.4
153.10211	0.3
154.04877	0.4
155.06961	0.3
156.03777	1.4
156.09358	0.7
157.01318	3.3
161.01123	0.4
164.02400	0.5
165.00775	0.4
165.97937	4.7
166.00212	0.8
171.02928	0.8
171.06541	6.3
171.07861	0.3
171.12404	0.5
171.13600	0.5
171.14893	2.7
172.07277	0.5
172.09666	0.4
172.11185	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37620	1.5
53.00319	1.3
53.03949	7.6
53.30606	1.5
54.03460	3.4
55.01865	7.4
55.05510	100.0
55.93512	3.1
56.05037	9.5
56.96332	1.4
56.96562	20.7
57.03416	4.5
57.07069	3.4
58.06580	5.2
59.04992	2.6
59.06122	15.0
60.04521	2.2
62.04615	1.3
65.03939	9.2
65.38286	1.3
67.01862	11.5
67.02959	2.4
67.05503	14.0
67.93568	2.5
68.05025	14.4
68.99766	5.0
69.03431	9.1
69.04543	2.7
69.07081	11.5
70.06589	12.6
70.07384	1.9
71.04992	27.7
71.07371	2.3
71.20457	1.5
71.20782	1.8
72.04494	4.6
72.08157	9.6
72.93770	2.3
73.02934	1.4
79.01851	1.2
79.05495	13.5
80.05007	5.7
80.05796	1.9
81.03423	17.9
81.04536	5.4
81.07055	42.2
82.06574	12.1
82.07384	2.9
83.01310	1.3
83.04980	30.7
83.06082	8.6
83.08578	2.8
84.04503	9.2
84.05644	1.7
84.08139	15.7
85.02892	9.5
85.04014	3.7
85.06526	3.9
85.07648	4.1
85.70599	1.3
85.94578	3.2
86.06056	4.6
86.08424	1.6
86.09694	4.5
88.96868	1.4
90.94829	1.3
91.05462	5.9
93.05772	1.5
93.07049	8.3
94.06564	8.4
95.04972	13.6
95.06068	4.7
95.08612	8.5
96.04472	3.0
96.06850	3.7
96.08143	6.7
97.02890	3.2
97.04024	1.7
97.06517	15.8
97.07632	5.4
98.03664	3.7
98.06023	4.6
98.07178	4.9
98.09641	1.6
98.97613	6.8
99.04461	7.0
99.05568	2.8
99.08105	1.4
99.09211	2.5
100.03999	3.4
100.07644	1.7
100.11231	1.7
102.05530	4.2
103.05463	2.5
103.95616	3.1
105.07021	4.6
106.06543	2.2
107.06108	2.7
107.08597	10.5
107.96512	1.6
108.04471	2.6
108.08166	1.5
108.08878	2.9
108.95830	1.5
109.02875	26.6
109.06529	11.7
109.07634	15.2
109.10152	12.4
110.06053	8.3
110.07163	5.5
110.08439	2.9
111.00797	17.5
111.03831	2.3
111.04456	18.5
111.05552	4.7
111.08053	18.2
111.09192	44.8
112.05080	1.9
112.07589	2.0
112.08672	1.3
113.05975	2.6
113.07125	3.0
113.10725	2.8
113.96383	1.9
116.00257	1.4
116.98621	6.3
117.93559	1.8
118.94341	3.2
119.01885	1.6
120.08074	1.4
121.06520	11.0
121.07319	2.0
121.96688	2.9
123.04408	11.4
123.05287	1.9
123.08105	8.7
123.09184	5.0
123.11716	13.0
124.01569	2.0
124.03884	2.4
124.04712	2.9
124.07575	11.3
124.08680	6.6
125.05978	4.9
125.07117	3.6
125.09630	2.5
125.10750	4.4
126.03136	27.1
126.05495	3.6
126.09230	1.8
126.10229	5.2
127.03929	6.2
127.07560	1.6
127.08672	2.1
127.09905	1.5
128.07104	2.5
128.08171	2.9
128.95070	2.4
131.95042	1.3
133.02838	1.9
133.07626	1.7
133.10097	2.2
134.06049	1.8
134.99672	6.8
135.09154	1.7
137.02298	3.4
141.05463	64.9
141.06615	2.3
141.09128	1.8
142.05846	2.6
142.08607	2.0
142.13452	1.6
145.03467	3.3
146.96112	8.2
146.97394	4.8
146.99623	2.3
151.03920	10.5
151.05984	1.4
151.07501	3.8
151.08669	5.8
151.09785	1.4
151.11168	5.5
152.07039	6.0
152.08205	7.7
152.10677	2.2
152.11801	4.6
153.10210	1.3
154.02603	5.8
158.81467	1.3
159.03268	1.6
160.32080	1.3
161.04858	4.3
163.97714	9.1
169.01393	3.1
169.03514	2.5
169.04958	51.2
169.06117	1.8
169.07426	2.8
169.08575	4.5
169.09544	8.7
169.10855	5.6
169.12192	3.8
169.14500	6.3
169.17851	1.5
170.05939	2.6
170.08124	5.7
170.09474	5.8
170.11688	13.6
170.12689	1.3
177.00728	1.9
179.06000	1.8
181.98723	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	169.1223
Annotation	(4R,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone
Peak:m/z	Relative Intensity
53.03936	3.2
54.14018	1.0
55.01876	9.0
55.05261	1.6
55.05511	19.2
56.96564	6.5
57.03422	2.8
57.07079	1.5
59.04992	2.8
64.29481	1.2
65.03941	2.5
67.05502	31.2
67.22572	1.1
68.05032	2.1
69.03422	2.2
69.07072	6.0
70.06589	2.4
70.14240	2.0
70.14655	3.4
71.01363	5.5
71.04993	9.7
71.08643	1.7
72.40505	0.9
79.05491	14.6
80.05003	2.3
81.03423	7.1
81.07056	51.0
82.02926	2.3
82.06567	3.6
83.01321	2.9
83.04973	3.7
83.08614	11.4
84.04496	3.9
85.02892	4.3
85.06535	1.4
86.09691	3.0
91.05477	14.2
92.05025	1.0
93.07053	6.9
95.04974	4.1
95.08605	8.7
96.04514	2.3
96.08112	2.5
97.02913	1.1
97.06514	1.6
98.06061	3.1
99.04455	1.3
100.03974	4.0
102.05529	3.1
105.07023	10.3
106.06474	1.0
107.08601	9.3
109.02886	8.0
109.06527	4.8
109.10136	6.0
110.05988	1.5
111.00778	3.8
111.03790	1.3
111.04438	4.1
111.08086	1.8
113.00028	5.9
113.06039	1.5
114.05460	1.2
123.04413	2.2
123.08046	2.0
123.11701	7.3
124.04651	4.4
124.07582	3.3
126.03114	6.0
126.05455	1.2
128.07030	1.0
128.95070	1.9
133.05183	1.6
133.10129	3.4
141.03540	0.9
141.05472	16.5
141.06979	5.1
145.96512	1.3
146.96111	1.8
151.08617	1.4
151.11169	1.7
152.07056	2.0
153.07060	1.3
154.07732	5.6
163.02806	1.1
163.97720	1.8
169.02785	1.2
169.04980	6.7
169.10144	9.2
169.12242	100.0
170.05927	1.2
170.08112	3.6
170.09491	1.8
170.11583	8.7
175.54356	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0496
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
53.03930	0.9
54.03460	0.4
55.01864	4.2
55.05493	1.8
56.05022	1.4
56.96555	2.3
57.03424	0.7
57.07054	1.4
58.06591	0.4
59.04977	0.8
59.06113	1.2
62.58350	0.3
63.89813	0.4
65.03939	2.9
67.01862	25.0
67.05502	6.1
68.05007	1.3
68.99433	0.4
68.99783	5.3
69.03413	1.3
69.07053	1.6
69.32535	0.4
69.32845	3.9
70.06574	1.4
70.07379	0.4
71.04990	1.4
71.06106	0.5
71.08633	2.1
72.04491	1.2
72.08110	0.8
73.02869	0.4
79.05487	2.6
80.05018	0.9
81.03411	4.7
81.04521	0.4
81.07050	5.0
82.02928	4.8
82.06567	1.5
82.54404	0.4
83.01348	3.5
83.04980	4.0
83.06095	0.9
83.08586	0.5
84.04481	1.5
84.08124	1.4
85.02900	15.9
85.06518	1.1
85.07644	1.0
86.06067	0.6
86.08430	0.7
86.09686	1.2
88.11272	3.8
91.05469	1.1
93.07013	1.5
94.06532	0.8
95.04962	7.3
95.06077	0.5
95.08599	3.7
96.04509	0.7
96.08102	0.8
97.02895	0.8
97.06536	1.0
97.07625	0.8
98.03649	0.7
98.06039	1.0
99.04436	1.4
99.05566	0.8
100.03996	3.9
102.05537	0.9
103.95636	0.6
105.07040	1.3
106.06566	0.4
106.29174	0.4
107.06099	0.5
107.08557	1.2
109.02872	7.1
109.06506	2.7
109.07619	1.2
109.10157	2.6
110.06011	0.7
110.07146	1.4
110.07885	0.4
111.00806	5.5
111.03913	0.5
111.04466	4.6
111.05584	0.6
111.08050	1.3
111.09190	4.5
113.05989	1.1
115.05447	1.2
117.93554	0.5
119.01953	0.9
119.95070	0.4
120.45353	0.4
121.10140	0.6
121.96665	0.5
123.04427	30.6
123.08035	1.9
123.11709	1.9
124.04699	1.3
124.07590	1.1
124.08704	0.7
125.05991	0.8
125.09628	0.6
126.03143	8.2
126.05529	0.8
126.10246	0.5
127.03912	20.6
128.07083	0.4
128.95085	0.8
129.01816	0.9
133.05119	0.5
133.10089	1.0
134.05997	0.5
137.02319	1.5
139.11163	0.9
141.05463	20.9
141.06970	2.0
142.05745	0.9
142.08614	0.5
145.03442	0.7
146.96123	1.1
151.03896	70.5
151.11188	1.5
152.04248	1.6
152.07030	1.2
152.08121	0.9
152.11794	0.7
154.02618	1.3
154.07738	1.0
155.03360	0.8
163.97691	1.5
169.04958	100.0
169.09973	1.8
169.12195	0.8
169.13310	0.6
169.14546	0.8
170.05293	2.8
170.08177	0.9
170.09561	0.9
170.11760	3.9
181.98773	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0496
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
50.12387	0.5
50.93378	0.5
53.00298	1.0
53.03943	1.3
55.01868	4.8
55.05509	5.4
55.93522	1.0
56.05025	1.4
56.96564	5.5
57.03439	2.9
57.07059	1.3
58.06575	0.7
59.04985	1.2
59.06130	5.3
65.03944	4.7
67.01526	1.0
67.01865	15.0
67.05502	9.2
68.05030	3.1
68.99789	8.7
69.03434	3.8
69.04550	0.8
69.07069	4.7
70.06588	2.9
71.01347	1.3
71.04995	8.8
71.06085	0.7
71.07369	0.8
71.08625	3.7
71.59025	0.6
72.04501	1.8
72.08160	3.3
75.90623	0.5
79.05492	5.6
80.05005	1.8
81.03418	9.4
81.04527	1.0
81.07056	15.6
82.02942	14.3
82.06575	3.3
83.01324	2.0
83.04985	5.0
83.06115	3.2
83.08619	1.3
84.04496	2.1
84.08152	5.4
85.02907	11.9
85.04013	0.7
85.06544	2.9
85.07661	2.0
85.94580	0.6
86.06047	0.8
86.08456	0.7
86.09676	1.6
87.04475	1.2
88.11276	5.9
91.05471	2.4
92.04962	0.6
93.03386	1.0
93.05782	0.9
93.07034	2.4
94.06573	2.8
95.01330	3.9
95.04976	8.9
95.06085	1.2
95.08614	3.8
96.04481	1.9
96.06871	1.3
96.08145	2.8
97.02878	1.1
97.06528	2.3
97.07639	1.0
98.03658	2.0
98.06052	1.2
98.07161	1.9
99.04449	2.0
99.05574	2.3
99.08083	1.0
100.03982	3.3
102.05539	1.1
103.03956	0.7
103.95648	0.9
105.07018	3.9
106.06525	0.8
107.06104	0.6
107.08606	2.9
109.02881	16.5
109.06528	4.5
109.07642	3.7
109.10168	3.5
109.11873	0.7
110.06045	1.5
110.07218	2.8
111.00799	14.1
111.04469	7.9
111.05585	1.2
111.08087	3.6
111.09201	13.5
112.05114	0.6
112.08746	0.9
113.02357	2.6
113.05980	1.0
113.10789	1.0
115.05457	1.3
117.93578	0.8
118.94332	0.8
121.96726	1.1
123.00777	1.6
123.04430	30.9
123.08063	4.0
123.09132	1.0
123.11730	3.9
124.03957	0.7
124.04745	2.0
124.07604	2.0
124.08684	1.9
125.05978	1.9
125.10818	0.6
126.03134	15.7
126.05499	1.0
126.10284	2.0
127.03922	17.6
127.08693	0.6
133.02832	1.0
133.05147	0.6
133.10126	1.6
134.05980	1.1
134.07108	0.6
137.02235	0.5
140.06010	0.7
141.01921	1.0
141.05467	42.9
141.13875	0.9
142.05777	0.9
145.03494	0.7
146.96126	2.6
146.97223	0.6
146.99660	0.7
151.03903	54.4
151.07516	1.3
151.08653	2.0
151.09787	0.8
151.11148	2.3
152.04280	1.5
152.07031	1.6
152.08182	1.5
152.11742	1.1
153.01935	0.9
154.02663	1.4
154.07761	0.9
155.03377	1.7
163.97725	2.5
169.01329	24.8
169.04967	100.0
169.09779	2.0
169.10823	2.1
169.12108	1.2
169.13295	0.9
169.14500	1.8
169.16966	3.0
170.05263	3.1
170.08095	1.6
170.09515	1.9
170.11720	4.4
181.98793	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
54.03470	3.5
55.01867	6.0
55.05513	19.6
56.05034	8.2
56.05878	1.2
56.96568	13.4
57.03442	8.3
57.07070	4.4
58.06603	6.7
59.06124	6.7
60.04514	2.3
65.03938	6.6
67.01847	4.2
67.02985	1.4
67.05164	2.5
67.05505	34.9
67.92523	1.4
67.93585	1.9
68.05035	10.4
68.05841	1.9
68.99792	3.4
69.03426	8.8
69.04569	2.1
69.07068	38.6
70.06590	16.8
70.07388	2.0
70.75019	4.1
71.04987	5.9
71.06125	2.2
71.08590	1.3
72.04507	3.8
72.08152	5.8
72.93794	3.0
79.05057	2.3
79.05492	19.4
80.05019	9.8
80.05821	1.8
81.03417	12.6
81.04536	5.0
81.07056	100.0
82.02944	2.9
82.05306	1.7
82.06570	9.6
82.07400	2.3
82.94839	3.2
83.01341	5.6
83.04992	8.4
83.06100	10.5
83.06871	1.6
83.08629	2.3
83.46432	1.6
84.04517	8.2
84.08157	10.9
84.08585	1.7
85.02908	6.1
85.04021	1.4
85.06581	1.3
85.07654	2.8
86.06063	5.5
86.08482	1.9
86.09682	6.3
91.05488	12.2
93.07049	24.9
94.06565	24.1
94.07397	2.4
95.04962	22.5
95.06105	5.4
95.07384	1.8
95.08611	15.2
96.04494	4.2
96.06897	2.3
96.08131	3.8
97.02891	3.7
97.06495	4.5
97.07673	12.8
98.02383	1.8
98.06065	7.7
98.07156	2.2
98.09679	1.6
98.97613	2.2
99.04461	1.8
99.05611	2.9
100.03954	7.8
102.94870	5.0
103.95623	2.1
104.05001	1.4
105.07027	18.9
106.06563	2.5
107.04997	2.5
107.06095	2.1
107.08594	66.8
108.04479	4.0
108.05241	2.5
108.08127	6.1
108.08893	2.9
109.02888	21.4
109.04003	2.0
109.06528	20.4
109.07642	31.4
109.08337	2.7
109.10149	29.3
110.06029	7.4
110.07207	2.8
110.07917	2.7
110.08553	1.6
111.00813	9.2
111.04460	12.2
111.05583	4.6
111.08074	3.2
111.09219	17.4
112.03976	6.2
112.07603	10.2
113.06036	1.8
113.07152	3.0
114.05525	3.2
116.98630	3.3
118.94328	2.9
119.01830	1.5
120.08093	1.4
121.01681	2.1
121.07657	3.1
121.10146	6.2
122.06030	8.3
122.06995	2.9
122.09689	3.9
123.04443	12.7
123.05524	4.0
123.08153	8.3
123.09147	8.8
123.11708	38.5
124.04717	1.5
124.07616	3.0
124.08658	3.6
124.12010	1.5
125.05993	3.9
125.07113	6.5
125.96436	1.7
126.03133	14.7
126.05517	8.2
126.06444	2.0
126.09276	2.4
126.10257	6.0
127.03924	6.1
127.05033	2.2
127.08665	4.2
128.09450	2.1
133.07608	3.3
133.10135	20.5
134.99663	1.7
136.04880	1.4
138.10272	3.7
140.07069	15.8
140.10683	3.3
141.05472	34.0
141.10269	2.2
143.97505	2.5
144.95886	4.8
145.03468	3.1
150.05510	9.2
150.06564	2.2
150.09120	3.9
150.10254	5.4
150.12791	3.9
151.03926	12.4
151.04987	2.7
151.07565	2.8
151.08627	8.4
151.11223	30.0
154.02672	2.5
160.05637	1.4
161.01283	1.4
161.04967	1.4
162.95747	2.0
162.96938	3.5
163.02773	2.0
163.97710	2.7
168.06554	10.3
168.07585	8.8
168.10162	6.8
168.11349	17.7
168.13766	10.3
168.17464	2.2
169.04956	30.0
169.06308	2.4
169.08565	2.5
169.09787	4.0
169.10974	2.4
169.14430	2.7
177.00710	3.5
181.98772	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	168.0141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.3
56.41761	0.2
56.96558	2.7
58.99855	0.4
59.42706	0.3
66.42346	0.3
67.92504	1.0
69.03439	0.2
70.01465	1.5
70.55849	0.5
70.56197	0.9
76.02500	1.0
77.00903	0.4
81.03374	0.3
81.37119	0.3
82.94849	1.2
88.02492	5.1
89.02580	0.3
94.03568	0.4
94.99837	0.7
100.02510	0.4
100.99193	0.3
103.00597	0.6
104.00969	0.4
104.01981	0.3
106.03521	2.9
109.34775	0.3
113.00839	5.6
115.02433	0.7
117.23111	0.3
117.51957	0.3
118.03533	0.6
119.01910	2.3
120.01978	0.4
121.01655	7.1
121.02279	0.4
122.01939	2.7
122.06004	0.3
123.97436	0.9
124.98082	0.3
126.02312	0.3
126.93787	0.5
127.02460	0.6
127.18591	0.3
131.01897	100.0
132.01997	4.0
133.02458	0.4
133.03427	0.6
133.98573	0.4
133.99768	0.4
134.99699	0.4
137.02927	0.7
139.02658	4.5
140.03008	1.9
142.03490	15.3
142.98907	0.4
143.00249	0.8
143.03690	0.5
144.03220	3.1
144.94853	0.5
145.03494	9.2
149.02945	79.7
150.03058	3.2
151.50337	0.4
151.99435	1.2
152.48306	0.4
152.97406	0.3
154.03500	2.4
156.05084	0.5
159.98305	1.0
160.04553	6.8
162.04277	1.4
162.95888	1.1
162.99147	0.8
163.02754	0.7
163.04597	3.9
163.50195	0.3
165.05025	0.6
165.99141	0.8
168.01468	0.6
168.05055	1.0
169.03224	0.3
172.04492	1.4
172.95233	0.3
173.96918	0.5
185.97490	0.4
186.02432	1.8
186.06128	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	ISOPEONOL
Peak:m/z	Relative Intensity
53.03947	1.5
55.01873	1.1
55.05515	1.4
59.50435	0.4
67.05495	0.9
68.05033	0.4
68.99783	6.5
69.03465	0.6
69.07082	1.1
69.92567	2.5
70.06605	0.5
77.03935	0.8
78.04706	0.9
79.05484	3.4
80.05000	0.5
81.07047	5.5
83.04993	2.1
83.08614	0.7
91.05467	5.1
93.07032	5.5
95.04962	3.6
97.06562	0.9
97.65935	0.5
98.48158	0.4
103.05469	5.0
105.07043	0.7
106.04159	0.4
106.90306	0.4
107.04959	3.5
107.08602	2.1
107.38165	0.5
107.44689	0.5
109.06470	0.8
109.07614	1.0
110.08395	0.6
111.08089	0.9
115.28091	0.4
121.01684	0.9
121.06498	43.5
121.10098	2.4
122.06048	0.5
122.06989	0.9
123.04436	1.5
125.05985	15.9
125.09628	0.6
131.04907	0.7
133.15198	0.5
149.05974	100.0
150.06317	3.4
150.10345	1.1
165.06923	0.4
167.07028	61.9
167.14250	0.6
168.07359	1.4
174.63480	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	ISOPEONOL
Peak:m/z	Relative Intensity
53.03946	1.8
54.83650	0.3
55.01872	1.2
55.05521	0.9
56.96569	0.8
57.03429	0.4
60.28135	0.3
65.03917	0.3
67.05504	1.6
68.99789	5.6
69.03427	0.5
69.07076	1.6
70.06585	0.5
70.32885	1.1
71.01357	0.5
71.04986	0.4
77.03936	0.5
78.04720	3.9
79.05053	0.4
79.05499	5.7
80.05019	0.5
81.03444	0.6
81.06585	0.4
81.07059	6.8
82.06634	0.3
83.01313	0.3
83.04983	0.8
83.08599	0.4
84.04497	0.4
84.96028	1.1
85.02914	0.4
85.06544	0.3
91.05482	6.1
91.06009	0.5
93.03417	0.5
93.07054	5.8
94.04215	0.4
94.06582	0.3
95.04975	4.6
95.08599	1.3
96.05753	0.3
97.06525	1.0
98.20845	0.4
100.04024	0.4
103.05476	3.6
105.03400	0.4
105.04506	0.6
105.07041	0.9
106.04183	1.5
107.04962	4.1
107.08585	3.1
109.02876	0.7
109.06532	0.8
109.07610	0.6
109.10184	0.5
110.03648	0.5
110.08449	0.3
111.04440	0.9
111.08095	0.8
111.09245	0.4
121.01659	2.2
121.06510	39.7
121.08389	0.8
121.10131	2.5
122.03671	0.6
122.06072	0.5
122.06782	1.5
123.04442	6.4
123.08095	0.9
124.05225	3.0
125.05999	11.8
125.09644	0.9
126.06347	0.4
130.51363	0.3
131.04953	0.5
131.08562	0.5
134.03656	0.7
135.04520	0.4
137.05978	0.6
139.02733	1.7
139.07574	0.9
139.11234	0.4
140.07063	0.4
144.03242	1.8
149.05984	100.0
150.06384	3.8
150.10298	0.4
151.03915	1.4
152.04703	1.6
152.05795	0.3
153.33684	0.4
162.04268	0.5
167.07043	86.8
167.10533	1.6
167.14320	0.9
168.07428	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00276	0.5
53.03936	0.7
54.03466	4.7
55.01870	8.5
55.04250	0.9
55.05510	2.6
56.05031	6.1
57.07081	0.7
58.06598	2.8
65.03929	1.0
67.04227	0.8
67.05499	3.3
68.05029	2.4
69.07064	27.2
70.06588	55.6
70.41713	1.2
71.06110	5.3
71.06908	0.8
72.08155	3.7
78.04700	0.6
79.05487	5.5
80.05013	2.0
81.04527	1.8
81.05800	1.1
81.07047	1.3
82.02937	100.0
82.06571	10.8
82.94860	0.5
83.03264	1.7
83.03724	3.1
83.05015	0.5
83.06100	4.6
83.08615	1.3
84.04500	5.4
84.08136	15.4
85.06574	0.4
85.08920	31.8
86.09699	81.5
87.10036	1.6
91.05462	2.5
93.04538	1.4
93.05785	0.7
93.07031	2.3
94.06564	6.5
95.04974	1.3
95.06111	0.5
95.08597	4.6
96.04489	1.9
96.08120	4.9
97.04023	1.7
97.06528	0.5
97.07634	0.5
98.09665	0.6
99.05575	11.5
103.05476	0.6
105.07028	5.3
106.06541	0.6
107.04955	0.9
107.07352	10.6
107.08578	16.1
108.04462	1.1
108.08118	1.8
109.06483	1.5
109.07656	2.8
110.06050	3.6
110.07164	0.8
110.08418	1.4
110.09671	2.1
111.04449	0.4
111.05546	5.5
111.09213	1.3
112.07545	0.6
117.05814	1.1
121.01659	2.4
121.02924	0.6
121.06487	2.0
121.10123	1.1
122.06038	0.8
122.09660	57.7
123.04436	1.7
123.08081	0.6
123.09173	0.6
123.10015	1.6
124.07588	15.7
124.08551	0.5
124.11213	1.9
125.06013	0.7
125.08038	0.5
126.05605	0.4
132.08080	2.3
133.06516	1.0
133.07574	0.4
138.09143	0.7
139.02704	0.9
139.12291	22.9
144.03226	1.3
149.02382	0.6
149.05977	1.4
149.09659	0.5
149.10735	1.2
150.09128	13.1
150.10268	3.0
162.04265	0.7
167.03293	0.5
167.07048	5.2
167.09415	0.6
167.10791	0.7
167.11794	14.9
167.12859	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02371	0.5
52.03154	0.4
53.03937	1.4
54.14162	0.3
55.01865	0.8
55.05491	0.9
56.05031	0.5
56.96560	1.7
57.03428	0.4
58.06576	0.3
59.06124	0.6
62.50581	0.3
63.54143	0.3
65.03912	0.5
66.04709	1.0
67.01834	0.3
67.05481	1.1
68.05019	0.8
68.99797	0.3
69.03420	0.8
69.04516	0.3
69.07048	1.2
70.06588	0.5
70.76894	0.4
70.77254	0.9
72.08140	0.3
73.02906	0.5
74.26129	0.3
77.03902	0.3
78.04710	15.1
79.05063	0.7
79.05485	5.8
81.03405	1.0
81.07052	1.6
82.02922	1.3
82.06565	0.7
83.04974	1.1
83.06099	0.6
84.04487	0.4
84.08136	0.7
84.96033	0.5
85.02886	1.0
86.09668	0.4
90.19895	0.3
91.05471	1.0
93.03408	0.5
93.07029	1.4
94.04173	1.4
95.04964	3.7
95.06059	0.5
96.05722	1.2
97.02876	0.4
97.06501	0.5
97.07645	0.6
98.97572	0.9
99.04517	0.4
105.03367	0.9
105.04492	0.4
105.06989	0.4
106.04170	5.6
107.04953	3.6
107.08620	1.9
109.02865	1.9
109.06520	0.8
109.07624	2.1
110.07106	0.3
110.08400	1.3
111.04417	0.8
111.08040	0.6
111.09183	1.4
116.98592	0.5
121.01649	2.3
121.02853	1.4
121.06502	1.4
121.07567	0.3
121.08389	0.8
121.10140	1.3
122.03643	1.7
122.06027	0.4
122.07140	0.8
123.04425	27.5
123.07969	0.4
123.09198	0.5
124.05216	8.4
124.08699	0.5
125.06055	0.7
125.09624	0.4
126.23341	0.3
134.03583	1.5
135.04399	1.1
137.02177	0.4
137.05956	2.0
138.03120	0.6
139.02696	1.0
139.07501	0.7
144.03250	1.4
149.05994	1.3
149.09595	0.4
150.06587	0.4
150.09198	0.5
150.10268	2.7
151.03891	5.0
152.04688	5.7
162.04335	0.4
165.05360	0.3
167.07030	100.0
167.12903	1.0
168.04170	0.9
168.07419	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	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03929	2.2
55.05509	6.3
56.96556	1.0
57.03432	5.0
57.07074	5.6
58.06598	0.9
59.04999	4.1
62.17172	0.8
65.03932	3.1
65.66501	0.9
67.05499	37.9
68.05036	1.4
68.05830	0.8
69.03423	8.4
69.07059	12.8
70.06569	2.1
70.90410	2.4
71.04984	1.2
79.05492	16.1
80.05003	1.3
81.03407	3.9
81.07052	36.9
82.06551	2.4
82.07361	1.6
83.04971	4.5
83.06095	1.8
83.08596	4.3
91.05472	20.7
93.07032	10.5
95.04960	58.1
95.08601	32.4
95.09096	0.6
97.06542	1.2
97.07612	1.6
101.00864	2.2
103.05465	1.6
105.06381	1.5
105.07027	21.3
106.06532	1.2
107.04947	6.5
107.06063	1.6
107.08586	48.7
108.05695	1.8
108.08858	1.1
109.05777	1.9
109.06512	33.4
109.10161	4.7
110.04204	0.9
110.07274	2.7
117.07044	4.6
119.01911	15.0
119.04915	2.2
119.06054	1.1
119.08571	44.2
120.01975	1.3
120.08089	5.8
120.08887	1.4
121.06495	3.1
121.07664	0.9
121.10147	10.4
122.07201	2.7
123.04401	1.2
123.08061	41.7
123.11700	31.5
123.12575	2.1
124.08632	1.9
124.12022	1.5
125.09489	1.6
129.06998	2.5
132.05705	5.6
136.08771	2.4
137.02972	7.0
137.05991	2.4
137.09636	6.1
137.13260	6.6
142.03497	9.8
145.06439	1.0
147.04362	2.8
147.08035	23.8
147.09209	1.2
147.11682	11.6
148.08592	3.0
160.04558	5.1
165.05396	3.0
165.07745	1.7
165.09093	11.5
165.12740	100.0
166.08635	2.1
166.13034	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	166.0863
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
51.02367	0.8
53.03945	3.1
54.03475	1.7
55.01875	4.3
55.05510	7.7
56.05037	3.0
56.96564	9.3
57.03456	1.7
59.06123	1.7
65.03934	2.4
65.92631	1.0
67.04243	1.0
67.05508	8.6
68.05035	5.2
69.03428	5.0
69.04538	0.9
69.07058	2.2
70.06585	4.9
71.04991	0.9
71.58790	1.1
72.08149	1.2
74.02444	0.6
78.04715	2.5
79.05495	10.1
80.05015	100.0
80.94968	1.8
81.03411	1.8
81.04523	1.3
81.05350	2.0
81.07052	3.7
82.06573	10.0
83.04986	5.5
83.06103	4.0
83.08610	1.7
83.93044	2.2
84.04502	2.4
84.06881	0.7
84.08132	4.9
84.96035	1.3
85.02898	2.1
85.06543	0.8
86.06071	0.8
87.04465	63.9
88.04816	0.9
91.05470	7.9
92.04996	1.7
92.05798	2.2
93.05770	2.6
93.07040	12.2
94.06572	5.2
95.04984	6.3
95.06087	2.5
95.07323	1.3
95.08610	5.4
96.04476	4.2
96.08128	1.7
97.02847	0.9
97.06528	1.1
97.07655	3.3
98.06061	6.6
98.07125	1.4
98.97567	1.8
102.94949	0.7
103.05463	10.9
105.07012	3.0
106.06559	12.9
106.07291	0.7
107.04952	4.5
107.06084	2.2
107.08579	5.5
108.04469	3.3
108.08089	1.4
109.02882	0.8
109.06495	3.0
109.07640	7.9
110.03646	0.9
110.06042	17.4
110.06812	1.2
110.07167	1.6
110.08414	2.4
110.09682	2.8
111.04433	2.5
111.05553	1.3
111.08073	1.2
111.09210	4.0
112.71893	0.7
116.97257	1.2
116.98535	0.8
119.01904	4.8
119.95110	1.7
120.02008	13.4
120.03265	0.9
120.04471	1.6
120.05276	1.7
120.08102	79.2
121.01666	5.4
121.02925	0.9
121.06511	6.9
121.07713	4.1
121.08436	2.6
121.10130	4.3
121.97610	1.4
122.06008	2.2
122.07125	3.0
122.09655	0.9
123.04424	5.9
123.05541	2.0
123.06731	0.9
123.08079	1.3
123.09187	1.9
123.20384	0.8
124.03961	1.4
124.05156	1.4
124.07635	1.4
124.08721	8.9
124.93903	0.7
125.05975	2.6
125.07081	3.0
125.08138	1.0
126.07880	1.9
127.07388	0.8
131.04904	1.7
131.08556	1.4
134.99663	0.9
136.07545	3.9
136.08588	1.4
137.02946	2.6
137.98335	1.5
138.03046	8.5
138.05463	4.6
138.06400	1.0
138.09135	29.3
138.10179	1.9
139.02713	3.4
139.03746	0.7
139.07533	1.0
139.08606	1.7
139.09563	0.8
139.11131	1.3
142.03477	1.4
142.96710	8.5
143.00125	1.7
143.03636	8.7
144.03210	4.2
146.99599	0.7
148.03847	2.5
148.04761	2.6
148.07541	7.8
148.08675	3.9
149.02324	1.1
149.05949	8.2
149.07079	2.5
149.08087	1.3
149.09520	2.2
150.10255	5.0
151.03886	1.9
152.04660	1.6
160.04500	0.8
160.95969	0.9
161.01215	3.7
161.04787	3.6
162.04294	2.4
165.98297	1.1
166.04839	6.9
166.08595	36.8
166.09752	5.3
166.12270	4.2
166.13457	1.3
167.03404	3.7
167.07030	24.4
167.09210	2.5
167.10645	2.1
167.12862	1.1
167.14262	1.5
176.48929	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
53.03935	2.9
55.01855	4.3
55.05508	8.6
56.96562	7.5
57.03434	6.2
57.07075	2.3
58.15054	1.1
62.63221	1.0
65.03909	1.4
67.05502	40.1
69.03427	3.6
69.07066	8.4
70.26829	3.7
71.04986	2.9
71.44814	1.0
79.05488	38.6
79.92056	1.0
80.05006	1.3
81.03407	1.2
81.07053	79.1
82.06555	1.4
82.07372	1.4
83.04977	9.6
83.08598	1.4
83.97629	1.1
84.15699	1.0
85.06533	6.1
91.05476	41.8
92.05800	1.5
93.07040	41.2
94.07350	1.3
95.04957	12.8
95.08044	2.0
95.08603	24.2
96.04494	1.3
97.06526	8.6
98.20789	1.3
99.08113	1.3
101.00867	8.6
101.02562	1.3
103.05470	2.3
105.07024	69.8
106.06620	1.2
106.07259	1.7
107.04895	1.2
107.08595	23.3
109.02338	1.3
109.06519	14.3
109.10165	7.0
117.07021	1.9
117.40582	1.0
119.01917	58.6
119.03676	2.1
119.04932	3.1
119.08572	59.4
120.02026	3.1
120.08080	3.2
120.08891	2.6
121.10136	61.6
122.10448	3.1
123.08063	9.1
123.11718	9.1
124.02456	1.9
133.05412	1.0
134.04872	3.2
136.07600	1.4
137.02953	24.1
137.05997	1.1
137.09578	5.9
137.13258	2.1
137.98361	1.2
138.03046	2.1
138.05490	1.6
142.03494	34.7
142.96681	4.2
143.03609	2.8
143.05400	11.1
145.10100	1.8
147.04443	2.0
147.11678	100.0
148.07587	1.9
148.12007	3.8
152.05876	2.5
160.04541	16.5
161.04633	1.7
165.05304	2.6
165.07785	2.3
165.09029	8.0
165.12746	82.4
166.13071	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	165.1275
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03922	4.2
54.03459	1.5
55.01865	4.2
55.05296	1.1
55.05506	11.2
56.05024	2.3
56.96558	8.0
57.03438	5.2
57.07064	3.9
58.06589	2.2
65.03918	3.1
66.04691	1.1
67.05499	30.8
68.05007	3.4
68.05837	1.5
68.99770	1.8
69.03426	9.6
69.04536	1.1
69.07063	9.0
70.06582	5.4
71.04974	3.2
71.59835	1.1
73.80213	1.1
77.03929	1.2
79.05487	34.5
80.05018	6.0
81.03410	6.4
81.04532	2.4
81.07051	75.4
82.06561	4.8
82.07378	1.6
83.04987	7.4
83.06100	3.3
83.08597	3.1
83.93028	3.0
84.04482	1.4
84.08136	1.8
85.02873	1.3
85.07672	1.8
91.05471	40.7
93.05780	1.5
93.07038	42.4
94.06568	2.5
95.04962	17.4
95.06062	2.5
95.08604	34.9
96.04482	2.5
97.06512	4.7
97.07627	1.2
98.06063	1.5
99.05562	1.3
100.02464	2.7
101.00872	10.4
101.02539	2.6
101.04303	2.7
102.02213	2.1
103.05449	5.1
105.03367	1.7
105.04499	1.9
105.07024	62.9
106.06539	6.5
106.07287	1.8
107.04903	2.7
107.06065	2.0
107.08586	52.6
108.04460	2.0
108.05647	1.4
108.08878	1.5
109.02859	1.5
109.06514	36.2
109.07635	2.3
109.10134	11.6
110.06050	2.3
110.07199	2.4
110.09603	1.3
111.09207	2.4
117.07027	2.5
118.03493	2.1
119.01915	100.0
119.04902	13.0
119.05715	1.4
119.06120	1.6
119.08572	54.9
119.95124	1.9
120.01996	7.4
120.05637	2.0
120.07242	1.4
120.08099	24.1
120.08890	2.7
121.06503	1.6
121.07613	1.5
121.10131	45.6
122.03648	2.1
122.06023	1.3
122.07159	4.5
122.10458	1.4
123.04417	5.4
123.06711	1.8
123.08061	32.6
123.11677	13.8
124.02449	1.9
124.04988	1.6
124.08724	5.6
125.09467	1.5
127.07551	12.6
128.97824	2.7
133.02843	4.1
136.07538	3.1
136.88731	1.0
137.02956	57.9
137.05083	1.7
137.05948	10.4
137.06963	1.9
137.07965	1.3
137.09615	13.4
137.10614	1.9
137.13269	2.4
137.98314	4.9
138.03015	5.2
138.05469	3.9
138.09128	4.3
138.10112	1.5
142.03485	63.9
142.96704	12.4
143.00142	1.9
143.03601	3.9
145.10075	2.9
147.04401	19.8
147.08047	3.8
147.11679	69.8
148.04880	2.6
148.07504	4.5
148.08656	4.1
148.12003	3.0
151.06261	1.4
160.03339	2.2
160.04558	30.4
161.01201	3.1
161.04732	2.5
165.01810	2.2
165.05521	14.8
165.06740	3.9
165.07758	2.7
165.09039	15.0
165.11409	6.4
165.12733	78.5
165.98291	1.4
166.04976	4.6
166.06290	1.2
166.08638	10.3
166.13214	2.7
183.06189	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
64.00782	0.3
70.79472	0.3
70.79810	0.7
82.99864	1.0
91.57976	0.3
100.02489	1.1
101.00875	16.8
118.03506	0.6
119.01917	100.0
120.02006	2.8
121.02356	0.3
124.02438	2.9
137.02951	36.6
138.03040	1.2
138.42899	0.3
139.03319	0.3
142.03494	62.3
143.03674	2.6
160.04558	20.5
161.04701	1.0
165.05109	1.0
183.06187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
55.01855	4.3
55.05508	8.6
56.96562	7.5
57.03434	6.2
57.07075	2.3
58.15054	1.1
62.63221	1.0
65.03909	1.4
67.05502	40.1
69.03427	3.6
69.07066	8.4
70.26829	3.7
71.04986	2.9
71.44814	1.0
79.05488	38.6
79.92056	1.0
80.05006	1.3
81.03407	1.2
81.07053	79.1
82.06555	1.4
82.07372	1.4
83.04977	9.6
83.08598	1.4
83.97629	1.1
84.15699	1.0
85.06533	6.1
91.05476	41.8
92.05800	1.5
93.07040	41.2
94.07350	1.3
95.04957	12.8
95.08044	2.0
95.08603	24.2
96.04494	1.3
97.06526	8.6
98.20789	1.3
99.08113	1.3
101.00867	8.6
101.02562	1.3
103.05470	2.3
105.07024	69.8
106.06620	1.2
106.07259	1.7
107.04895	1.2
107.08595	23.3
109.02338	1.3
109.06519	14.3
109.10165	7.0
117.07021	1.9
117.40582	1.0
119.01917	58.6
119.03676	2.1
119.04932	3.1
119.08572	59.4
120.02026	3.1
120.08080	3.2
120.08891	2.6
121.10136	61.6
122.10448	3.1
123.08063	9.1
123.11718	9.1
124.02456	1.9
133.05412	1.0
134.04872	3.2
136.07600	1.4
137.02953	24.1
137.05997	1.1
137.09578	5.9
137.13258	2.1
137.98361	1.2
138.03046	2.1
138.05490	1.6
142.03494	34.7
142.96681	4.2
143.03609	2.8
143.05400	11.1
145.10100	1.8
147.04443	2.0
147.11678	100.0
148.07587	1.9
148.12007	3.8
152.05876	2.5
160.04541	16.5
161.04633	1.7
165.05304	2.6
165.07785	2.3
165.09029	8.0
165.12746	82.4
166.13071	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	164.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23967	0.1
50.77129	0.1
51.02399	0.3
52.88753	0.2
53.03941	2.1
54.03469	0.8
54.04276	0.2
55.01912	0.7
55.05548	0.5
56.05060	0.2
56.96601	0.5
57.03444	0.2
58.06623	0.2
58.20588	0.2
59.06155	0.2
63.02385	0.2
63.92961	0.2
65.03941	0.9
67.04261	0.2
67.05499	1.8
68.05039	0.3
69.03448	0.3
69.07094	0.3
70.02966	0.3
70.06606	0.3
71.12124	0.3
71.12466	0.2
72.04515	1.0
73.04898	0.1
74.02438	3.1
75.02807	0.6
77.03971	0.6
78.04719	0.2
78.95307	0.3
79.05491	2.4
79.05894	0.2
80.05009	1.3
80.05837	0.3
81.03414	1.6
81.04585	0.2
81.07047	2.0
82.02931	1.3
82.06572	1.8
83.01390	0.5
83.03317	0.2
83.05006	0.4
83.06120	0.4
83.31932	0.1
85.02922	0.2
89.03950	0.3
90.04268	1.0
91.05476	9.7
92.05827	0.4
92.29287	0.1
93.05776	1.7
93.07037	5.7
93.07606	0.3
94.06597	1.3
94.07374	0.3
95.04961	5.9
95.06042	0.3
95.08656	0.6
95.21287	0.2
96.04523	0.4
96.05285	0.3
99.05592	0.4
100.02497	3.3
100.03971	9.6
100.05862	0.9
101.00872	0.4
101.02613	0.2
101.04317	0.5
103.05475	0.4
104.05820	0.7
105.04509	1.0
105.07025	1.3
106.06572	0.2
107.04965	0.3
107.06098	0.3
107.08592	0.8
108.04500	1.1
108.05257	0.3
108.08117	4.0
108.08861	0.3
109.02878	0.2
109.06533	0.7
109.07647	0.3
109.08440	0.2
109.10123	0.4
110.06072	0.3
111.04391	0.2
111.09172	0.3
117.03362	0.3
117.05763	0.3
118.03537	2.9
118.04998	2.5
118.06504	0.9
118.31224	0.2
119.01919	6.5
119.04962	0.8
119.08566	1.3
119.97929	0.2
120.08110	0.2
121.06502	0.2
121.10120	0.8
122.06039	1.0
122.07171	0.6
122.10461	0.2
123.05527	0.2
123.08080	0.6
123.11713	0.2
124.04074	0.2
126.05512	3.1
132.05237	0.8
133.02843	0.2
133.05092	0.2
134.06061	0.2
134.10419	0.2
135.04448	0.2
136.04825	1.6
136.07568	100.0
136.51532	0.2
137.01950	0.3
137.02951	4.1
137.05954	0.4
137.07164	0.3
137.07933	3.7
137.09601	0.4
138.10201	0.2
140.07050	4.1
141.05124	0.3
142.03487	4.7
146.03169	0.9
146.04466	0.5
146.05920	0.4
146.07976	0.2
146.10472	0.3
147.04414	1.6
147.08052	0.3
147.11676	0.9
148.08699	0.3
149.02377	0.3
158.96277	0.4
160.04539	2.0
164.03101	0.3
164.04434	2.2
164.07025	13.9
164.11742	1.0
164.14212	0.3
165.05531	0.9
165.07512	0.6
165.09085	0.6
165.11354	0.5
165.12718	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01616	0.2
51.02392	0.3
53.03941	2.2
54.03499	0.6
55.01907	0.6
55.05535	0.5
56.05042	0.2
56.96583	0.5
57.03457	0.3
61.72746	0.2
62.19836	0.2
63.92943	0.2
65.03935	1.1
66.93835	0.1
67.01884	0.2
67.05499	2.0
68.05050	0.3
69.03442	0.3
69.07088	0.4
70.02977	0.3
72.04512	1.0
74.02431	2.8
75.02800	0.5
77.03940	0.2
78.04728	0.3
78.95322	0.3
79.05484	2.5
79.87241	0.2
80.05012	1.1
80.05833	0.3
80.81418	0.2
81.03420	2.1
81.04561	0.4
81.07053	2.2
82.01456	0.2
82.02935	1.8
82.06574	1.3
82.07359	0.2
82.15322	0.2
83.01383	0.5
83.03278	0.3
89.03933	0.3
90.04247	1.3
91.05473	10.3
92.05851	0.3
93.05776	1.7
93.07032	6.2
94.02928	0.2
94.06564	1.2
94.07401	0.7
95.04961	5.7
95.05538	0.4
95.06075	0.3
95.08612	0.9
96.04507	0.6
99.05602	0.3
100.02491	3.8
100.03967	8.4
100.05881	1.0
101.00863	0.9
101.02626	0.2
101.04338	0.6
103.05479	0.5
104.05802	0.6
105.03400	0.2
105.04504	1.2
105.07011	1.0
106.06547	0.2
107.04999	0.2
107.06043	0.3
107.07386	0.2
107.08558	0.8
108.04485	0.9
108.05315	0.7
108.08116	4.4
108.08865	0.4
109.02839	0.2
109.06525	0.8
109.10164	0.5
111.04439	0.2
116.70920	0.2
117.07005	0.2
118.03545	4.3
118.04994	2.4
118.06473	1.0
118.07284	0.2
119.01914	8.2
119.04965	1.3
119.06112	0.2
119.08590	1.5
119.97890	0.2
120.05493	0.3
120.08109	0.3
121.02905	0.2
121.06478	0.3
121.10144	0.4
122.06040	1.4
122.07121	0.4
122.09678	0.3
122.10469	0.3
123.04337	0.3
123.08068	0.6
124.08728	0.3
126.05505	3.4
126.89764	0.2
132.05264	0.7
133.02812	0.4
135.04413	0.4
136.04813	2.0
136.07567	100.0
137.02957	4.8
137.05969	0.8
137.06956	0.2
137.07932	3.5
137.09613	0.7
140.07056	4.1
141.05017	0.3
142.03485	6.0
146.03233	0.7
146.04416	0.4
146.05960	0.5
146.10487	0.3
147.04376	1.9
147.08000	0.3
147.11667	0.7
148.08595	0.2
149.02298	0.3
158.96288	0.3
160.04543	2.4
162.12672	0.2
164.04425	2.0
164.07031	14.2
164.10498	0.6
164.11528	1.0
164.14311	0.5
165.01820	0.3
165.05487	0.9
165.07701	0.4
165.09111	0.9
165.11380	0.4
165.12733	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02380	1.3
51.38754	0.6
53.03944	8.0
55.01865	1.4
55.05507	4.3
57.02997	0.6
57.07066	1.1
63.30980	0.6
63.70641	0.6
65.03925	1.0
67.05500	14.3
69.03422	0.6
69.06757	0.6
69.07069	5.4
71.59348	0.5
71.59741	1.0
72.04518	1.1
72.66483	0.7
72.93782	1.4
74.02451	4.9
77.03938	1.7
79.05489	31.7
80.05029	0.8
80.05821	0.7
81.03416	3.1
81.07051	20.9
82.02941	0.6
82.06580	1.3
83.08627	3.7
85.02855	0.5
85.69712	0.5
89.03915	6.5
91.05473	8.8
92.02615	3.6
93.07039	26.1
94.06559	1.1
94.07354	0.7
95.04961	18.7
95.08601	18.1
96.05264	0.9
97.10123	0.9
99.05569	3.5
100.02477	13.1
100.03963	3.6
100.58012	0.6
103.05441	2.6
105.03380	5.1
105.04460	3.2
105.07024	3.5
107.04958	4.9
107.08588	25.4
108.08119	1.6
108.08901	1.1
109.10113	1.5
115.05457	0.9
117.03402	4.2
117.07010	2.1
118.03519	9.6
118.05009	2.3
118.06550	0.8
119.04950	1.3
119.08564	2.2
120.08128	0.7
121.06488	2.0
121.10136	31.5
122.09635	0.8
122.10455	1.1
123.04049	1.5
123.08141	0.9
130.06525	0.6
131.04945	2.7
131.97340	0.6
133.02849	25.7
134.03175	1.3
135.04413	34.6
135.08096	1.4
135.11682	3.5
136.04778	2.8
136.07552	2.3
138.03114	0.9
141.05063	1.6
145.02846	3.6
145.10077	1.4
146.03360	0.7
146.04477	2.4
149.04700	0.6
163.03896	100.0
163.07516	2.2
163.11151	6.7
163.12405	0.8
163.14815	22.7
164.04333	6.4
164.07043	3.2
164.10716	0.6
164.15164	0.8
170.73308	0.6
179.88821	0.6
183.20576	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0705
Annotation	WF 5239
Peak:m/z	Relative Intensity
50.01606	0.2
51.02392	0.3
53.03938	2.0
53.04153	0.1
54.03483	0.5
55.01881	0.5
55.05521	0.2
56.96569	0.3
58.89190	0.2
61.61230	0.2
64.56310	0.1
65.03941	0.9
67.01862	0.3
67.05505	1.5
67.05763	0.1
68.05021	0.2
69.03426	0.4
69.07070	0.2
70.02955	0.3
70.06574	0.1
71.58987	0.2
72.04523	0.5
73.04842	0.1
74.02435	2.1
75.02801	0.5
77.03930	0.5
78.04733	0.2
78.95301	0.2
79.05486	2.0
79.59349	0.1
80.05020	1.1
80.05828	0.3
81.03410	1.3
81.07049	1.6
82.01448	0.2
82.02924	1.1
82.06567	1.3
83.01346	0.3
83.04977	0.3
85.61287	0.1
86.06097	0.1
89.03892	0.3
90.04266	0.6
91.05473	8.8
92.05789	0.4
93.05792	1.6
93.07036	6.3
93.07622	0.3
94.03000	0.1
94.06578	1.0
94.07381	0.4
95.04961	5.3
95.08614	0.4
96.04497	0.3
96.05318	0.2
97.06530	0.2
97.07628	0.2
99.05603	0.2
100.02497	2.1
100.03968	6.4
100.05917	0.6
101.00880	0.5
101.02470	0.2
101.04317	0.2
103.05495	0.3
104.05810	0.5
105.03374	0.2
105.04523	0.9
105.07026	0.9
106.07336	0.2
107.04934	0.3
107.07294	0.2
107.08601	0.5
108.04476	0.6
108.05223	0.2
108.08112	4.7
108.08843	0.4
109.02956	0.1
109.06523	0.4
109.07698	0.2
109.10154	0.3
111.09203	0.2
117.05770	0.3
118.03536	1.9
118.05000	1.9
118.06530	0.6
119.01907	5.1
119.04963	0.6
119.08553	0.7
119.97897	0.2
120.08087	0.1
121.05199	0.2
121.08934	0.2
121.10104	0.5
122.06041	1.2
122.07196	0.3
122.10461	0.2
123.04405	0.2
123.08051	0.5
123.11666	0.2
124.02386	0.2
126.05514	3.4
132.05237	0.6
133.02852	0.3
136.07565	100.0
137.02946	3.0
137.05923	0.4
137.07001	0.2
137.07925	3.0
137.09569	0.3
140.07056	3.3
141.04988	0.2
142.03473	3.2
146.03285	0.4
146.04507	0.4
146.05997	0.4
146.10486	0.2
147.04414	1.1
147.08002	0.3
147.11653	0.7
148.08696	0.2
149.02252	0.2
158.96355	0.2
159.06226	0.2
160.04567	1.4
164.03171	0.3
164.04492	1.2
164.07042	13.5
164.11740	0.8
164.14253	0.3
165.01718	0.2
165.05345	0.6
165.07497	0.5
165.09042	0.4
165.11452	0.2
165.12729	0.8
172.13483	0.2
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
50.00586	0.7
51.02359	1.0
53.03743	0.6
53.03947	7.2
54.69745	0.6
55.01851	1.5
55.05511	7.7
56.02267	0.6
57.07064	1.5
60.33160	0.6
65.03923	1.2
67.05506	22.9
69.03403	0.7
69.06712	1.1
69.07063	10.5
69.07413	1.2
72.04514	1.3
72.93795	3.2
74.02098	0.6
74.02440	4.7
77.03918	1.4
79.05492	49.3
80.05814	0.7
81.03407	2.7
81.07056	37.5
82.02943	1.6
82.06597	1.1
82.07371	0.8
83.08612	4.8
83.62254	0.6
89.03902	2.3
90.94814	1.8
91.05475	11.2
92.02611	4.5
92.05767	0.9
93.07043	46.9
94.06610	0.8
94.07336	0.8
95.04358	1.1
95.04968	23.0
95.08602	31.9
96.05316	0.6
97.10184	1.2
98.21550	1.0
99.05563	2.9
100.02496	5.1
100.03984	4.9
103.05451	1.9
105.03394	5.3
105.04499	4.2
105.07030	3.8
106.06550	0.7
107.04964	4.9
107.08591	41.1
108.08157	1.6
108.08897	0.8
108.95819	0.6
109.06526	1.4
109.10125	2.7
113.96391	2.6
117.03343	1.9
117.07011	1.9
118.03520	4.5
118.04967	3.5
118.06538	1.6
119.04926	2.2
119.08572	2.3
120.02071	0.9
121.06495	1.1
121.10139	53.5
122.06048	1.1
122.10406	1.1
123.04016	1.2
128.62701	0.6
130.06532	0.7
131.04935	2.1
131.97456	3.3
133.02855	28.8
133.10211	0.9
134.03156	1.4
135.03383	1.4
135.04417	28.2
135.08029	1.7
135.11682	6.8
136.04759	1.6
136.07544	2.0
138.03154	1.5
140.98419	1.1
141.05141	1.0
145.02812	1.2
145.06387	0.8
145.10117	2.1
146.04494	2.4
163.03897	100.0
163.07547	2.7
163.11131	7.5
163.14818	40.1
164.04355	5.6
164.07056	3.7
164.10684	1.0
164.15204	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02367	1.6
53.03947	9.1
55.01859	2.8
55.05510	14.1
56.96553	1.1
57.03428	2.6
57.07064	2.9
60.04895	0.8
61.02918	8.6
61.87542	0.9
65.03930	3.8
65.40317	0.8
67.05502	41.3
68.05809	1.0
68.29693	0.8
69.03430	1.3
69.06715	1.3
69.07067	20.4
73.02905	3.4
74.02428	2.2
74.11086	0.8
77.03912	2.9
79.05491	97.9
80.05025	1.3
80.05820	1.9
81.03442	4.2
81.07053	62.8
82.01439	1.5
82.06564	2.6
82.07378	1.9
83.08620	10.3
85.02902	7.9
89.03935	1.2
91.03954	3.7
91.05474	25.1
92.02612	4.7
92.05723	1.0
93.07040	94.1
94.06564	0.9
94.07365	2.3
95.04969	26.4
95.08603	57.8
96.05285	1.4
96.08934	1.5
97.02876	2.3
97.10133	2.1
99.05566	2.1
100.02481	13.3
100.03978	2.6
103.05463	12.8
105.03395	6.8
105.04506	4.7
105.07035	10.4
106.06556	1.8
107.04960	9.2
107.08591	78.0
108.08204	1.0
108.08927	2.7
109.06496	2.3
109.10114	4.8
115.05476	0.8
117.03351	0.9
117.07007	7.2
118.03516	11.3
118.04967	1.7
118.06524	2.4
119.04961	1.2
119.08563	7.7
120.02080	0.9
121.06490	3.3
121.10140	92.3
122.06013	2.9
122.09678	1.6
122.10469	3.0
123.04063	1.3
130.06485	1.6
130.07774	2.8
131.04929	11.7
132.08086	1.1
133.02850	28.9
133.10132	1.8
134.03218	2.0
135.04416	27.6
135.08011	2.1
135.11699	13.9
136.04753	1.8
136.07571	2.3
141.05058	1.8
145.06544	0.9
145.10110	8.4
146.04503	2.0
146.05997	1.4
163.03902	100.0
163.07542	6.1
163.11165	19.8
163.14815	65.9
164.04410	5.4
164.05511	0.9
164.05881	0.8
164.07030	6.0
164.10544	1.1
164.15146	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	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.01596	0.5
51.02372	1.1
53.03946	7.1
54.03468	0.8
55.01871	2.1
55.05509	14.7
55.99453	0.7
57.07067	2.7
60.92065	0.6
61.02914	1.3
64.04858	0.6
65.03934	2.2
67.05502	41.0
68.05817	0.7
69.03433	0.7
69.07064	14.9
71.60407	1.5
73.02911	0.7
74.02435	2.8
74.15172	0.7
77.03934	1.2
79.05491	88.8
80.05013	1.1
80.05818	1.9
81.03422	3.4
81.07053	65.6
82.02937	1.0
82.06577	1.9
82.07388	1.5
83.04969	1.1
83.08621	10.1
85.02899	1.4
89.03918	1.1
91.05478	20.3
92.02631	4.0
93.07040	90.5
94.06534	0.8
94.07362	1.6
95.04969	22.4
95.08601	61.4
96.05283	1.1
96.08943	1.6
97.10160	3.1
99.05576	2.5
100.02482	10.2
100.03967	2.5
103.05474	1.7
105.03407	4.8
105.04499	4.2
105.07026	7.3
107.04961	4.7
107.08591	73.5
108.04446	0.9
108.08199	1.3
108.08926	2.3
109.06505	1.7
109.10165	4.1
115.05434	0.8
117.03402	1.0
117.07021	2.8
118.03526	9.3
118.04984	1.6
118.06586	1.0
119.08581	4.6
121.06595	1.4
121.10139	100.0
122.09679	1.6
122.10478	3.2
122.80672	0.6
123.04060	0.9
130.06531	1.0
130.07736	0.9
131.04915	1.6
132.08092	1.4
133.02847	23.7
133.10112	0.7
134.03201	1.4
135.04420	25.0
135.08070	1.1
135.11674	12.1
136.04756	1.8
136.07614	1.9
138.03165	1.4
141.05087	1.0
145.02853	0.7
145.06525	1.4
145.10109	2.9
146.04492	1.5
146.06006	0.8
158.29051	0.7
163.03900	89.3
163.07532	2.0
163.08673	2.2
163.11168	12.1
163.14816	70.1
164.04364	4.9
164.07034	3.9
164.10588	0.9
164.15182	2.9
175.44408	0.8
177.09842	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02389	0.5
53.03954	2.2
54.03470	3.4
55.01861	2.4
55.05505	2.1
56.05033	0.6
56.96560	0.7
57.03430	0.8
65.03944	0.7
67.05515	2.1
68.05015	0.8
69.03429	2.5
69.07071	2.7
69.48356	0.4
69.48764	2.7
71.05003	0.8
71.06120	1.7
71.49530	0.3
72.04144	0.6
72.04520	8.9
72.49238	0.3
73.02908	1.2
74.02443	44.9
75.02763	0.4
77.03934	0.5
79.05494	13.0
80.05008	0.5
80.93060	0.4
81.03411	1.3
81.04536	0.7
81.07060	4.3
82.02946	8.8
82.06580	1.6
83.01348	2.1
83.04971	1.1
83.06083	0.6
83.08614	0.4
85.02879	0.9
89.03919	13.0
89.33659	0.3
90.04263	0.5
91.05482	9.2
92.02643	0.4
93.07050	13.6
95.01245	0.3
95.04972	6.6
95.06072	1.1
95.08607	2.7
96.06855	0.5
97.07650	0.7
98.20762	0.8
99.05581	33.2
100.02526	2.1
100.03979	18.6
100.04654	0.7
100.05906	0.5
101.02422	0.7
103.05472	13.6
104.05808	0.5
105.03390	1.2
105.04508	1.1
105.07035	7.5
106.06522	0.6
107.04961	13.3
107.06077	0.6
107.08595	16.0
108.05613	1.1
108.08114	0.7
108.08905	0.5
109.06505	1.5
109.10104	0.5
115.05465	1.6
117.03378	9.8
117.07059	7.8
118.03564	1.7
118.05020	19.4
119.03475	0.6
119.04884	0.5
119.06067	0.7
119.08592	6.4
119.97903	0.4
120.05569	0.8
121.02861	0.4
121.06513	5.2
121.10149	7.8
122.06075	0.7
122.07163	2.2
123.07954	1.0
128.02541	0.4
128.03461	1.0
129.06982	0.7
130.06590	0.7
130.07787	1.9
131.04936	13.6
132.08113	1.0
133.02861	3.4
133.06499	2.7
133.10127	0.4
134.07210	0.4
135.04420	21.3
135.08040	4.8
135.11682	4.3
136.04755	0.7
136.07590	3.1
136.08687	1.1
143.08554	0.6
145.02855	7.1
145.03954	0.6
145.06386	3.0
145.10123	12.0
146.04486	27.8
146.07037	1.0
146.10460	0.6
147.04774	0.5
147.08064	3.5
148.05154	0.5
148.07585	0.5
148.08830	11.6
163.03912	32.1
163.07552	8.3
163.09938	3.4
163.11174	100.0
163.14775	2.9
164.03242	0.5
164.04427	0.8
164.05733	0.6
164.06914	2.2
164.11581	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.3
53.03937	1.0
54.03463	2.3
55.01868	1.6
55.05504	1.5
56.05029	0.3
56.96559	0.4
57.03422	0.5
63.02366	0.3
65.03926	0.5
67.05500	1.9
68.05018	0.3
69.03425	1.7
69.07063	2.8
71.04987	0.3
71.06110	0.9
71.09462	0.6
72.04514	5.7
73.02913	0.8
74.02435	28.0
77.03889	0.5
77.29420	0.2
78.95244	0.2
79.05489	9.0
79.05957	0.4
80.05015	0.6
81.03400	0.9
81.04530	0.4
81.07050	3.1
82.02935	6.1
82.05313	0.3
82.06564	0.9
83.01338	1.2
83.04986	1.1
83.06084	0.2
83.08608	0.3
85.02892	0.5
89.03909	8.6
90.04253	0.2
90.05577	0.2
91.05474	5.4
92.05811	0.4
93.07033	8.9
94.06560	0.2
94.07345	0.3
95.04963	3.9
95.06053	0.5
95.08595	1.6
96.06916	0.2
99.05569	21.0
100.02519	1.1
100.03969	11.5
100.05881	0.4
101.02350	0.6
103.05457	10.5
104.05776	0.3
105.03407	0.5
105.04498	0.6
105.07024	5.2
106.06588	0.2
106.07332	0.3
107.04945	11.0
107.06071	0.3
107.08585	8.4
108.05711	0.2
108.08105	0.6
108.08861	0.3
109.06512	0.7
109.07631	0.3
115.05444	0.8
117.02710	0.2
117.03371	6.3
117.07039	5.8
118.03555	1.2
118.05006	11.5
118.07291	0.3
119.03428	0.2
119.04909	0.5
119.08572	2.7
119.97875	0.2
120.05652	0.3
121.06493	3.5
121.10130	3.8
122.03593	0.3
122.07163	1.1
123.07973	0.8
128.03441	0.6
129.06973	0.3
130.06696	0.3
130.07770	2.1
131.04912	10.7
132.05273	0.4
132.08081	0.4
133.02832	1.7
133.06487	2.7
133.10086	0.3
134.05927	0.2
135.04410	13.8
135.08037	3.9
135.08926	0.1
135.11688	2.9
136.04749	0.8
136.07555	1.5
136.08670	0.6
143.08539	0.7
145.02837	4.8
145.03900	0.4
145.06363	1.3
145.07494	0.2
145.08908	0.2
145.10104	9.3
146.04471	18.2
146.07025	0.5
146.10458	0.5
147.08026	3.7
148.05159	0.4
148.08815	13.1
149.02292	0.2
149.09094	0.3
163.03896	18.1
163.07547	6.1
163.11159	100.0
163.14743	1.8
164.04291	0.6
164.05717	0.3
164.06952	1.2
164.11523	3.7
164.14316	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Caudoxirene
Peak:m/z	Relative Intensity
51.02372	1.4
53.03947	10.2
54.03453	0.6
55.01855	2.0
55.05511	5.7
56.96565	1.1
57.03423	2.0
57.07070	1.3
60.09138	0.6
61.46076	0.6
65.03925	2.4
67.05501	8.6
69.03425	1.7
69.07066	16.9
69.55599	2.5
69.56028	2.1
70.19714	0.5
71.04978	1.6
71.25735	0.6
72.04513	1.6
74.02442	5.8
77.03920	2.5
78.63372	0.8
79.05493	42.9
80.05025	0.7
80.05827	0.9
81.03413	1.6
81.07066	6.0
82.01463	1.0
82.02936	2.0
82.06579	1.3
83.01344	0.8
83.04961	2.1
89.03913	2.9
91.05483	20.1
92.02633	4.7
93.03408	1.6
93.07047	27.6
94.06558	0.9
94.07375	0.9
95.04971	24.8
95.08608	2.6
95.66745	0.6
99.05574	2.6
100.02483	10.8
100.03961	3.8
103.05448	6.8
105.03387	5.5
105.04490	4.2
105.07026	12.4
106.06512	0.9
106.07325	0.7
107.04958	16.1
107.08595	11.3
108.05719	1.4
109.06507	1.9
113.73938	0.7
115.05450	1.7
116.04896	0.6
117.03363	2.2
117.07015	16.2
118.03522	9.2
118.05018	2.2
118.06585	0.8
119.08575	4.6
121.06512	7.1
121.10127	3.1
122.06002	0.7
128.06264	1.0
129.07001	1.0
130.07787	5.4
131.04944	6.1
132.05260	0.7
132.08092	1.0
133.02852	26.1
133.10132	1.4
134.03180	0.9
135.04416	30.1
135.08044	1.7
135.11699	6.7
136.04726	0.9
136.07567	1.5
138.03160	0.9
141.05098	0.7
143.08560	2.1
145.02824	1.5
145.06482	1.4
145.09018	1.2
145.10124	16.2
146.04442	3.8
146.10429	0.9
163.03906	100.0
163.07491	3.7
163.11168	21.7
163.12505	1.3
163.14775	0.7
164.04344	4.6
164.07060	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Caudoxirene
Peak:m/z	Relative Intensity
50.99472	1.0
51.02376	1.2
52.12760	1.1
53.03949	7.2
53.07577	1.0
54.03460	4.8
55.01860	4.4
55.05507	12.5
57.03423	5.0
57.07053	2.0
63.02362	1.5
65.03920	3.1
67.05167	2.0
67.05502	25.8
69.03416	4.8
69.07066	10.9
69.83892	5.9
71.04976	4.1
71.06110	1.8
71.82381	1.0
72.04507	8.7
73.02903	1.0
74.02437	45.7
77.03921	2.6
79.05492	77.6
80.05820	1.7
81.03394	4.1
81.07046	23.1
82.02927	11.3
83.01329	2.2
83.04971	6.2
85.02864	1.6
89.03912	30.5
91.05480	67.2
92.05807	1.6
93.07040	100.0
94.07346	2.5
95.04967	21.8
95.06071	1.3
95.08587	4.6
97.06511	2.0
98.20809	1.4
99.05573	36.2
100.03979	19.6
103.05463	9.6
105.04501	3.0
105.07022	44.4
107.04948	31.5
107.07856	2.3
107.08589	44.3
108.08914	2.0
109.06492	7.3
115.05446	5.9
116.06176	1.2
117.03379	24.1
117.07020	35.4
118.03701	1.2
118.05013	19.1
119.08573	22.5
120.05553	1.3
121.06490	25.0
121.10136	8.9
122.07187	1.5
128.03436	2.1
128.06198	1.5
129.06981	3.3
130.07794	18.5
131.04913	3.8
133.02855	1.9
133.10104	10.5
135.03378	2.3
135.04407	44.5
135.08093	6.0
135.10678	2.2
135.11690	39.8
136.04756	1.2
136.08658	1.9
136.11972	2.0
143.08588	6.8
145.02847	18.6
145.03969	1.9
145.10114	74.1
146.04483	30.4
146.10434	3.4
148.08791	1.3
163.03897	53.2
163.07458	2.8
163.11168	89.5
164.04185	2.4
164.07098	1.3
164.11629	3.0
169.17677	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03945	1.1
54.03466	3.7
55.01863	2.0
55.05509	2.6
56.05015	0.3
56.96568	0.5
57.03433	0.8
57.07067	0.6
63.02363	0.4
65.03934	0.4
67.05506	2.1
68.05042	0.3
68.99797	0.3
69.03422	2.1
69.07063	4.3
71.04977	0.7
71.06124	1.4
71.06459	0.2
71.60081	0.4
72.04512	9.5
72.08147	0.3
73.02915	1.1
74.02437	45.4
75.02773	0.4
77.03930	0.5
78.95281	0.3
79.05489	11.9
80.05006	0.3
80.05811	0.3
81.03400	1.4
81.04533	0.9
81.07047	3.2
82.02937	9.8
82.05314	0.4
82.06579	1.2
83.01355	1.7
83.04978	0.9
83.06101	0.3
83.08606	1.3
84.04479	0.2
85.02882	0.9
89.03914	10.3
90.04242	0.4
91.05474	6.9
93.07037	13.1
94.06561	0.5
95.04964	5.7
95.06071	1.0
95.08597	2.4
96.06872	0.6
97.06516	0.3
97.07650	0.5
99.05572	32.9
100.02524	1.6
100.03970	17.0
100.05874	0.4
101.02386	0.9
103.05463	10.9
105.03384	0.7
105.04507	0.8
105.07024	7.1
106.06557	0.4
106.07301	0.3
107.04951	10.6
107.06078	0.6
107.08585	15.4
108.04510	0.3
108.05579	0.8
108.08099	0.8
109.06533	1.2
109.07608	0.4
115.05440	1.2
117.03375	8.6
117.05775	0.5
117.07073	4.8
118.03575	1.4
118.05006	19.0
118.06423	0.5
119.03432	0.4
119.04852	0.4
119.06065	0.6
119.08579	3.5
120.05624	0.8
120.08117	0.4
121.06499	4.6
121.10136	10.6
122.06091	0.2
122.07150	1.7
123.07982	1.0
128.03455	1.4
129.07030	0.5
130.06534	0.5
130.07779	2.3
131.04922	9.7
132.08060	0.7
133.02856	2.2
133.06502	2.6
133.10132	0.4
135.04414	18.2
135.08043	5.4
135.08852	0.2
135.11688	5.2
136.04724	0.7
136.07564	3.4
136.08684	1.1
143.08551	0.6
145.02847	5.9
145.03931	0.7
145.06104	2.3
145.10110	11.1
146.04475	28.5
146.07016	0.8
147.04849	0.3
147.08015	3.0
148.08824	11.9
158.96275	0.4
163.03900	24.1
163.07541	8.4
163.09914	3.8
163.11159	100.0
163.14780	3.9
164.04312	0.8
164.06964	1.8
164.08202	0.2
164.11543	4.1
181.02872	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
50.01601	0.7
53.00272	0.7
53.03936	1.4
55.69245	0.5
63.02369	1.8
63.42133	0.5
69.83171	2.3
69.83594	1.4
72.04519	0.6
74.02435	2.1
79.05488	9.0
81.52322	0.6
82.02931	0.6
88.43540	0.5
89.03909	67.4
90.04255	2.0
91.05504	0.9
95.04946	3.3
98.21494	0.7
99.05572	1.8
100.03954	1.0
101.52076	0.6
105.04532	1.1
105.07068	0.5
107.04948	13.5
117.03370	52.4
118.03715	1.3
118.04996	1.2
135.04405	100.0
136.04744	2.2
145.02835	47.1
146.03177	1.8
146.04488	1.4
163.03893	96.2
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	163.0388
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03939	1.4
55.01861	0.4
63.02368	1.9
70.83394	1.1
74.02452	1.8
77.03924	0.6
79.05485	9.9
82.82980	0.3
84.60330	0.3
89.03908	74.1
90.04243	1.7
92.28460	0.4
95.04958	4.0
97.28670	0.4
99.05566	1.4
105.04511	0.6
107.04942	13.6
110.87816	0.3
117.03367	57.7
118.03719	1.9
118.04959	0.4
127.82978	0.3
129.91116	0.4
130.46295	0.3
131.23677	0.4
135.04401	100.0
136.04718	3.1
145.02832	42.1
146.03172	1.7
146.04434	1.3
163.03888	80.0
164.04256	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	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03947	2.2
54.03466	0.8
63.02374	1.4
65.69497	0.5
67.05524	0.7
71.06110	0.6
71.58120	0.6
71.58447	0.8
72.04523	1.9
72.45112	0.5
73.00121	0.6
73.11200	0.5
74.02438	11.1
77.03942	0.8
79.05486	10.1
81.07026	0.6
82.02946	2.4
89.03915	66.3
90.04247	1.6
91.05486	2.1
93.07046	3.4
95.04955	3.7
99.05579	7.6
100.03978	4.5
103.05458	2.2
103.95360	0.7
105.04491	0.7
105.07036	1.5
107.04950	12.9
107.08578	1.7
108.05459	0.5
117.03376	47.6
117.07047	1.2
118.03710	0.9
118.05021	4.1
119.08600	0.9
121.06527	0.7
121.10114	0.6
122.03610	0.9
131.04904	3.2
132.02077	2.2
135.04411	83.2
136.04741	2.5
136.08678	0.5
145.02846	38.2
145.03893	1.7
145.10133	1.3
146.03281	1.2
146.04449	7.6
150.03075	0.9
163.03900	100.0
163.09908	1.0
163.11188	2.4
163.12354	0.5
164.04227	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	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
51.02388	0.5
53.03936	1.4
54.03456	2.5
55.01847	0.5
57.03420	0.4
61.10810	0.4
62.01595	0.6
63.02381	1.8
70.62722	1.6
71.06106	0.8
72.04511	4.9
73.02914	0.6
74.02434	22.9
75.84125	0.4
77.03918	0.5
79.05048	0.8
79.05489	11.2
82.02943	5.3
83.01316	1.0
85.02911	0.8
89.03912	67.6
90.04234	2.0
91.05489	1.0
95.04961	4.7
99.05571	18.4
100.03973	9.8
103.05452	0.6
105.04499	1.0
105.73788	0.5
106.81891	0.5
107.04949	15.7
107.08570	0.5
117.03372	52.6
117.06615	0.9
118.03688	1.4
118.05003	10.8
121.00732	0.6
122.07077	0.5
131.04875	0.6
135.04405	100.0
136.04759	2.6
136.08653	0.7
145.02838	39.1
145.03842	1.7
146.03276	0.9
146.04463	15.7
158.84166	0.5
163.03897	72.7
163.09753	0.8
164.04265	2.3
181.02838	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0711
Annotation	L-seryl-glycine
Peak:m/z	Relative Intensity
54.03468	9.9
55.01856	1.6
56.05036	0.9
57.03415	0.5
60.31512	0.3
70.38680	1.2
71.06112	3.6
71.89648	0.3
72.04511	19.4
73.02908	3.4
73.13313	0.3
74.02434	100.0
75.02757	0.4
81.92596	0.3
82.02935	22.1
82.38754	0.3
83.01335	3.6
84.04496	0.4
85.02900	0.9
86.79533	0.3
88.02657	0.3
88.27542	0.3
90.05538	0.6
90.34832	0.3
92.44215	0.3
98.21510	0.5
99.05567	76.4
100.03970	27.4
101.02377	2.0
115.98933	0.3
117.06609	3.3
118.05003	36.6
119.03400	0.9
128.03419	2.8
145.06067	3.7
146.04468	60.3
147.04810	0.6
163.07127	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	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.00301	0.5
53.03935	1.6
53.98299	0.4
55.01878	0.4
56.16804	0.4
63.02374	1.9
65.03942	0.7
70.30061	1.0
70.30444	0.7
72.04504	2.1
74.02438	9.7
75.73219	0.4
79.05486	10.6
82.02928	1.7
89.03909	71.2
90.04235	2.6
91.05476	0.7
95.04969	4.6
98.21385	0.6
99.05573	6.9
100.03958	3.4
100.48567	0.4
103.05457	0.9
105.04501	0.9
107.04943	14.4
107.08550	0.5
117.03370	58.0
118.03682	1.2
118.04993	4.2
122.07198	0.7
131.04926	0.8
135.04404	100.0
136.04729	3.0
145.02835	39.9
145.03836	1.6
146.03197	1.3
146.04472	5.8
163.03891	76.3
164.04271	1.9
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
50.64941	0.6
53.03940	1.2
55.01863	1.4
55.05502	4.9
65.15896	0.6
65.56535	0.6
67.05498	15.5
69.07066	5.6
71.60645	0.7
72.79209	0.6
74.06056	0.9
78.93089	0.8
79.05488	16.6
81.07055	23.3
91.05476	49.9
92.05806	1.5
93.07037	16.1
94.07376	0.6
95.04950	3.2
95.08610	8.5
103.05475	2.3
104.06246	1.3
105.07024	79.3
106.06610	0.9
106.07343	1.7
107.08594	5.2
115.05467	1.6
117.07008	7.5
118.04194	0.6
118.07794	0.8
119.08574	100.0
120.08145	1.0
120.08795	3.1
127.10298	0.7
131.08531	4.5
132.09315	1.7
133.06505	2.2
133.10123	61.6
134.05991	2.0
134.10448	2.0
135.30635	0.6
143.08545	1.2
145.10132	0.8
146.03641	0.9
146.10863	0.9
149.07492	0.6
159.11670	2.0
161.06088	3.1
161.07034	3.0
161.09639	5.4
161.13249	77.9
162.05531	4.0
162.11281	0.7
162.13557	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	162.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
54.03466	0.3
54.13924	0.2
55.01863	0.2
55.05512	0.7
56.05043	0.3
56.96574	0.6
57.03444	0.2
58.99607	0.2
59.42033	0.1
60.04514	0.2
61.05142	0.2
65.03946	0.2
67.05504	0.5
69.03442	0.4
69.07072	0.4
70.06624	0.2
71.06138	0.2
72.04523	1.3
73.02911	0.4
74.02442	4.5
74.06075	0.5
79.05499	2.5
79.49998	0.2
80.05005	0.2
80.80968	0.2
81.04523	0.2
81.07053	0.6
82.02953	0.9
83.01351	0.2
84.04495	0.4
85.02910	0.2
89.03916	3.2
90.26550	0.2
91.05481	1.6
92.05834	0.3
92.87914	0.2
93.07033	1.9
95.04983	1.3
95.06098	0.3
95.08617	0.3
97.02867	0.2
97.12853	0.2
98.06052	0.3
98.21587	0.4
99.05569	3.7
100.03994	1.2
102.09237	0.2
102.96895	0.2
103.05462	3.3
104.05807	0.2
105.03381	0.2
105.04549	0.2
105.07037	1.4
106.06559	1.2
106.07372	1.3
107.04954	1.8
107.08591	1.9
108.08125	0.6
115.05482	0.3
116.05028	0.2
116.05788	0.4
116.07104	0.3
116.98602	0.3
117.03372	2.4
117.05733	0.4
117.07008	0.6
118.05038	1.4
118.06538	1.4
118.07356	0.2
119.01819	0.3
119.04958	0.3
119.08526	0.4
120.08108	0.7
120.08922	0.6
120.97881	0.3
121.00733	0.2
121.06518	0.6
121.08874	0.5
121.10161	0.9
122.07172	0.2
130.06520	0.2
130.07759	0.2
131.04924	3.0
132.08084	1.9
133.02834	1.0
133.08910	1.0
133.09859	0.1
133.10016	0.1
134.05995	1.1
134.06857	0.4
134.09628	0.7
134.10493	0.6
134.99695	0.2
135.04419	6.1
135.08060	0.7
135.11688	0.7
136.08711	0.3
138.09084	0.2
138.98955	0.3
139.01859	0.3
144.06520	0.4
145.02852	2.0
145.03903	0.3
145.06310	0.3
145.10071	1.1
146.04488	2.9
146.09644	29.5
147.10437	12.1
148.05193	0.2
148.10770	0.2
158.01208	0.3
160.11176	0.4
162.05461	1.9
162.12773	100.0
163.03897	8.7
163.04964	0.3
163.07549	1.9
163.09767	0.5
163.11095	1.5
163.13110	3.8
163.14806	0.6
180.04465	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02372	0.6
53.03940	2.0
53.74504	0.3
55.01868	3.6
55.05477	0.3
56.96562	0.4
59.99343	0.3
63.27846	0.3
65.03943	0.6
66.04710	1.1
67.05489	0.5
70.73463	1.0
74.72813	0.3
77.03932	0.9
78.93119	0.7
79.05491	17.4
81.03407	0.5
81.07045	1.0
84.64027	0.3
87.30686	0.3
89.03912	0.9
90.04685	3.5
91.04955	0.5
91.05476	5.4
92.02606	1.0
93.07052	1.0
95.04959	5.3
95.08600	0.4
102.04668	0.9
103.05464	23.8
105.07025	100.0
106.07344	2.7
107.04954	1.0
115.05447	28.1
116.05796	0.8
117.07043	0.7
118.04155	17.7
119.04446	0.3
119.08577	10.4
119.95729	0.8
121.06427	0.5
125.63968	0.3
128.06348	0.4
131.04901	3.9
131.08574	0.6
132.05698	1.2
133.06487	45.8
133.10110	4.7
134.05971	0.3
134.06818	1.5
137.96733	0.4
143.04953	0.7
143.06030	4.2
146.03622	0.9
159.11725	0.3
161.05968	9.6
161.07184	0.7
161.08205	0.7
161.09578	2.9
161.13251	5.9
162.06430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03956	0.5
54.35353	0.1
55.01871	0.2
55.05512	5.9
55.98595	0.1
65.03949	0.1
67.05514	0.4
69.07066	2.6
70.65319	0.3
70.65671	0.2
72.16203	0.1
73.36634	0.1
79.05495	1.8
81.07060	0.7
86.48713	0.1
91.05482	7.8
93.07037	1.7
95.04961	0.4
95.08635	0.2
98.20858	0.1
103.05473	1.2
104.06266	0.7
105.03410	0.2
105.07031	15.7
106.06693	0.2
106.07346	0.3
107.08594	1.3
108.67645	0.1
109.06522	0.3
115.05448	1.1
117.07031	2.8
118.04158	0.3
118.07781	0.2
118.36767	0.1
119.08580	100.0
120.05595	0.3
120.08883	2.8
121.06391	0.4
121.10146	2.6
128.06212	0.3
129.54037	0.2
130.07790	0.1
131.04961	0.2
131.08574	2.4
133.06517	0.9
133.10130	16.2
134.06023	0.3
134.07059	0.2
134.10486	0.5
143.08534	0.2
144.09348	0.2
145.10153	0.3
146.07227	0.2
146.10902	1.1
159.11711	0.8
161.06012	0.8
161.08282	0.3
161.09618	1.7
161.13260	18.8
162.02272	0.1
162.05440	0.4
162.13663	0.9
181.53806	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	0.3
58.99847	0.2
69.42980	0.2
69.67738	1.1
77.07238	0.2
82.99824	0.8
83.99998	0.2
84.86386	0.2
98.97596	0.4
100.02499	0.3
101.00867	11.5
102.00934	1.0
102.96857	0.7
113.99393	0.2
116.98645	0.5
118.03506	0.6
119.01911	100.0
119.98219	0.2
120.02000	7.8
120.97919	0.6
121.01617	1.3
121.02254	0.2
124.97547	0.2
127.54509	0.2
133.03401	0.2
133.10072	0.2
133.98090	0.8
134.13029	0.1
134.99614	0.4
136.04529	0.2
136.48357	0.5
137.02946	49.6
137.49333	0.2
138.03033	3.6
138.04234	0.2
138.98915	0.6
139.02608	0.3
142.03500	1.8
143.01938	0.3
143.03636	2.7
144.03223	1.0
145.48865	1.3
154.49437	0.4
160.04550	0.7
161.02940	2.8
161.04643	2.8
162.04300	0.7
179.04002	6.5
179.05592	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02371	0.4
53.03950	1.6
53.74186	0.2
55.01868	4.2
56.96556	1.0
60.95856	0.2
62.67238	0.2
62.70093	0.2
63.02358	0.3
65.03936	0.6
66.04716	1.9
67.05495	0.8
68.02625	0.3
69.03410	0.4
69.07064	0.3
70.35081	0.6
70.35476	0.5
77.01402	0.2
77.03909	0.4
78.04747	0.3
78.92462	0.2
78.93118	1.3
79.05489	19.6
80.05811	0.6
81.03417	0.5
81.07082	1.1
88.22622	0.2
89.03886	1.2
90.04704	3.2
91.05480	7.1
92.02610	1.0
93.07047	0.8
94.04198	0.3
95.04966	5.1
95.08610	0.4
96.94160	0.4
97.02847	0.3
97.83989	0.2
102.04663	0.8
103.05465	23.7
104.51594	0.3
105.07026	100.0
106.06638	0.4
106.07371	2.8
107.04951	1.3
113.02341	0.3
115.05450	27.7
116.05736	1.5
116.07043	0.4
117.07007	1.0
118.04157	19.5
119.04436	0.3
119.08583	5.8
119.95750	0.9
120.05625	0.3
121.06413	0.3
126.90942	0.3
127.05380	0.2
128.06163	0.6
131.04919	4.3
131.08592	0.3
132.05733	1.2
133.06487	48.1
133.10115	3.4
134.05968	0.7
134.06882	1.2
137.96815	0.9
139.01868	0.3
140.77063	0.2
143.04926	0.7
143.06038	3.4
143.08551	1.0
144.08134	0.3
146.03592	1.5
146.07277	0.3
161.05972	9.7
161.07100	0.9
161.09587	3.9
161.13249	4.5
162.03430	0.3
162.05486	1.1
180.04442	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.1121
Annotation	Pargyline
Peak:m/z	Relative Intensity
51.02408	0.3
53.03977	0.3
55.01898	0.3
55.05538	0.9
56.96589	0.7
59.49576	0.2
59.93130	0.2
60.03806	0.2
65.03980	0.2
67.05548	0.4
69.86263	1.2
78.93132	0.3
79.05499	2.3
79.05899	0.2
80.05024	0.5
80.21497	0.2
81.05846	0.2
81.07088	0.3
82.06609	0.3
90.04729	0.4
91.05483	2.8
92.05815	1.2
93.07077	0.5
95.04990	0.7
95.08643	0.3
98.21473	0.3
103.05450	1.8
105.07028	10.9
106.06571	1.0
106.07309	0.3
114.05512	0.2
114.40217	0.2
115.05454	3.0
115.06257	0.3
117.05757	0.8
117.07069	0.9
117.95975	0.2
118.04173	1.6
118.06544	1.9
118.07385	1.4
118.96759	0.9
119.07335	1.4
119.08561	1.3
119.95798	0.3
128.06204	2.0
130.06519	1.4
130.07333	0.4
131.04944	0.6
131.07315	0.8
131.08569	1.9
132.08051	0.9
132.08911	7.9
133.06485	4.9
133.07265	0.1
133.10130	0.6
134.09312	0.2
136.07628	0.8
137.96805	0.4
143.08556	0.6
144.08080	45.0
145.08868	14.4
146.03596	0.3
146.09233	0.4
154.96472	0.4
157.10005	0.2
158.09587	1.2
160.11197	100.0
161.05965	1.5
161.08183	0.2
161.09589	0.4
161.11557	5.0
161.13185	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.4
55.05528	0.5
56.05035	0.5
56.50727	0.3
56.96568	0.9
57.03446	0.3
58.06598	0.6
59.06124	1.2
59.93111	0.4
60.04522	0.6
67.90617	0.3
68.05057	0.5
69.03426	0.7
70.06591	0.5
71.08630	47.6
71.26158	0.8
72.04515	37.4
72.08159	0.5
72.08956	0.6
73.02916	16.3
75.05611	0.5
75.30232	0.3
78.80050	0.3
78.93108	0.6
79.05492	2.9
80.61705	0.3
81.03410	0.5
81.81962	0.3
84.04521	0.3
86.06008	0.3
86.08469	0.4
86.09699	0.4
88.11267	100.0
89.11131	0.3
89.11591	1.9
90.04694	0.3
90.05563	3.0
91.03950	0.4
91.05491	1.5
93.04520	0.5
95.04951	0.6
96.04481	0.3
101.07148	0.4
102.05547	0.4
103.05463	2.3
105.03381	0.3
105.04566	0.3
105.07029	13.6
105.17093	0.3
112.05078	0.5
113.07133	0.8
114.05526	0.9
114.09213	0.5
114.12797	1.7
115.05467	4.0
116.98640	0.3
117.05768	0.5
117.06996	0.5
118.04150	1.9
118.06533	0.9
118.07326	0.4
118.96774	1.4
119.01889	0.4
119.06015	0.4
119.08575	1.4
120.05491	0.3
121.06423	0.7
128.06183	0.6
131.04947	0.5
132.04463	0.6
132.05672	0.4
132.06570	0.6
132.08054	1.4
132.08934	0.6
133.06499	6.2
133.10100	1.5
134.07175	0.5
134.99631	0.4
137.00154	0.4
142.12270	32.2
143.06012	0.6
143.08406	0.4
143.12648	0.6
146.03584	0.5
146.07228	0.3
150.95728	0.4
154.96425	0.6
160.05069	1.1
160.06174	0.6
160.07430	2.5
160.13326	33.3
161.05975	3.1
161.07092	0.6
161.08270	0.7
161.09618	2.2
161.13470	1.3
173.05779	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	1.0
58.39398	0.4
71.40733	0.8
82.99803	0.9
92.62415	0.5
92.84047	0.4
98.97586	1.5
99.97910	1.0
100.02498	1.3
100.97211	0.7
101.00868	13.8
116.98620	1.8
117.99014	0.5
118.03503	5.2
119.01913	100.0
120.02010	1.7
121.01617	0.9
121.02383	0.5
124.02464	1.7
134.99649	0.8
136.02747	1.1
136.04547	4.8
137.02950	44.8
138.03114	0.6
142.03490	30.1
143.03595	1.6
145.48857	0.8
145.98923	0.4
155.32722	0.4
160.04550	30.8
161.02927	1.5
161.04605	1.6
178.05605	10.6
178.90381	0.5
179.04021	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	160.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
55.05498	0.5
56.05023	0.3
56.96545	0.8
57.03428	0.4
58.02943	0.3
58.06585	0.4
59.05909	0.1
59.06116	1.6
59.93097	0.5
60.04511	0.7
65.03929	1.0
68.05007	0.2
69.03416	0.4
70.06566	0.4
70.84394	0.4
70.84764	0.4
71.08605	0.8
72.04506	0.5
72.08142	0.5
73.02912	0.3
75.05591	0.2
76.93368	0.2
77.03908	0.4
79.05477	0.6
81.03408	0.5
84.04487	0.5
85.07655	0.4
86.06039	0.5
87.04486	0.3
87.05602	0.2
87.10041	0.3
88.03978	0.4
88.11252	1.4
90.03429	0.6
91.05495	0.9
92.05003	2.7
92.05804	0.2
95.04988	0.4
95.06022	0.2
96.04458	0.3
96.08925	0.2
97.02884	0.3
98.97584	0.3
99.05597	0.3
101.07128	0.3
102.05540	0.4
102.09155	0.3
103.05400	0.2
105.03365	0.5
105.04507	3.1
105.07021	2.3
107.06054	0.3
112.05091	0.4
113.02332	0.2
114.05502	0.7
114.09203	0.4
115.05463	0.9
115.09490	0.5
116.98647	0.4
117.05773	0.3
117.07014	0.4
117.98943	0.2
118.04157	0.4
118.06585	1.1
118.96772	1.2
119.01902	0.3
119.06086	0.3
119.08566	0.5
120.05579	0.4
121.06382	0.6
124.07578	0.2
128.06203	0.3
130.06490	0.3
132.05569	14.4
132.08101	0.7
132.08934	0.3
133.02827	0.7
133.03893	0.3
133.06491	0.7
133.10133	0.5
134.07140	0.3
134.99654	0.4
135.05518	2.3
137.02887	0.2
138.06595	0.2
142.04884	0.3
142.08565	0.3
142.09752	0.2
142.12260	0.6
143.08202	0.4
150.95706	0.2
154.96481	0.5
160.05051	100.0
160.13345	0.4
161.05342	2.7
161.07022	0.3
161.09572	0.8
161.13263	0.4
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
52.49896	0.5
53.03933	0.6
55.02821	0.6
55.92448	0.6
56.96584	0.7
67.05502	3.7
70.04120	3.2
70.68216	0.6
72.04520	0.7
76.93359	7.1
79.05495	4.7
80.97581	0.5
81.07068	3.2
85.06593	0.7
91.05483	17.2
92.05814	0.6
93.07063	2.3
94.94423	2.7
103.05466	1.5
105.07026	18.3
113.02347	0.9
114.05546	0.9
115.05443	6.1
116.06231	2.3
117.07019	51.6
117.95964	4.7
118.07376	2.2
118.96639	1.0
119.08586	6.2
122.31002	0.6
128.06207	1.1
129.06982	11.7
130.07793	14.1
131.08568	83.6
132.08939	3.3
134.99677	0.9
135.97044	4.1
141.01825	3.1
144.09355	9.5
145.09721	1.0
157.10149	3.4
159.08156	3.4
159.11687	100.0
160.07544	1.2
160.12016	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	159.0918
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
54.03502	0.7
55.01891	1.2
55.05518	1.3
56.05032	6.7
56.05279	0.6
56.96560	20.3
57.03457	2.0
57.21723	0.6
58.02981	1.1
58.06621	1.8
58.97095	0.5
59.05027	0.8
59.06117	4.9
59.93122	2.1
60.04536	2.5
60.58242	0.5
61.02943	1.4
67.05515	0.6
68.05029	1.4
69.03432	1.6
69.93412	0.6
70.06573	1.3
70.85246	1.9
71.01369	2.0
71.05006	0.8
71.06128	0.9
71.23692	0.5
71.95277	1.8
72.04522	3.2
72.06936	0.7
72.08175	2.0
73.02922	1.1
73.95700	0.9
74.06084	1.2
76.04025	1.8
76.93374	4.3
81.03466	0.8
81.04559	0.9
81.07066	0.8
83.06112	1.3
84.04496	5.2
84.96031	0.8
85.02905	1.2
85.04031	0.7
85.07670	1.3
86.02442	1.0
86.06096	1.7
87.04468	1.1
87.05610	2.1
88.03994	0.8
89.83038	0.7
91.05480	2.1
93.05759	1.0
94.94393	1.3
95.04999	0.7
95.06096	3.1
95.95165	0.6
96.04485	3.4
96.08122	0.9
97.07671	0.8
98.06108	0.9
98.97578	25.3
99.04510	0.9
99.05572	4.0
99.97926	2.0
100.03960	1.2
100.07629	1.0
101.07153	1.5
102.05536	2.9
103.05453	1.7
105.07016	2.1
111.05560	1.8
113.02363	1.6
113.07154	4.6
114.05539	2.0
114.09177	1.6
115.05447	28.4
116.03497	0.6
116.04998	1.0
116.05766	1.1
116.98610	37.3
117.01835	1.1
117.05766	16.2
117.06612	1.9
117.95988	2.7
117.98978	2.0
118.06551	6.1
118.96769	8.1
118.98946	0.6
119.01872	1.6
123.05611	1.0
126.00726	0.7
128.98624	0.7
130.06516	26.4
131.04886	1.7
131.06903	2.5
131.08537	2.4
132.08080	100.0
133.08420	2.5
134.99646	51.2
135.97011	2.1
135.99066	0.8
135.99971	3.6
137.00079	0.9
137.02917	0.7
140.00189	0.9
140.04912	1.1
141.01819	3.8
141.06599	3.4
142.03488	1.0
142.06505	39.5
143.07155	0.8
146.99646	1.0
150.95708	0.8
153.00702	12.7
153.96680	1.5
154.00964	1.4
154.59029	0.9
154.96452	3.3
158.01236	1.8
158.08386	1.3
158.99622	0.7
159.07797	6.4
159.09146	82.2
159.11388	2.4
160.04614	1.1
160.06216	0.7
160.07556	19.6
160.09520	3.4
172.97578	0.8
176.02251	0.8
177.00652	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10614	0.4
53.03953	0.5
53.27362	0.5
55.05513	0.7
56.05035	0.7
56.96563	21.7
57.07073	26.6
57.93569	1.4
59.93124	0.6
64.30466	0.5
67.05502	2.1
68.05044	0.6
69.03451	0.6
70.06596	2.0
70.85493	1.0
70.98112	3.4
71.01379	0.6
71.95252	1.3
72.04520	0.6
74.06084	1.0
74.93829	1.7
74.97612	0.5
75.93607	1.4
76.92932	0.8
76.93366	6.7
79.05495	1.4
81.07061	1.1
82.06595	0.4
84.04503	1.2
85.02911	0.7
86.06073	0.8
87.00813	5.1
88.99168	3.3
91.05478	4.3
92.94843	1.0
94.06583	0.5
94.94406	2.1
95.04962	1.5
98.06050	2.6
98.96917	0.9
98.97576	17.3
99.04439	1.1
99.05589	0.6
100.07602	1.4
102.09174	64.0
103.05463	0.6
103.09496	0.9
105.01825	0.7
105.07029	3.9
107.00165	2.2
109.10096	0.5
112.07606	2.4
115.05411	1.0
116.07071	1.9
116.08241	0.7
116.10721	1.8
116.97329	4.3
116.98612	22.9
117.01848	4.4
117.07009	8.7
117.95969	5.2
119.08548	1.3
122.28185	0.5
123.03877	0.5
128.07076	1.3
129.07014	2.5
130.06491	1.1
130.07780	1.1
130.59831	0.5
131.08560	12.2
133.02827	1.6
133.97450	0.6
134.03481	0.6
134.99654	31.4
135.03075	0.8
135.04411	1.1
135.97000	4.2
140.00180	1.1
140.07024	1.0
141.01767	1.4
143.07199	0.7
143.08267	1.7
144.02510	1.6
144.06252	1.1
144.09331	3.2
149.01137	0.6
152.96896	1.1
153.00702	7.0
157.10075	1.1
158.01259	3.0
158.04489	0.7
158.06021	1.0
158.08133	2.4
158.09613	25.1
158.15395	100.0
158.98582	0.5
159.02876	1.3
159.08026	2.4
159.10156	0.8
159.11678	18.1
159.15753	2.9
163.03900	20.4
164.04240	2.8
176.02228	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0917
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
50.01597	0.9
53.03936	0.9
54.03444	0.8
54.37131	0.8
55.01834	1.0
55.05491	1.7
56.05039	7.5
56.96566	28.8
57.03426	2.7
57.07044	0.8
58.02941	1.9
58.06575	2.4
59.06107	7.1
59.93095	2.8
60.04505	3.2
61.02902	1.7
68.05032	4.3
69.03405	3.7
69.07069	1.4
69.76720	4.8
70.06598	5.4
71.01337	1.2
71.04966	2.5
71.06089	1.7
71.06914	1.2
71.95262	2.0
72.04515	4.3
72.08144	1.8
73.95694	1.2
74.06075	1.9
76.03983	2.8
76.93372	5.9
77.94131	1.4
79.05466	1.3
80.05025	1.0
81.03398	1.5
82.02921	1.2
82.06564	1.1
82.25635	0.9
83.01288	0.8
83.04966	1.3
83.06091	2.0
84.04502	8.3
84.08125	2.0
85.02872	3.0
85.03992	1.2
85.07634	2.3
86.02409	1.3
86.06055	3.2
86.09701	1.1
87.04440	1.4
87.05508	0.7
88.03974	2.9
91.05465	4.1
94.94393	1.9
95.06078	4.0
95.08585	1.0
95.95173	1.3
96.04465	3.2
96.08105	1.2
97.02880	2.3
97.07648	1.0
98.06021	1.5
98.97580	37.4
99.04457	1.7
99.05573	5.5
99.97890	2.2
100.03942	2.6
100.07594	1.7
101.07142	1.5
102.05511	3.1
103.05477	1.4
104.04953	1.0
105.07031	25.6
111.05553	2.3
112.01023	0.9
112.07574	1.3
113.02326	2.5
113.05923	2.9
113.07139	5.0
113.07870	1.5
113.10737	2.6
114.05502	5.2
114.09121	1.9
115.05450	32.6
116.05734	1.1
116.98615	55.3
117.01834	1.7
117.05770	28.5
117.06541	1.8
117.95962	3.0
117.97581	1.1
117.98954	3.1
118.06564	11.2
118.56897	0.9
118.96764	11.5
118.98882	0.8
119.01871	2.8
119.07320	78.4
120.07626	2.1
124.03929	1.3
127.00272	1.3
127.03748	0.9
129.06958	1.0
130.06572	4.1
131.04877	2.0
131.08513	3.1
131.11797	1.0
132.04466	1.7
132.08086	100.0
133.08398	2.8
134.01271	1.2
134.99651	84.1
135.97041	4.7
135.99982	5.4
136.02779	1.3
137.02956	0.9
140.00209	1.3
141.01791	5.2
141.06543	3.0
141.07497	1.0
142.03470	1.8
142.04910	1.3
142.05367	1.0
142.06511	13.6
142.08522	1.7
144.09312	0.9
147.04959	1.1
148.04146	0.8
149.06546	2.9
150.95697	2.1
153.00694	19.1
153.96716	2.4
154.59119	1.2
154.96474	5.1
158.01222	2.7
159.04413	1.4
159.07759	6.5
159.09152	92.4
159.11377	3.5
160.04668	1.5
160.06087	1.9
160.07481	4.2
160.09526	4.4
177.00722	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.042
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
54.77402	1.3
65.10945	1.1
69.72704	8.6
74.09712	22.4
77.88578	1.1
83.06091	2.5
83.78316	1.2
86.98065	1.2
93.04524	1.9
96.96904	3.8
98.35262	1.2
110.06021	1.6
110.07162	27.3
112.05262	1.3
130.06296	21.2
132.02000	2.6
133.01649	2.0
138.05478	2.6
145.60324	1.2
156.04205	100.0
157.04523	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0768
Annotation	Histidine
Peak:m/z	Relative Intensity
55.01869	4.6
55.05505	0.6
55.93526	0.4
56.05033	1.5
56.94305	0.2
56.96564	2.3
57.03428	0.8
58.06595	0.4
58.99857	0.3
59.52219	0.1
60.95867	0.1
61.02924	0.3
64.70638	0.1
65.03938	0.1
67.01867	0.2
67.05500	0.6
68.05025	1.4
69.03437	0.7
69.07047	0.4
70.06593	0.8
70.95858	3.7
71.04977	0.2
71.57957	0.1
71.58310	0.1
72.04527	0.3
72.08157	0.4
72.93784	3.8
73.02914	0.8
74.09734	0.1
74.93823	0.6
77.00915	0.6
78.52963	0.7
79.02996	0.2
79.05508	0.2
80.05011	0.3
81.03413	0.3
81.04541	0.9
82.01457	0.2
82.02932	0.2
82.05313	2.9
82.06580	1.5
83.00813	0.2
83.01350	0.4
83.04999	0.5
83.06098	11.8
84.01572	0.3
84.04492	0.7
84.06449	0.1
84.08167	0.7
84.99275	0.3
85.02884	0.6
85.07659	0.2
86.06064	0.2
86.09703	0.7
87.53477	0.2
88.96893	2.2
89.00879	0.1
90.01540	0.1
90.94824	1.4
91.02454	0.1
92.52686	0.3
92.94860	0.2
93.02058	0.4
93.04523	8.1
93.07034	0.2
94.06572	0.4
95.01334	0.6
95.01914	0.2
95.06084	7.6
95.28934	0.2
96.04497	0.6
96.06427	0.2
96.08151	0.3
97.02886	0.5
97.06522	0.3
97.07633	0.2
98.06046	0.2
98.07172	0.2
98.09669	0.6
98.97565	0.2
99.02079	0.2
99.04462	0.1
99.09197	0.1
100.02473	2.0
100.07622	0.3
101.00870	1.4
101.02566	0.2
101.53196	0.1
103.02436	0.7
103.52110	0.2
104.01922	0.2
105.02075	0.4
106.97934	0.3
108.95869	0.5
109.03510	0.2
110.07158	100.0
111.00791	0.6
111.02045	0.4
111.04431	0.4
111.05566	2.6
111.06847	0.4
111.07487	2.0
111.98458	1.6
112.03934	0.1
112.07618	0.2
113.02298	0.2
113.96395	0.5
114.04018	0.2
114.05553	0.1
115.02416	0.5
115.96430	0.4
116.00160	0.1
116.98633	0.3
117.01852	0.3
118.03522	1.5
119.01912	14.3
119.03633	0.4
120.01985	1.1
120.03286	0.3
121.01646	0.3
121.03495	0.4
126.82744	0.1
128.03384	0.2
128.07079	0.4
129.99518	1.3
130.03497	0.8
131.00175	0.2
131.01906	0.8
131.97452	0.5
132.02029	1.2
132.05061	0.6
132.95828	3.7
132.97546	0.1
133.01630	1.1
133.03456	3.9
133.97478	0.3
134.02948	0.3
137.02951	7.8
138.03065	0.5
138.05492	1.3
138.06554	0.3
138.09129	0.5
139.05025	0.3
139.08664	0.2
142.03493	5.3
143.03630	0.6
145.03409	0.2
146.07231	0.1
146.99612	0.3
149.01196	0.7
149.02913	0.2
150.03111	0.3
150.06035	0.1
150.96880	12.5
151.02675	0.4
151.04507	2.1
151.97046	0.4
155.97406	0.6
156.03044	0.2
156.05060	0.5
156.06543	0.6
156.07674	7.9
156.10202	0.8
156.11305	0.5
156.14966	0.2
157.01340	0.5
157.03418	0.2
157.04822	0.8
157.06093	0.2
157.07901	0.3
160.04549	2.4
161.02933	0.2
161.04663	0.2
165.05119	0.2
167.02248	0.4
168.01376	0.2
168.97914	0.9
173.98473	0.9
174.06126	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1429
Annotation	(-)-Carvomenthone
Peak:m/z	Relative Intensity
50.21860	0.6
53.00299	0.9
53.03955	0.7
55.01870	0.9
55.05508	4.6
55.58672	0.6
55.93525	1.4
56.96556	3.0
57.03432	0.9
57.06790	0.9
57.07070	15.7
63.85178	0.5
65.03951	1.1
67.05501	9.9
68.05036	0.6
69.03408	1.2
69.07063	6.0
70.23396	1.5
70.23788	1.2
70.95854	6.3
71.04987	47.2
71.08620	1.8
71.95268	0.5
72.05291	0.6
72.93781	100.0
73.02928	0.7
73.11078	0.5
73.93817	1.5
79.05489	1.5
81.07047	14.6
82.06567	0.8
83.04967	4.1
83.08634	1.0
84.04504	1.1
85.02893	0.8
85.06525	2.4
85.10174	37.2
86.10500	1.0
88.96902	2.1
90.94820	26.4
93.07047	1.0
95.04961	3.1
95.08598	22.4
96.04466	0.6
97.06546	0.8
98.98463	1.2
99.04453	1.8
99.08079	0.6
100.03961	0.6
103.02486	0.5
108.95856	7.3
109.02896	0.6
109.10139	4.0
110.06008	1.6
110.07185	0.9
111.04431	2.9
111.81187	0.5
111.98460	2.2
112.08721	0.5
113.06005	1.9
113.07138	0.5
113.09632	18.9
113.96393	42.3
114.96484	0.6
123.04421	1.4
127.03928	0.7
127.07538	1.1
129.99506	2.0
131.97427	46.3
132.95825	6.9
132.97531	0.7
137.05977	0.7
138.05472	1.4
139.61943	0.7
149.97200	2.1
149.98431	1.1
150.96880	19.0
153.06987	1.1
154.98996	3.2
155.03430	1.3
155.07016	6.7
155.08488	3.9
155.10732	1.0
155.14288	33.3
155.97420	1.0
156.08107	0.9
156.10263	0.6
156.14674	1.1
168.97867	0.6
173.98450	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.01873	1.0
55.05508	5.4
55.93525	1.8
56.05041	0.8
56.78053	0.4
56.93952	0.5
56.96566	2.3
57.03426	1.7
57.07071	100.0
58.07397	1.7
59.06124	0.7
65.03938	1.1
67.05503	9.3
68.05027	1.1
69.03432	1.8
69.04559	0.8
69.07071	2.5
70.06583	0.6
70.95860	10.5
71.01350	0.7
71.04987	2.1
71.06107	0.8
71.08627	0.9
71.58824	0.6
71.94106	0.5
72.04517	1.4
72.08161	1.2
72.93784	73.6
73.02900	1.0
73.93837	0.8
74.06076	0.5
79.05485	1.5
80.05023	0.6
81.03413	1.6
81.04529	0.8
81.07048	7.6
82.06583	0.8
83.04973	5.3
83.06086	1.1
84.04491	2.1
85.02887	1.2
85.04868	0.6
85.06059	1.0
85.06535	12.2
85.07661	0.5
86.06059	0.6
88.96898	3.6
89.02392	0.8
90.94817	23.4
91.05475	1.8
93.03368	0.7
93.07047	1.5
95.04961	7.5
95.06059	0.7
95.08611	5.0
96.04472	1.0
96.05582	1.0
96.08150	0.5
97.02897	0.9
97.04051	0.8
97.06510	1.3
97.07640	1.0
98.07159	1.5
98.98465	1.1
99.04446	3.2
99.05579	0.5
100.03997	0.8
103.05442	0.9
106.97944	0.5
107.08567	0.8
108.95855	6.4
109.02883	1.0
109.06513	3.0
109.10136	5.1
110.02396	0.7
110.06016	3.0
110.07171	4.2
111.04437	5.6
111.08057	1.3
111.98476	3.7
112.08723	1.8
113.02319	0.7
113.06004	4.6
113.07123	0.8
113.08282	1.2
113.96392	31.2
114.05583	0.5
114.06631	2.2
114.96671	0.7
115.05441	1.2
123.04407	1.9
127.03884	2.2
127.05402	1.2
127.07528	2.1
128.06230	0.6
128.07111	0.5
129.05466	0.9
129.99474	3.2
131.97423	35.9
132.95821	9.0
132.97446	0.8
135.07216	0.5
137.05966	1.4
137.07014	1.0
137.09592	2.0
138.05490	1.7
138.06584	2.0
140.04649	1.3
141.06927	0.7
145.06487	5.0
149.97188	2.2
150.00714	0.9
150.96881	28.5
153.06950	1.7
154.90678	0.6
154.99001	2.4
155.03444	1.1
155.04878	3.8
155.05983	2.8
155.07002	9.8
155.08478	7.3
155.10529	1.2
155.12903	1.8
155.14282	5.1
155.97374	1.2
155.99637	0.8
156.06451	1.3
156.07887	1.9
156.10167	1.0
156.11278	0.6
168.97971	1.4
173.98457	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	155.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03472	3.7
55.01873	9.0
55.05501	2.3
55.93512	1.4
56.05040	2.5
56.96558	3.5
57.04559	0.4
57.07074	17.9
59.06128	0.4
67.05495	0.8
68.05033	0.9
69.96166	0.6
70.06579	0.5
70.95863	14.2
71.06106	3.7
71.57308	0.7
72.04518	0.8
72.08150	5.3
72.93787	21.9
74.09715	31.2
74.84648	0.3
75.10059	0.4
76.71304	0.3
81.04533	0.9
81.07056	0.7
82.02939	100.0
83.03269	1.6
83.04991	1.6
83.06108	0.5
84.04521	2.3
88.96902	4.2
90.94825	4.6
95.04967	1.2
95.06110	1.2
96.04495	0.6
97.04050	0.5
98.07182	0.7
99.04475	0.9
99.05570	4.1
106.97955	0.8
108.95868	0.9
109.02876	0.7
109.06540	0.6
110.06037	0.5
110.07211	0.6
110.09667	3.3
111.04405	1.8
111.98480	4.7
113.06031	0.9
113.96394	4.9
114.06661	0.6
123.04475	0.4
127.03892	1.0
127.07615	0.5
127.12305	7.0
127.13217	0.5
129.99510	3.6
130.74850	0.4
131.96196	1.1
131.97452	4.2
131.99649	0.9
132.95821	13.5
132.96808	0.8
138.05499	0.4
138.06673	0.4
138.09160	1.1
149.97171	2.6
150.00758	0.9
150.96883	33.9
154.90718	0.3
155.03439	0.9
155.07011	2.9
155.08141	0.6
155.09235	0.7
155.11790	9.4
155.97455	1.3
156.07689	0.6
158.58420	0.4
167.98329	0.6
168.97981	1.7
173.98486	2.4
174.00706	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27344	0.2
53.03930	0.4
55.05507	4.7
56.05025	1.2
56.05837	0.5
56.96550	1.1
57.03429	0.3
57.07069	3.4
58.06582	0.4
67.05492	0.9
68.05030	0.5
68.96326	0.6
69.03426	1.0
69.07059	0.4
70.06580	1.0
70.94257	0.4
71.04980	1.0
71.13808	0.5
71.94121	0.6
72.05315	0.4
72.08157	0.3
72.93784	10.8
79.05485	1.9
80.05003	0.4
80.05807	0.5
81.04543	0.4
81.06575	0.4
81.07050	8.0
82.06582	1.4
82.07361	1.5
83.04977	0.8
83.07344	0.3
83.08617	1.7
84.04509	2.0
84.08135	0.6
85.06520	0.6
85.07696	0.3
90.94817	2.4
91.05479	0.8
92.05788	0.3
93.05799	0.5
93.07032	0.6
94.06571	0.4
94.07360	0.9
95.04954	0.9
95.06071	0.7
95.08620	0.5
96.04492	0.8
96.08124	0.7
97.05271	2.7
98.06056	3.1
98.06712	0.5
98.09676	2.0
99.04430	0.4
107.08603	0.3
108.04491	0.3
108.08105	3.0
108.08919	0.7
108.95847	0.6
109.02847	0.4
109.06506	5.8
109.07654	0.8
109.10141	0.4
110.06040	3.9
111.04437	0.8
111.05602	0.4
111.06812	3.7
111.09166	0.4
112.08734	0.5
113.05984	0.4
113.96390	5.4
124.07587	0.4
125.08374	0.9
126.05510	0.6
126.09147	3.1
130.96298	0.3
130.97717	0.3
131.97427	5.2
136.03889	0.3
136.07545	0.5
136.11998	0.5
137.05972	0.2
138.05501	0.6
139.06274	4.6
139.07507	1.1
140.04701	0.4
148.97325	0.7
149.97212	0.7
152.07043	0.8
154.08621	100.0
154.99042	0.3
155.03416	0.3
155.07097	1.5
155.09003	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	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.54321	1.1
53.03928	2.3
55.01867	4.1
55.05265	2.0
55.05509	23.2
56.96548	5.2
57.03415	5.2
57.07060	5.3
59.05000	10.0
65.03601	1.9
65.03936	36.1
67.05173	1.7
67.05502	21.9
68.05032	1.4
69.03425	10.0
69.04530	1.8
69.07066	47.4
69.98294	4.3
70.06579	2.8
70.94247	8.4
70.95864	1.3
71.04995	8.7
71.94086	4.6
71.95267	1.9
72.08144	1.6
73.06561	6.7
74.99355	1.2
79.05067	1.8
79.05492	23.5
80.05000	1.4
81.03384	1.2
81.07053	35.2
83.04979	16.0
83.06086	1.9
83.08628	10.9
84.04502	2.4
85.06523	1.9
88.95284	2.2
91.05476	17.1
93.03391	11.7
93.07039	78.3
94.06519	1.1
94.07391	1.8
95.04972	8.0
95.06070	2.9
95.08602	65.1
96.08920	2.3
97.02863	2.9
97.06525	52.4
98.21418	1.7
105.07015	4.8
107.04955	3.6
107.08591	100.0
108.04420	1.4
108.08924	3.3
109.06497	5.3
109.07634	2.3
109.10152	52.7
109.72931	1.1
110.03642	6.4
110.07160	1.7
110.10472	1.5
111.04436	69.3
111.08061	10.7
111.09209	2.0
111.11676	1.1
111.96836	2.5
112.08688	4.3
113.05780	1.8
119.08564	3.4
123.11694	2.4
125.02332	1.2
125.05987	22.4
125.06898	2.1
125.09623	2.0
126.05490	1.7
126.10281	1.1
129.97908	3.8
130.96150	1.0
131.00160	2.5
135.04401	5.3
135.08060	3.9
135.11685	50.3
136.07628	2.1
136.08661	2.8
136.12054	2.6
138.06689	1.3
148.97348	2.3
149.01176	3.6
153.01891	5.6
153.02856	1.2
153.05502	14.5
153.06718	4.0
153.09073	7.5
153.10190	2.4
153.11365	5.6
153.12720	51.6
154.04970	3.4
154.08615	2.2
154.09724	1.8
154.13217	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00289	2.0
53.03930	4.1
55.01856	2.4
55.05269	1.4
55.05507	19.3
56.05027	1.5
56.51209	1.3
56.96549	4.7
57.03429	2.8
57.07066	6.7
59.04996	11.5
61.79475	1.1
65.03938	21.1
67.05503	14.1
68.05030	1.3
68.99760	1.3
69.03411	5.3
69.04543	1.4
69.06718	1.9
69.07066	26.8
69.62663	1.7
69.63069	7.3
69.64766	1.3
70.06580	4.7
70.94256	10.0
71.04990	44.4
71.94090	5.9
71.95251	3.5
72.08148	1.8
73.06547	22.3
75.04462	2.7
77.03928	1.4
79.05059	2.3
79.05490	32.9
80.05009	2.2
81.03413	1.5
81.07051	100.0
82.07356	1.5
83.04978	7.7
83.08606	4.5
84.04475	1.7
84.08108	1.8
85.06540	1.7
86.09700	2.2
88.95272	3.1
91.05476	13.1
93.03400	8.2
93.07038	52.3
95.04979	7.7
95.06091	1.2
95.08602	19.6
97.03993	1.4
97.06523	22.4
98.06040	1.7
105.07003	3.5
107.04935	3.3
107.08584	47.5
108.04472	2.0
108.08115	1.5
108.08878	1.6
109.06491	5.2
109.10146	20.6
110.03645	4.8
110.07138	2.8
111.04431	43.5
111.08071	12.6
111.09216	1.3
111.96841	3.8
112.08704	4.0
112.96677	1.6
119.08571	2.7
120.09461	1.3
121.06484	4.5
125.05991	13.8
125.09582	3.0
126.05470	3.0
129.97879	4.2
131.00180	1.2
135.04390	2.6
135.08044	3.8
135.11678	32.6
136.03891	1.4
138.03088	1.8
138.06758	2.0
148.97385	1.6
149.01154	1.9
153.01781	2.9
153.05463	10.0
153.09135	9.2
153.10216	2.3
153.11348	5.6
153.12720	24.8
154.05002	3.6
154.08517	2.4
154.12173	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.85035	0.4
53.03951	1.4
55.01880	2.1
55.05513	8.4
56.96568	0.7
57.03437	4.9
57.07085	2.0
59.05002	2.2
65.03941	26.9
66.04274	0.8
67.05503	16.9
68.05032	0.6
68.99788	0.8
69.03424	3.0
69.04553	0.7
69.07066	15.0
70.06596	1.6
70.83219	0.5
70.94242	3.8
70.95877	1.4
71.04993	4.0
71.11412	1.2
71.94090	0.8
72.08155	1.0
78.29681	0.5
79.05492	18.3
80.05006	0.8
80.05828	0.8
81.03433	1.6
81.05350	0.8
81.07056	19.9
82.06585	0.6
83.04980	9.9
83.06086	0.6
83.08623	4.3
84.04501	1.1
85.06539	1.2
88.95300	0.8
91.05479	12.1
91.06003	0.9
93.03407	7.8
93.07045	74.2
94.06564	0.5
94.07361	2.4
95.04970	35.3
95.06075	2.2
95.08606	57.3
96.05249	0.6
96.08952	1.6
97.02936	0.7
97.06532	17.3
97.10175	0.5
105.04467	0.7
105.07017	4.8
107.04961	2.5
107.08595	100.0
108.04482	0.5
108.05672	0.6
108.08909	3.4
109.06517	12.7
109.07652	1.0
109.10155	21.1
110.03654	5.4
110.07183	0.8
110.10503	1.0
111.04442	55.4
111.08078	7.1
111.08823	0.6
111.09200	1.2
111.96880	2.3
112.04784	1.4
112.08739	3.1
113.05886	0.6
117.07012	0.6
119.06059	0.5
119.08588	0.7
121.06487	1.3
123.11663	0.7
125.02370	0.5
125.05994	18.0
125.06966	0.9
125.07967	1.5
125.09611	1.9
126.06340	0.6
129.97879	1.4
130.97794	0.6
135.04401	1.0
135.05423	0.5
135.08055	2.7
135.11688	42.5
136.03879	0.6
136.07597	0.9
136.08665	1.8
136.12077	1.1
138.03166	0.5
138.06699	0.9
148.97348	1.3
149.01280	0.6
153.01826	2.2
153.05499	7.7
153.07480	1.1
153.09084	4.0
153.10193	0.9
153.11342	4.4
153.12717	25.1
153.27458	0.4
154.04968	1.6
154.08563	1.5
154.09682	0.9
171.83357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03934	1.7
55.01855	2.9
55.05262	0.9
55.05505	11.1
56.05020	0.9
56.96540	3.6
57.02264	0.9
57.03429	4.0
57.07067	4.0
58.17509	0.7
59.05004	6.0
65.03609	1.4
65.03935	24.7
66.04272	0.9
67.05499	23.9
67.54317	0.7
68.05020	1.4
68.96320	1.1
69.03429	5.5
69.04528	1.5
69.07061	22.8
69.47884	6.3
70.06573	1.5
70.94254	7.5
71.04996	7.9
71.94102	4.9
71.95261	1.9
72.08142	2.1
73.06528	2.2
77.03901	0.8
79.05066	1.3
79.05486	18.2
80.04984	1.4
81.03398	1.2
81.07053	21.2
83.04971	11.5
83.06065	1.8
83.08614	7.3
84.04478	3.4
85.06530	1.0
87.66635	0.8
88.95255	2.5
91.04955	1.1
91.05478	13.8
93.03395	6.9
93.07039	73.5
94.06546	1.0
94.07359	2.1
95.04967	7.0
95.06049	2.2
95.08600	59.8
96.04482	0.9
96.08924	1.1
97.02866	0.8
97.06525	28.3
98.06032	0.8
98.06811	1.0
105.06992	4.3
107.04935	3.5
107.08588	100.0
108.04503	0.8
108.05596	0.8
108.08172	0.7
108.08927	3.8
109.02883	0.9
109.06497	5.8
109.07639	1.9
109.10148	43.6
110.03646	5.5
110.07159	1.7
110.10445	1.3
111.04433	45.5
111.08062	6.2
111.09167	2.1
111.11676	1.2
111.96857	3.6
112.03979	0.9
112.04749	1.9
112.07583	0.7
112.08723	4.2
112.96678	1.6
121.06496	1.3
123.11704	1.0
125.02305	1.1
125.05988	19.1
125.07912	1.4
125.09612	2.0
126.05489	1.3
126.09142	1.2
129.97867	3.2
132.00427	0.9
135.04402	2.4
135.05457	1.4
135.08075	4.2
135.11681	44.1
136.07602	1.6
136.08597	1.6
136.12053	2.1
140.51093	0.8
148.97298	3.0
149.01207	1.5
153.01788	3.3
153.05495	10.8
153.06587	1.9
153.09178	5.0
153.10161	1.4
153.11346	6.5
153.12714	38.5
154.04945	4.0
154.06020	0.9
154.08563	2.4
154.09663	1.5
154.13144	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.34359	0.6
50.56990	0.6
51.51810	0.8
53.00299	2.5
53.03942	4.0
54.19402	0.6
55.01868	1.4
55.05513	18.2
56.96560	2.7
57.03433	2.2
57.07066	2.3
59.05005	8.7
61.43792	0.7
65.03947	14.9
65.16030	0.7
65.56523	0.6
66.21497	0.7
67.05502	8.7
68.96305	0.9
69.03434	2.9
69.04572	1.0
69.07065	13.7
69.52135	6.3
70.06595	1.9
70.94262	7.6
70.95855	1.3
71.04993	36.2
71.94110	3.0
71.95256	2.4
73.06558	22.5
77.99413	0.7
79.05494	28.9
80.05026	0.9
81.03425	1.2
81.07058	100.0
82.07370	1.8
83.04987	3.9
83.06094	0.7
83.08620	2.9
84.04503	2.1
85.06544	1.1
88.95287	1.5
91.05483	9.7
93.03416	3.9
93.07043	45.6
94.06541	1.1
94.07388	1.8
95.04971	4.9
95.06081	1.7
95.08604	10.2
96.91289	0.8
97.06528	10.1
105.07047	2.8
107.04952	1.4
107.08595	40.9
108.04497	1.2
108.08916	1.3
109.06494	3.5
109.07640	1.0
109.10165	9.1
110.03695	3.0
110.07175	0.9
111.04443	25.7
111.08064	7.0
111.96877	2.8
112.08726	3.0
119.08594	2.2
121.06477	0.9
125.06003	10.5
125.09627	1.8
126.10305	1.1
129.97937	3.1
135.04436	1.5
135.08073	1.7
135.11693	26.0
136.03958	1.3
136.07591	1.7
136.12036	1.0
138.03114	0.8
148.97395	1.6
149.01239	0.9
153.01807	3.5
153.05513	6.4
153.06628	1.4
153.09079	3.5
153.11362	3.4
153.12766	12.4
154.04991	3.0
154.08646	1.7
154.12009	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Perilla alcohol
Peak:m/z	Relative Intensity
53.03944	1.8
55.01863	1.8
55.05510	13.6
56.96566	4.0
57.03441	5.1
57.07071	3.0
59.04993	1.5
65.03938	9.0
67.05504	37.5
68.05009	0.8
68.14451	0.6
69.03426	4.1
69.07066	57.3
70.06617	0.6
70.07419	1.2
70.94254	8.2
70.95851	2.2
71.04987	3.0
71.34576	1.4
71.94102	9.1
71.95261	15.2
73.06548	0.8
74.24791	0.7
79.05492	28.8
80.05008	1.8
80.05822	1.5
81.03394	1.1
81.07055	42.1
82.06590	0.8
83.04980	6.8
83.08624	8.3
84.04514	4.2
85.06538	1.8
88.95293	2.9
88.96896	1.8
89.95139	1.1
91.05487	5.9
93.03394	2.2
93.07040	54.2
94.06583	1.0
94.07343	1.3
95.04973	4.1
95.08601	24.3
97.02901	0.9
97.06532	22.1
98.06084	1.0
101.00686	0.8
105.07018	1.7
106.96329	1.2
107.04955	2.3
107.08590	54.0
108.04486	1.3
108.08133	1.0
108.08940	1.5
109.02940	0.8
109.06517	2.6
109.10152	37.9
110.03658	2.3
110.10497	0.7
111.04465	18.0
111.08064	8.2
111.11699	1.3
111.96854	4.1
111.98486	0.9
112.04786	0.8
112.96732	2.3
117.07027	0.8
123.22925	0.8
125.05996	8.7
125.09642	1.3
126.05524	1.3
126.06297	1.4
129.97903	4.9
130.30777	0.7
130.97760	3.8
130.98814	1.0
133.10182	1.6
134.05952	0.8
135.04440	1.0
135.08096	1.8
135.11687	100.0
136.03931	2.3
136.07570	1.8
136.12077	3.6
138.03142	1.3
138.05046	1.6
148.97360	1.6
149.01222	1.3
153.01784	1.0
153.05492	6.5
153.06396	0.9
153.07571	5.0
153.09210	5.2
153.12740	82.8
153.99390	0.8
154.04958	6.0
154.08600	2.5
154.13087	2.5
154.15935	1.1
168.56071	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00292	0.3
53.03943	0.9
55.01867	1.8
55.05512	3.9
56.96561	0.5
57.07061	0.6
59.04987	1.3
61.93087	0.3
65.03940	1.8
67.01527	0.5
67.01866	7.6
67.05489	1.9
68.05038	0.4
68.99792	6.3
69.03429	7.9
69.07072	2.2
70.84493	0.8
70.84826	0.7
70.94257	1.1
71.04995	7.4
73.06556	5.0
76.32574	0.3
79.01853	1.0
79.05492	7.7
80.28563	0.3
81.03411	0.7
81.07055	22.9
83.01347	1.8
83.04974	0.6
84.04466	0.6
85.06513	0.4
91.05495	2.1
93.03403	0.5
93.07037	9.0
95.04964	1.0
95.08598	2.1
97.02881	4.1
97.06535	1.9
98.20844	0.5
105.07056	0.5
107.04915	0.7
107.08596	8.2
108.05624	0.4
109.06506	0.7
109.07632	0.6
109.10152	1.7
111.00796	0.8
111.04449	2.6
111.08065	1.4
111.09227	0.5
111.96857	0.6
120.65714	0.4
125.02353	0.6
125.05974	1.1
125.09632	0.6
135.04356	0.4
135.11690	6.0
148.97318	1.2
153.01825	100.0
153.11346	1.7
153.12724	2.5
154.02144	5.2
159.27533	0.3
171.02956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03940	2.3
55.01869	3.4
55.05506	10.1
56.05016	1.2
56.96558	3.9
57.03442	3.9
57.07055	2.4
59.04980	2.3
63.02448	0.8
65.03934	39.9
66.04269	1.3
67.05499	16.5
68.05008	2.3
69.03433	5.1
69.04520	1.1
69.07063	17.1
70.06578	3.0
70.39378	1.4
70.39780	1.8
70.94254	11.8
70.95862	1.1
71.04979	2.9
71.94091	3.0
71.95262	1.7
72.08150	2.3
73.06580	1.3
73.69814	0.9
79.01820	0.8
79.05484	18.7
80.05028	1.8
81.03415	2.2
81.07053	17.3
82.06561	1.4
82.07397	1.0
83.04973	10.6
83.06117	1.1
83.08618	3.9
84.04483	2.6
84.08121	0.9
85.02858	0.8
85.07665	1.1
88.95292	3.3
89.13505	0.7
91.05463	12.4
93.03397	11.7
93.07035	74.5
94.06578	1.0
94.07367	1.9
95.04964	12.7
95.06097	2.2
95.08598	62.3
96.08932	1.6
97.02900	1.4
97.06527	14.3
97.07612	1.1
98.06078	1.0
98.21410	0.8
105.07014	4.5
105.55149	0.8
107.04955	4.2
107.08585	100.0
108.04505	1.0
108.05624	0.9
108.08199	1.6
108.08929	3.8
109.06505	7.4
109.07649	2.4
109.10142	22.3
110.03659	5.9
110.07159	2.2
111.04433	77.2
111.08067	6.4
111.09192	2.9
111.96871	4.0
112.04858	1.2
112.08710	6.6
112.96703	1.5
113.05826	1.6
117.68417	0.8
121.02859	0.9
121.06503	1.8
125.05984	24.2
125.06972	1.5
125.07943	0.8
125.09628	2.5
126.05539	1.9
126.06408	1.1
126.09097	1.2
126.10312	1.4
129.97887	5.9
130.96320	1.3
130.97702	1.2
131.68567	0.8
135.04405	3.2
135.05542	1.8
135.08075	4.8
135.11679	41.1
136.03925	1.6
136.04958	0.8
136.07594	2.1
136.08694	2.6
136.12018	1.6
138.06750	0.9
148.97357	4.3
149.01112	1.2
153.01826	13.4
153.05463	12.7
153.06627	2.2
153.09128	5.3
153.10187	1.5
153.11353	9.4
153.12740	21.6
153.13950	1.6
154.02206	1.0
154.04994	4.5
154.08633	2.9
154.09692	1.6
171.86667	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.44984	0.6
52.78541	0.6
53.00300	1.5
53.03935	3.9
55.01882	3.7
55.05508	19.4
56.05026	1.6
56.96566	1.3
57.03432	2.1
57.07069	1.9
59.05002	8.4
65.03942	8.8
67.05502	10.1
68.05030	1.6
68.96339	1.3
69.03428	5.0
69.07065	14.6
69.44180	6.5
70.06573	1.6
70.94252	6.8
70.95853	1.1
71.04990	30.6
71.06100	0.9
71.94093	1.9
71.95255	0.8
72.08143	1.2
73.06553	22.6
79.05492	27.8
80.05839	1.0
81.03424	1.0
81.07053	100.0
82.06583	1.5
82.07381	2.3
83.04977	6.7
83.08620	4.0
84.04506	3.0
84.08130	1.2
85.06545	1.6
88.52028	0.8
88.95309	1.1
89.24306	0.6
91.05476	10.6
93.03406	2.4
93.07039	41.6
95.04977	6.4
95.06090	2.3
95.08599	7.1
96.04493	0.7
96.08945	1.1
97.02897	1.0
97.05280	2.4
97.06521	15.1
98.06054	2.7
98.09686	1.7
105.07034	2.8
107.04977	2.1
107.08592	39.0
108.05621	0.8
108.08122	2.6
108.08895	1.2
109.06501	6.7
109.07658	1.8
109.10152	8.8
110.03637	0.9
110.06084	3.5
110.07178	1.1
110.09725	0.6
111.04446	13.0
111.06853	3.9
111.08053	8.4
111.09219	1.0
111.96860	2.1
112.08717	2.9
113.05878	1.7
117.02567	0.7
117.07051	0.8
117.94491	0.6
119.08585	1.4
121.06457	0.8
125.05998	4.8
125.09628	3.9
126.09163	3.9
126.10117	0.7
127.99992	0.7
129.97928	2.8
130.96347	1.5
135.04449	1.6
135.08049	3.8
135.11682	22.3
136.07558	1.3
136.08600	1.0
136.12061	1.0
138.06732	0.8
139.06299	3.6
139.07535	2.5
148.97363	2.9
153.01849	2.7
153.05460	2.9
153.07954	1.0
153.09140	5.1
153.10262	1.1
153.11372	4.7
153.12758	11.8
153.13913	1.2
154.05034	2.2
154.08626	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0546
Annotation	Resorcinol monoacetate
Peak:m/z	Relative Intensity
53.03952	0.3
55.01869	1.1
55.05508	1.2
56.05033	0.3
56.96566	0.9
57.03437	0.5
59.05013	0.3
59.06122	0.2
61.89102	0.1
63.02368	0.1
65.03937	50.7
66.04269	1.1
67.01873	0.3
67.05502	1.3
68.05028	0.2
68.96326	0.1
68.99792	0.3
69.03423	1.7
69.04556	0.3
69.07065	1.2
69.49309	0.4
69.49715	0.8
70.06580	0.6
70.94255	1.8
70.95872	0.3
71.04984	0.7
71.94109	0.8
71.95259	0.2
72.08150	0.4
73.00407	0.1
75.04479	0.6
76.45042	0.1
79.05484	2.1
80.05009	0.3
81.03414	0.5
81.04536	0.2
81.07041	1.4
82.04211	0.2
82.06578	0.2
83.04974	1.5
83.06104	0.3
83.08633	0.3
84.04496	0.4
84.08086	0.2
88.95294	0.5
88.96921	0.2
89.93669	0.1
91.05473	1.5
93.03400	13.4
93.07036	2.3
94.03727	0.3
95.04966	3.8
95.06090	0.5
95.08608	0.8
97.02918	0.3
97.06524	3.4
97.07589	0.2
98.06050	0.2
105.04486	0.2
105.07040	0.3
107.04937	0.9
107.08588	2.3
108.04418	0.1
108.05630	0.3
109.02883	0.2
109.06521	1.3
109.07648	0.3
109.10144	0.9
110.03660	7.8
110.06034	0.2
110.07175	0.3
111.04435	100.0
111.08015	1.4
111.96860	0.8
112.04011	0.3
112.04759	2.4
112.08718	1.0
112.89242	0.1
112.96687	0.2
113.05895	0.4
121.06510	1.0
123.04388	0.2
124.05191	0.3
125.05984	32.7
125.09623	0.5
126.05508	0.2
126.06351	0.7
126.09100	0.1
126.10267	0.2
129.97943	0.8
130.97736	0.2
134.06007	1.0
135.04407	1.9
135.08041	0.7
135.11684	0.7
136.03883	0.3
136.07620	0.3
136.08685	0.4
138.03111	0.3
138.06709	0.5
139.03806	0.1
140.68645	0.1
148.94557	0.1
148.97345	0.5
149.01294	0.2
153.01843	3.3
153.05457	11.3
153.06552	0.4
153.09120	2.3
153.10204	0.2
153.11330	1.9
153.12717	1.3
154.04961	0.4
154.06035	0.4
154.08600	0.4
154.09740	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01873	2.4
55.05513	2.2
56.05029	0.5
56.96564	2.1
57.03419	0.7
59.04980	0.5
65.03937	5.3
65.77373	0.2
67.01865	6.2
67.02976	0.6
67.05173	0.3
67.05499	2.9
68.05015	1.0
68.96330	0.6
68.99782	5.4
69.03429	8.7
69.04545	0.7
69.07066	2.8
70.06582	1.1
70.84161	0.8
70.94255	3.5
70.95847	0.9
71.01337	0.3
71.04986	3.3
71.06091	0.3
71.94098	0.4
71.95271	0.4
72.08139	0.8
73.06554	1.1
79.01842	1.0
79.05051	0.4
79.05490	5.1
80.05015	0.6
80.05816	0.3
81.03417	1.3
81.04522	0.7
81.07056	6.9
81.43439	0.2
82.06572	0.7
83.01347	2.1
83.04977	2.1
83.06090	0.8
83.08604	0.5
84.04507	0.8
85.02879	0.8
86.97379	0.3
88.95285	0.9
90.52728	0.3
91.05483	2.1
93.03414	1.6
93.07039	5.1
93.48727	0.2
94.06570	0.6
94.98798	0.3
95.04958	4.5
95.06054	0.9
95.08611	1.4
96.05601	0.3
96.06889	0.3
97.02892	4.4
97.03967	0.3
97.06531	3.8
97.07619	0.6
98.97593	0.3
99.09290	0.3
99.82478	0.3
105.07022	0.4
107.03855	0.3
107.04967	2.1
107.06071	0.6
107.08592	5.9
108.05644	0.4
108.08092	0.6
109.06535	1.4
109.07639	1.3
109.10167	1.6
109.98924	0.4
110.03622	0.9
110.06018	0.5
110.07159	0.7
110.07888	0.3
111.00792	0.8
111.04433	8.9
111.05585	0.3
111.08058	2.5
111.09193	1.3
111.96865	1.5
112.07548	0.3
112.08762	1.5
112.09383	0.3
113.05853	1.4
117.07000	0.3
121.02869	0.6
124.05217	0.3
125.02330	0.9
125.05988	3.5
125.06917	0.5
125.09624	1.0
126.05536	0.3
126.09142	0.5
126.10275	0.7
129.97931	1.4
130.96278	0.7
135.04422	2.4
135.08070	1.5
135.11694	2.4
136.03946	0.6
136.04942	0.3
136.07549	1.0
136.08691	1.2
138.06732	0.5
148.97353	1.5
153.01822	100.0
153.07608	0.8
153.09100	2.1
153.10226	0.6
153.11343	4.2
153.12714	2.3
154.02159	4.0
154.04961	1.1
154.08611	1.0
154.09740	0.6
154.13441	0.3
171.02917	0.4
171.99129	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0566
Annotation	Guanine
Peak:m/z	Relative Intensity
55.02974	0.7
55.10854	0.1
56.96560	1.4
57.03403	0.1
60.01768	0.1
61.25714	0.1
65.03954	0.2
67.05478	0.1
68.85248	0.1
69.03412	0.4
70.06561	0.1
70.15798	0.5
70.19651	0.1
70.36086	0.1
71.38327	0.1
79.05470	0.2
80.05005	0.2
81.03389	0.3
82.04058	0.4
82.06563	0.3
84.08138	0.3
85.02881	0.2
94.06570	0.2
96.08124	0.2
97.02852	0.2
98.06025	0.2
100.02419	0.1
106.06572	0.2
107.03542	0.4
107.04986	0.3
109.05122	2.2
110.03523	10.8
110.97574	0.2
111.09229	0.1
119.01889	0.2
124.07564	0.2
128.04550	6.4
128.98586	0.2
134.04594	1.3
134.06081	0.2
135.03009	14.0
136.01442	0.5
136.03302	0.3
145.03419	0.1
146.99664	0.3
147.03180	0.1
147.05113	0.1
152.05667	100.0
153.04063	39.3
153.05876	1.7
154.02524	0.8
154.04491	0.9
155.04416	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	152.0706
Annotation	(R)-Mandelamide
Peak:m/z	Relative Intensity
53.03953	3.2
54.03468	1.4
55.01869	2.1
55.05506	3.4
56.05042	5.0
56.96563	16.9
57.03436	2.3
57.46695	0.7
58.06606	1.3
58.10135	0.6
60.04515	0.8
61.02938	0.9
65.03942	8.0
67.04257	0.9
67.05502	4.0
68.05029	8.2
68.99794	1.0
69.03427	8.6
69.04539	1.1
69.07065	7.2
70.02959	1.4
70.06592	8.4
70.94265	2.8
71.05014	0.8
71.58600	1.2
71.95262	0.7
73.02925	1.5
74.97595	0.7
79.05493	24.5
79.05967	1.3
80.05018	7.8
81.03420	6.8
81.04542	2.6
81.05789	1.6
81.07059	4.3
82.02946	1.6
82.06581	6.6
82.07395	0.9
83.04968	2.3
83.06110	5.2
84.04504	4.6
84.08134	2.6
85.02901	2.4
85.06534	1.1
88.95296	0.8
89.03880	0.7
90.94859	0.8
91.05489	3.7
92.04988	1.7
93.03386	1.9
93.04512	0.7
93.05753	1.0
93.07040	2.3
94.06566	7.3
95.04967	6.8
95.06070	4.2
95.07343	2.1
95.07951	0.6
95.08577	0.9
96.04494	4.5
96.05634	0.7
96.06876	1.2
96.08131	8.2
96.08723	0.9
96.08942	0.6
96.59635	0.7
97.02891	2.3
97.04015	1.1
97.06519	2.5
97.07652	8.6
98.03127	0.8
98.06020	0.7
98.97591	7.8
105.04489	0.9
105.07018	1.0
106.06557	34.5
107.04953	100.0
107.06110	3.3
107.08582	3.5
108.04475	2.8
108.05300	2.7
108.08134	4.5
109.02881	7.7
109.05237	2.3
109.06480	1.7
109.07645	12.2
110.03584	1.4
110.06038	5.9
110.07160	2.5
110.97529	1.5
111.04445	12.3
111.05573	2.7
111.08080	1.4
111.09200	6.5
111.96890	1.5
112.06329	1.7
112.08726	0.8
112.09970	2.1
113.05906	3.7
115.85938	0.6
116.98618	7.6
119.01890	1.1
120.08002	0.7
122.06001	1.1
122.07092	0.9
123.04386	0.8
123.06824	1.0
123.07944	0.8
123.09223	0.7
124.03927	2.5
124.04752	0.7
124.07581	11.0
124.08633	1.9
124.11180	0.8
125.02346	0.9
125.05992	6.1
125.07097	3.1
125.09692	0.9
125.10736	0.9
126.06627	0.8
128.02296	1.5
128.98596	2.9
129.21376	0.7
129.97885	0.9
133.01784	1.0
134.06030	22.0
134.07085	3.3
134.09633	0.8
134.99686	7.0
135.04420	62.5
135.05472	2.7
135.06471	1.3
135.08095	1.2
135.09157	7.2
136.04785	1.3
145.19308	0.6
146.97415	1.3
146.99655	8.8
147.05008	0.8
149.01323	0.7
152.01610	3.9
152.03436	3.3
152.05673	7.6
152.07047	49.0
152.08171	5.3
152.10654	3.3
152.11815	10.3
153.00656	1.0
153.01828	1.0
153.04060	4.1
153.05438	4.3
153.06563	1.9
153.07658	1.3
153.09082	2.3
153.10178	1.3
153.11263	1.5
153.12743	0.9
158.01274	0.9
158.99620	2.6
159.03278	1.7
161.01199	1.0
161.02974	0.7
165.00668	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	(-)-Carvone
Peak:m/z	Relative Intensity
53.00302	1.1
53.03952	2.3
55.01869	2.8
55.05511	7.5
56.05025	1.3
56.96567	7.3
57.03440	3.6
57.07071	5.4
59.05003	31.2
61.02913	0.7
65.03941	5.5
67.05508	39.2
67.39200	0.7
68.05031	3.3
68.95287	0.9
69.03430	18.2
69.07069	100.0
69.74106	4.1
70.06585	1.2
70.07398	2.1
71.01369	0.7
71.05009	3.4
73.02925	1.6
77.00803	0.7
79.05496	14.5
80.05000	1.1
81.03418	4.7
81.04548	0.8
81.07059	80.5
82.06599	2.9
82.07380	1.7
83.00729	0.6
83.04977	0.9
83.06103	2.5
84.04504	1.7
85.02895	1.1
85.56926	0.6
86.70245	0.7
91.05481	16.0
93.04536	1.0
93.07047	15.8
94.04169	1.1
94.06564	1.6
94.07373	0.7
95.04974	22.6
95.05939	0.8
95.08611	22.3
96.04498	1.8
96.05642	0.9
96.08139	2.2
96.08955	0.8
97.06539	1.4
97.07648	1.3
98.01296	1.0
98.97581	2.4
103.05439	0.7
105.03428	0.8
105.04491	0.7
105.07036	25.2
106.06543	2.1
106.07323	1.2
107.04955	2.3
107.06081	0.8
107.08589	14.5
107.47628	1.0
108.02105	1.9
108.04485	1.2
108.05753	1.3
108.08886	1.1
109.02863	0.9
109.06521	57.8
109.07713	2.0
109.10155	44.2
110.01270	2.3
110.06027	2.1
110.07215	6.4
110.10490	2.5
111.04420	1.2
111.07237	1.1
111.07955	12.4
116.98616	1.1
119.01810	3.2
119.04959	1.3
119.06027	0.9
121.06517	1.2
121.10137	6.7
122.07195	0.7
123.04425	2.6
123.05556	0.9
123.08076	20.7
123.11711	59.6
124.07574	6.8
124.08660	2.2
124.11223	2.6
124.12058	2.1
128.02324	3.9
128.98576	1.8
131.08578	1.2
133.06505	1.9
133.07500	0.7
133.10141	13.5
134.06024	1.8
134.07089	1.1
134.10532	0.8
134.99591	1.3
136.05231	0.9
136.08797	1.1
137.02806	1.7
141.05443	2.7
146.97388	0.9
146.99649	3.2
151.02872	1.5
151.03889	14.2
151.05037	4.3
151.07571	9.7
151.08620	1.2
151.09782	7.0
151.11168	43.8
152.01646	1.9
152.03313	0.7
152.07040	5.6
152.08167	1.5
152.10606	1.5
152.11711	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0914
Annotation	Isogentialutine
Peak:m/z	Relative Intensity
50.20834	0.4
53.03939	2.0
54.03465	1.4
55.01874	4.8
55.05505	3.2
55.20035	0.4
56.01402	0.5
56.05042	2.8
56.96555	1.7
57.03412	0.9
57.04557	0.5
58.06591	0.5
59.52307	0.4
61.01155	0.6
62.24183	0.6
62.30136	0.4
65.03946	4.2
66.03426	0.5
66.04266	1.2
66.46203	0.4
67.01846	0.8
67.05167	0.8
67.05503	8.8
67.79327	0.4
67.93545	1.2
68.05023	3.9
69.03407	1.4
69.04562	0.6
69.07057	3.2
70.02949	1.6
70.06574	1.1
70.35995	0.9
70.36348	1.6
71.05009	0.6
72.74458	0.4
72.93798	0.7
74.04843	0.5
77.03924	0.8
79.05489	36.0
80.05020	7.0
80.05793	1.2
81.03433	0.5
81.04539	0.9
81.05769	0.8
81.07050	7.6
82.02950	3.9
82.06577	4.2
83.06092	1.5
84.08118	1.4
89.59488	0.5
91.05476	24.6
92.05790	1.0
92.06296	0.6
93.03452	0.5
93.05789	2.8
93.07038	7.1
94.06568	13.2
94.07222	0.7
95.04964	6.1
95.06087	1.8
95.08605	19.8
96.04485	2.1
96.08145	3.2
97.07639	1.0
102.01934	0.5
103.05464	2.3
105.03417	0.6
105.04517	1.1
105.07030	46.4
106.06554	3.2
106.07360	1.9
107.04971	1.1
107.07347	12.1
107.08588	100.0
108.02103	0.9
108.04481	5.4
108.06848	0.5
108.08160	1.3
108.08923	3.6
109.02880	0.7
109.05308	0.8
109.06514	9.9
109.07633	6.7
109.10150	1.4
110.06032	0.9
110.07164	1.9
110.08419	8.0
111.04456	0.7
111.07962	4.1
115.05396	0.6
115.97787	0.4
117.05761	4.1
119.01818	1.0
119.04897	0.7
119.06056	1.9
120.08039	0.9
121.04010	0.7
121.05222	0.6
121.06531	1.3
121.08882	1.7
122.03213	1.9
122.06030	5.1
122.06878	1.1
122.09664	58.4
123.04438	1.8
123.05609	0.6
123.06648	0.6
123.08103	4.7
123.09220	3.8
123.10029	2.6
123.11704	1.2
124.07575	1.0
128.02287	0.6
132.06538	0.8
132.08063	3.0
133.06488	6.0
133.07570	1.4
133.10094	1.5
134.06029	0.7
135.06805	1.3
141.05515	0.8
145.01530	3.2
146.01228	0.6
149.63400	0.5
149.97769	0.6
150.02686	7.6
150.03723	1.0
150.05511	5.3
150.06583	1.3
150.07784	9.7
150.09148	48.9
150.10258	9.5
151.03903	5.8
151.05025	1.2
151.07532	1.8
151.08545	0.8
151.09625	3.5
151.11130	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.039
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
50.01591	0.3
51.02368	0.5
52.03153	0.8
53.00291	0.4
53.03944	3.2
55.01869	6.4
55.05268	0.4
55.05508	5.3
56.05019	0.8
56.96337	0.4
56.96560	4.5
57.03412	1.5
57.07050	0.3
58.06585	0.3
61.02920	0.6
65.03935	16.4
66.04257	0.3
66.21095	0.3
67.01860	0.6
67.02973	0.7
67.05501	19.6
68.05025	3.0
68.05789	0.5
68.99765	1.0
69.03437	2.4
69.04536	0.8
69.07047	1.1
70.06576	0.8
70.78036	0.5
70.78378	0.8
71.01328	0.9
71.04972	1.5
73.02895	0.8
77.00750	0.4
77.03918	1.8
79.05487	5.8
80.02621	2.4
80.04998	1.2
80.06261	0.4
81.03407	2.9
81.07053	10.0
82.06549	1.0
83.04970	0.8
83.06087	1.9
84.02084	0.5
84.04476	1.2
84.05607	0.6
85.02902	2.3
86.64825	0.3
90.01526	0.4
91.04986	0.6
91.05480	6.0
93.03391	1.0
93.04508	0.7
93.07040	3.7
94.06545	1.1
95.01307	0.8
95.04961	15.5
95.05997	0.9
95.08596	4.7
96.01579	0.5
96.04466	1.0
96.05628	0.5
96.08138	1.8
97.02862	0.4
97.06512	0.9
97.07624	0.8
98.01302	0.8
98.03625	0.7
98.97545	1.4
103.05466	0.4
105.03396	0.8
105.04503	1.8
105.06391	0.6
105.07027	7.4
106.06523	1.5
106.07286	0.4
107.04951	3.4
107.06069	0.8
107.08582	4.6
107.47634	0.3
108.02092	23.2
108.04449	0.5
108.05691	1.6
108.08134	0.4
109.02914	2.9
109.05318	0.4
109.06509	4.6
109.07635	2.4
109.10149	3.4
110.01250	1.6
110.06009	0.9
110.07187	4.6
110.07906	0.4
111.04434	4.3
111.05549	0.6
111.07949	9.3
112.01564	1.3
112.09979	0.4
116.48125	0.5
116.98592	1.4
119.01809	2.2
119.04909	1.2
121.03947	1.2
121.07645	0.4
121.10046	0.6
123.04417	4.1
123.05373	0.6
123.08046	4.4
123.11692	1.6
124.07575	2.0
124.08674	1.5
124.09499	0.4
127.03921	1.0
128.02298	1.6
128.98566	1.0
131.08527	0.5
133.02843	0.4
133.06461	1.2
133.07478	0.5
133.10120	2.8
134.06078	0.7
134.07011	0.6
134.99590	0.7
135.04381	1.2
135.09192	0.6
136.01543	3.3
136.05161	0.6
137.02835	0.9
139.53076	0.7
141.05455	22.0
142.05760	1.1
146.99661	2.0
151.03873	100.0
151.05014	33.8
151.07509	12.9
151.08577	1.2
151.09761	4.3
151.11140	6.3
152.01627	0.7
152.04292	3.4
152.05377	0.7
152.07018	3.5
152.08154	0.9
152.10640	0.6
152.11719	0.7
154.02591	1.7
165.00606	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
54.58105	0.3
55.01869	0.7
56.05033	100.0
56.96564	6.1
57.03437	1.8
57.04721	0.6
57.05373	1.3
58.99583	0.7
61.01148	64.4
61.02919	0.6
62.01071	0.4
62.01502	0.4
62.06075	0.5
65.03942	0.5
65.68072	0.3
66.04279	0.5
67.05496	1.3
68.05037	0.4
68.99786	0.4
69.03429	1.4
71.04978	0.3
71.59023	0.5
73.02924	2.1
74.02433	6.6
74.06075	7.6
74.97607	0.5
74.99091	0.5
75.02699	0.7
75.06435	0.5
79.05476	0.8
81.03406	0.9
81.07045	0.4
83.00790	0.3
84.04501	4.7
85.01112	0.6
85.02905	4.2
86.04907	0.4
86.06063	0.5
87.02692	13.2
87.04486	0.4
88.03078	0.3
88.07627	1.0
89.00784	0.7
89.71050	0.4
90.01565	0.5
91.52104	0.3
92.01297	0.5
93.53362	0.4
94.06580	1.8
95.04967	1.0
95.08606	0.4
96.01547	0.8
97.02907	1.2
98.01300	0.9
98.97581	2.5
100.02482	0.9
101.00766	0.6
102.05540	19.6
104.01299	0.5
104.05325	59.9
105.00108	1.3
105.02068	0.4
105.03711	1.2
105.05654	1.0
105.07023	0.8
106.06561	0.5
107.01815	0.8
108.04477	0.5
109.02845	0.5
110.01274	1.4
115.02422	1.5
116.00188	0.5
116.98602	1.9
118.03503	0.7
119.01810	4.1
121.52031	0.4
122.03193	1.1
122.06036	1.0
123.04421	0.6
123.07891	0.5
127.01541	0.4
128.02322	2.7
128.98601	0.7
129.01837	0.5
130.52547	0.4
132.04459	0.5
132.05421	0.3
132.06606	0.6
132.10199	0.6
133.03185	39.9
134.03529	0.9
134.99661	0.9
135.62764	0.3
137.02812	1.2
138.54167	0.4
145.03459	4.9
146.01218	0.4
146.99657	0.7
150.02672	3.1
150.03761	0.7
150.05664	5.3
150.07713	0.6
150.09129	0.9
150.11264	0.7
151.03891	0.6
151.07558	0.6
151.08617	0.4
163.04509	1.0
168.60622	0.3
168.99951	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0583
Annotation	L-Methionine
Peak:m/z	Relative Intensity
51.17230	0.2
53.03946	0.4
55.01867	0.9
56.05031	100.0
56.96562	3.8
57.03429	1.4
57.05366	1.2
58.99578	0.9
60.04531	0.3
61.01146	64.7
62.01471	0.4
65.03941	0.5
66.04265	0.6
67.05484	1.1
68.05037	0.3
68.99805	0.2
69.03436	0.7
70.06609	0.5
70.98097	0.3
71.03551	0.4
71.03874	0.3
71.05042	0.3
72.04520	0.5
73.02924	0.8
73.68974	0.3
73.98440	0.2
74.02437	6.3
74.06075	7.0
74.06472	0.5
74.27857	0.2
74.97572	0.2
74.99068	0.5
75.02695	0.9
77.00600	0.5
79.05483	0.8
80.04998	0.6
81.03410	1.4
81.07049	0.4
81.94135	0.3
82.01429	0.3
83.04961	0.4
84.04505	2.9
85.01128	0.8
85.02895	3.6
85.04829	0.5
87.02684	14.1
88.07615	0.7
89.04256	0.3
90.94824	0.2
91.05472	0.7
93.05793	0.3
94.06580	0.9
95.04973	1.2
95.08614	0.3
96.21507	0.3
97.02893	0.5
98.01267	0.3
98.06051	0.3
98.97582	0.4
99.05551	0.3
100.02475	2.2
100.83327	0.3
101.00845	0.3
101.02573	0.3
102.04834	0.5
102.05535	17.3
104.05320	54.3
105.00156	0.9
105.03752	1.6
105.05652	1.0
105.07008	0.8
106.02688	0.2
106.06569	0.3
107.04966	0.2
108.04487	0.6
108.99532	0.2
109.02872	0.2
109.99156	0.2
110.01324	0.4
114.51294	0.3
115.02426	2.3
116.98627	0.5
118.01115	0.3
118.03510	2.1
119.01842	1.2
121.02848	0.2
122.03181	1.5
122.06010	1.4
122.09641	0.4
123.01380	0.5
123.04450	0.4
123.08003	0.5
128.00166	0.7
128.02251	0.7
131.01918	0.4
132.04402	0.4
132.06543	0.5
133.03181	37.4
134.03508	1.0
134.99605	0.3
137.02864	0.5
144.99817	1.1
145.03448	6.2
146.00162	0.3
146.01227	1.8
146.99637	0.3
150.02655	3.1
150.03799	0.4
150.05647	4.6
150.07710	0.5
150.09036	1.1
150.11241	0.4
151.03880	0.6
151.07506	0.3
151.08589	0.3
151.11151	0.4
156.05090	0.3
163.00891	0.7
163.04539	1.5
164.02281	0.6
168.05045	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
55.01866	3.8
55.05512	8.6
56.96566	1.7
57.07055	3.8
59.64236	1.7
65.03603	2.8
65.03938	49.4
67.05487	3.5
69.07053	10.2
69.53874	10.1
78.04701	2.6
79.05489	22.9
80.04975	1.5
81.07050	13.1
89.03916	5.4
91.05475	38.7
93.03392	12.4
93.07041	44.7
94.06531	2.1
95.04957	10.5
95.08625	1.9
98.03654	2.7
103.05454	9.1
105.04487	3.0
105.07025	39.9
106.04140	2.0
106.06524	1.6
106.07821	2.7
107.04953	3.1
107.08589	65.3
108.04459	2.1
108.08892	2.1
109.06487	4.3
109.07642	2.3
110.08418	1.5
111.04444	12.5
116.06217	3.3
117.03362	2.4
119.04771	1.7
119.06050	2.7
119.08575	12.7
119.23922	1.3
120.09426	1.9
121.02863	54.3
121.03978	12.9
121.06512	10.8
121.10138	100.0
122.03167	3.1
122.06036	2.6
122.07150	3.7
122.10468	6.1
123.08087	10.1
127.88622	1.4
131.04921	3.3
131.08574	3.7
133.07567	3.3
133.10155	3.1
149.02342	93.0
149.06012	8.8
149.07045	2.8
149.08334	3.4
149.09608	18.8
149.13234	15.9
150.02695	4.9
150.05533	3.9
150.10220	2.9
164.13879	1.9
167.03398	3.4
169.03413	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
50.01923	0.8
50.09486	0.8
53.03938	4.0
53.04170	1.1
53.69975	0.8
55.01855	2.8
55.05285	1.1
55.05509	9.8
56.96550	2.2
57.07071	5.9
62.64354	0.9
65.03939	42.7
66.04253	1.5
67.05515	4.4
68.05021	1.1
69.07066	21.7
71.59682	1.0
71.91579	0.9
77.03929	1.3
78.04707	1.0
79.05499	25.8
80.05000	1.7
80.05824	1.0
81.03417	1.2
81.04530	1.0
81.07059	9.0
83.08624	1.7
88.66767	0.8
89.03889	1.8
91.05476	37.1
93.03411	10.6
93.07042	52.0
94.06582	1.1
94.07384	1.8
95.04967	8.5
95.08612	3.7
96.88386	0.9
98.03658	2.3
103.05477	4.7
105.03384	1.0
105.04472	1.2
105.07030	41.5
106.04184	1.1
106.07286	1.4
107.04975	1.2
107.08592	100.0
108.05634	1.1
108.08910	5.0
109.06516	8.4
110.08449	1.0
111.04456	10.6
119.06067	3.9
119.08579	11.0
120.09371	2.6
121.02865	48.0
121.03963	10.0
121.04763	0.9
121.06466	4.7
121.10142	69.2
122.03173	1.7
122.06044	1.9
122.07159	2.9
122.10449	3.3
123.08074	7.3
131.04970	1.4
131.08577	2.5
133.07590	2.8
133.10136	3.0
134.10873	2.9
149.02344	72.7
149.05951	4.1
149.07050	2.0
149.08354	1.9
149.09610	5.5
149.13255	23.7
150.02641	5.9
150.03676	1.2
150.05472	2.2
150.09140	1.1
167.03421	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Multifidene
Peak:m/z	Relative Intensity
51.75909	1.2
53.03934	3.6
55.01861	2.6
55.05502	8.6
56.96558	1.5
57.07069	3.0
65.03601	2.7
65.03936	52.2
67.05489	3.8
68.99790	1.3
69.03410	1.9
69.07063	6.7
69.18711	1.2
70.77427	4.6
72.74058	1.3
79.05065	1.8
79.05489	23.9
80.11526	1.4
81.07041	5.5
83.08638	1.8
89.03918	4.3
91.05479	31.1
93.03387	11.2
93.07030	35.1
94.06556	1.8
95.04970	8.4
95.08564	1.8
103.05479	8.5
105.07022	45.8
106.04170	2.1
106.07263	1.6
106.07865	1.6
107.04905	2.4
107.08585	46.9
108.04500	1.4
109.06513	6.2
109.07632	1.5
111.04459	10.5
113.76676	1.3
116.06256	2.7
119.06039	1.9
119.08589	13.9
120.09357	2.3
120.88105	1.5
121.01985	2.5
121.02857	51.7
121.03957	13.4
121.06510	9.0
121.10133	100.0
122.03208	2.7
122.06033	1.6
122.07030	2.9
122.10463	3.5
123.08073	7.9
131.08559	7.7
133.07605	4.2
133.10152	3.0
134.03653	2.3
134.10919	2.5
140.08269	1.3
149.02332	84.4
149.05962	4.8
149.08455	2.5
149.09575	14.6
149.13225	13.6
150.02682	6.3
150.05496	3.7
150.10133	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03924	1.8
55.01852	2.9
55.05501	6.9
56.96558	4.3
60.68430	0.9
63.53452	0.8
65.03934	49.5
66.04249	1.6
67.05502	9.7
67.93549	1.4
69.03417	1.2
69.07063	9.8
71.28712	2.1
79.05485	28.5
80.05014	1.1
81.07049	27.4
83.04970	1.2
83.08610	1.8
83.89812	0.8
87.12835	0.8
90.02412	0.9
91.05473	17.8
93.03402	11.6
93.07037	49.9
94.06564	1.7
94.07380	1.9
95.04958	4.1
95.08600	6.3
95.95232	0.9
98.03651	2.5
103.05434	3.8
105.03378	1.9
105.04491	1.6
105.07014	7.4
106.04140	1.0
107.04929	3.1
107.08585	34.1
108.04450	2.1
108.08918	1.4
109.06501	2.6
111.04454	13.1
112.04783	1.0
119.00145	0.9
119.08588	1.7
120.04443	0.9
120.05746	0.9
121.02856	55.9
121.03953	11.2
121.06495	8.4
121.10127	13.6
122.03152	1.6
122.06053	1.9
122.07138	1.2
123.08038	1.3
126.05523	1.7
126.25935	1.0
131.04926	1.9
131.08543	1.3
132.04401	1.0
149.02332	100.0
149.05959	3.0
149.07056	1.7
149.08336	1.4
149.09601	9.4
149.13245	18.0
150.02692	5.2
150.03697	1.3
150.05516	4.6
150.09067	1.4
150.13562	2.2
163.02664	0.8
163.03922	1.0
167.03383	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.57849	0.8
53.03949	4.0
55.01865	1.8
55.05509	8.3
56.96567	6.3
57.03428	0.9
59.99093	1.2
65.03941	61.9
66.04261	1.6
66.20742	0.8
67.05503	24.4
67.93563	1.3
69.07068	12.4
69.42754	6.6
79.05492	39.1
80.05038	1.2
80.05825	0.9
81.03404	1.0
81.07056	56.9
82.07397	1.2
83.08602	2.9
87.75386	0.9
89.03940	0.7
91.05478	20.8
92.05827	1.2
93.03400	13.4
93.07042	56.6
94.06604	1.8
94.07355	2.0
95.04978	6.6
95.08606	11.5
98.03666	3.6
103.05450	2.5
105.03386	1.5
105.04506	1.0
105.07043	7.6
107.04960	1.9
107.08591	44.1
108.04482	2.2
108.08916	2.4
109.06533	1.4
111.04456	17.8
113.54131	1.1
119.00190	1.1
119.08593	1.9
121.02864	64.9
121.03962	12.6
121.06470	4.0
121.10142	11.4
122.03194	5.0
122.06039	1.4
122.07107	1.4
122.10477	1.2
123.08036	1.4
126.05537	1.7
137.01334	1.1
141.96992	2.1
147.11722	1.0
149.02342	100.0
149.05969	3.4
149.07091	1.7
149.08266	2.3
149.09605	4.0
149.10635	1.0
149.13251	21.7
150.02666	5.9
150.03725	1.4
150.05466	4.2
150.13669	1.3
162.08566	1.0
163.02704	0.9
163.03911	1.0
167.03423	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.02401	1.2
53.03931	5.2
55.01864	2.3
55.05514	12.5
56.96564	5.7
65.03936	56.3
66.04248	2.3
67.05500	25.7
67.08749	1.0
68.99750	1.2
69.07066	17.3
77.03918	1.7
78.04700	1.2
79.05487	46.7
80.05007	2.1
80.05824	1.3
81.03429	2.8
81.07053	62.4
82.07392	1.8
83.08610	3.7
88.41314	1.1
91.04971	1.7
91.05479	25.6
93.03393	15.6
93.07038	72.2
94.06564	2.7
94.07372	4.0
95.04973	9.6
95.08609	10.2
98.03664	3.8
103.05439	4.4
105.04503	2.6
105.07022	11.5
107.04955	35.5
107.08588	54.9
108.04487	3.1
108.08895	1.9
109.06487	2.5
110.08421	1.2
111.03803	1.4
111.04456	15.1
119.04939	1.5
119.08563	2.9
120.05705	5.8
121.02859	56.5
121.03966	13.5
121.06479	6.3
121.10124	16.9
122.03188	2.9
122.05996	1.9
122.07175	2.0
123.08080	1.7
131.04939	1.4
131.08557	2.4
147.11737	1.6
149.02336	100.0
149.05968	2.6
149.07045	2.8
149.08372	1.9
149.09602	17.1
149.13249	31.6
150.02641	6.1
150.05489	3.1
150.09000	1.4
150.13664	1.9
156.08484	1.4
163.03925	2.2
167.03424	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0597
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02364	0.9
53.03941	6.6
55.01869	4.7
55.05500	2.7
56.96549	3.1
63.02326	0.8
65.03938	58.4
66.04272	1.4
67.05491	2.9
68.99487	0.8
68.99794	8.4
69.03429	1.7
69.07047	2.6
71.59024	1.0
76.26608	0.9
78.04700	6.7
79.05490	9.5
80.05029	1.2
81.03400	1.5
81.04563	1.0
81.07062	8.4
82.35730	0.7
85.04795	0.7
89.03908	4.5
91.05473	28.7
93.03400	13.9
93.07036	25.2
93.07619	1.2
94.06572	1.4
95.04964	13.7
95.08572	1.2
96.04426	0.9
98.03664	2.2
102.03260	0.8
103.05461	13.9
103.74751	0.7
103.76711	0.9
104.05784	1.2
105.03368	1.8
105.04499	2.9
105.07020	7.2
106.04177	10.6
107.04988	1.8
107.08593	10.8
108.04452	1.2
108.05589	0.8
109.06495	1.3
111.04472	12.7
113.34547	0.7
116.06180	0.8
117.03326	1.3
119.04845	0.9
119.08565	1.3
121.02860	62.9
121.03964	13.8
121.06493	41.5
121.10139	8.1
122.03185	2.5
122.06021	1.9
122.07068	2.7
124.05245	1.1
126.05498	1.0
131.02437	0.7
131.04922	2.3
131.08549	2.0
134.03647	5.3
137.01193	1.3
145.03352	0.9
149.02338	100.0
149.05972	24.8
149.06982	0.9
149.08203	3.6
149.09615	7.9
149.13251	4.1
150.02640	5.2
150.05457	2.5
150.09113	1.0
153.95358	0.8
167.03410	2.6
169.03455	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	4-Isopropylbenzaldehyde
Peak:m/z	Relative Intensity
53.03932	4.8
55.01869	1.9
63.67071	1.5
65.03941	10.8
67.05480	3.0
67.10802	1.6
69.03411	3.6
69.59301	11.6
72.89273	1.9
77.45752	1.5
79.05493	27.3
91.05479	63.7
92.05785	2.0
93.03410	2.7
93.07040	38.6
94.07352	1.7
95.04961	10.6
103.05444	10.6
105.06380	3.1
105.07033	41.6
105.26728	1.7
106.07793	6.0
107.04936	2.8
107.08586	3.2
109.06503	4.9
111.04466	4.2
115.05471	6.5
116.06239	23.5
119.08600	11.2
121.02851	10.8
121.03962	1.6
121.06489	15.3
121.10138	39.5
122.06944	1.8
123.08040	6.6
129.07031	8.1
131.08569	20.2
131.57190	1.6
134.07297	4.3
145.06500	1.6
147.08054	3.1
149.02341	17.4
149.09615	100.0
150.09966	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	149.0597
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
53.03942	5.8
54.03464	0.8
55.01870	2.1
55.05503	0.9
56.96556	2.8
58.06614	0.7
62.27897	0.7
65.03937	39.1
66.04261	1.0
67.05501	2.6
68.05019	0.7
70.85508	0.7
70.95548	1.7
74.02421	1.1
77.03931	0.9
79.05488	47.0
80.05025	1.3
80.05816	1.4
81.03416	1.3
81.04497	0.7
81.07058	1.2
84.04494	1.1
85.04045	0.9
86.04965	0.9
91.04954	1.3
91.05472	13.2
92.05825	1.0
93.03397	9.4
93.07035	36.9
94.06560	3.1
94.07391	1.2
95.04962	12.6
95.06090	1.5
96.04494	1.3
98.03658	3.0
102.03320	0.8
103.05460	100.0
104.05144	1.1
104.05798	5.1
105.03418	1.1
105.04502	2.6
105.07008	2.0
106.06562	0.9
106.70541	0.7
107.04945	24.9
107.06030	1.0
107.08595	1.8
108.05300	1.4
109.07641	2.4
110.08418	3.5
111.03830	1.1
111.04456	11.4
117.15184	0.7
120.04414	0.8
121.02864	45.1
121.03967	10.2
121.05646	1.3
121.06490	14.2
121.07426	1.3
122.03197	2.0
122.06030	2.0
122.06950	1.1
123.07955	1.2
123.09200	1.8
131.04919	4.9
137.01193	0.8
149.02335	76.2
149.05965	6.0
149.07072	1.6
149.08212	1.5
149.09607	2.3
150.02641	4.5
150.05470	5.2
150.07716	0.8
150.09180	0.8
150.10274	2.9
152.41835	0.7
167.03412	1.2
168.40468	0.7
169.03421	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03935	2.2
53.83881	0.9
55.05512	15.0
56.96563	16.8
59.99115	5.7
60.08145	1.9
64.92793	4.5
65.03925	4.2
65.36142	1.0
67.05503	13.8
69.07060	6.0
71.48492	1.3
79.05486	23.0
81.07052	9.4
84.04478	2.2
85.02863	1.1
88.02215	12.8
91.05473	99.5
92.04988	1.9
92.05810	4.3
93.07031	10.4
95.04958	4.7
103.05466	7.8
105.07023	100.0
106.07357	4.1
107.04945	4.6
107.08571	3.9
113.02564	1.5
115.05431	1.9
116.05308	5.4
116.06152	1.9
117.07015	15.5
118.07771	2.1
119.04956	10.5
119.08572	89.6
120.03348	1.8
120.04486	3.0
120.08897	5.0
123.96410	5.1
124.99127	1.5
125.04357	1.1
129.06972	5.5
130.02841	1.2
131.08551	1.9
132.05757	1.7
132.09337	1.9
134.04843	1.4
143.00157	4.2
143.08604	1.1
145.10117	5.7
146.10457	1.0
147.04395	8.1
147.05527	6.4
147.08047	13.0
147.09128	1.4
147.11678	45.5
148.03897	2.3
148.07657	2.5
148.11981	3.7
150.95787	1.2
161.01237	4.3
166.25616	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.0
55.01849	1.2
55.05506	12.4
56.76645	0.9
56.96562	13.6
59.99108	7.8
60.08158	1.5
63.58953	1.1
64.92793	3.5
65.03927	3.0
67.05501	12.4
67.30340	1.0
69.07055	4.0
70.91313	2.5
71.95258	1.0
78.04696	1.2
79.05489	21.9
81.07065	7.5
84.04485	3.1
88.02209	14.6
88.11246	1.2
91.05478	95.0
92.05010	1.9
92.05808	4.4
93.07049	9.9
95.04963	3.0
99.73443	0.9
103.05467	7.9
104.06277	2.3
104.90832	1.8
105.07027	100.0
106.07362	4.5
107.04930	3.6
107.08575	4.7
114.59161	1.0
115.05448	2.3
116.05302	5.2
116.06176	2.4
117.07005	15.0
118.07867	1.8
119.04956	9.9
119.08575	83.8
120.03357	1.3
120.04446	1.9
120.05421	1.1
120.08138	2.1
120.08912	5.0
123.96456	7.4
124.99099	1.6
128.06207	1.2
129.07031	3.2
130.06487	1.6
131.04936	1.5
131.08572	2.9
132.05728	2.4
132.09355	1.8
143.00168	3.5
145.10126	5.2
147.04391	9.9
147.05539	10.5
147.08040	12.2
147.09177	2.3
147.11682	37.6
148.03912	2.7
148.07739	3.7
148.12022	2.9
161.01212	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	146.0446
Annotation	2-Oxoglutaramate
Peak:m/z	Relative Intensity
50.25123	1.5
54.03463	4.0
54.73478	1.6
55.01615	2.7
55.01864	28.9
55.93962	1.6
56.05021	6.0
57.03431	10.8
59.02621	1.5
70.76212	2.4
70.76572	2.8
71.04972	1.8
72.04150	2.0
72.04510	26.2
72.05286	1.5
72.08130	6.2
73.02911	57.8
74.02434	91.9
80.38457	1.8
81.03407	2.8
82.02935	23.9
82.06561	4.5
83.01336	100.0
83.04967	2.5
84.04479	5.4
85.02892	17.2
86.06073	4.7
88.07600	2.0
91.05477	4.8
99.04406	1.9
100.03973	84.3
100.04663	4.1
100.07602	2.1
101.02377	25.7
102.38744	1.8
110.02419	2.6
111.00784	2.4
118.05009	16.2
119.03416	7.7
119.04924	3.3
128.03445	4.9
128.07083	2.2
143.56241	1.6
144.94931	1.6
146.04472	84.2
146.05800	3.1
146.08095	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	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.31716	0.3
55.05514	0.5
65.03938	11.5
65.04276	0.7
71.34296	0.5
74.02422	0.3
76.19759	0.3
79.05484	0.6
84.04494	2.9
91.05476	100.0
92.05814	3.5
93.07063	0.4
95.04971	1.1
103.05444	0.7
105.07023	4.8
107.04945	0.7
117.07014	1.4
118.42381	0.4
119.04937	92.4
119.08572	7.7
120.04465	0.4
120.05248	4.8
123.62611	0.3
123.96478	0.5
129.07018	0.8
130.04984	0.3
130.06488	0.5
133.80252	0.3
142.86511	0.3
145.10101	0.6
147.04405	37.4
147.06339	1.1
147.08070	1.3
147.11682	3.3
148.04738	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03953	2.4
53.42094	0.8
54.03456	0.8
55.05507	10.0
57.86447	0.9
60.60652	1.0
64.77156	0.8
64.92812	1.5
65.03939	9.5
67.05501	3.9
69.07059	2.7
69.26249	8.9
71.04984	1.4
74.02450	1.5
76.63975	0.9
79.05494	7.0
81.07078	1.3
84.04503	10.6
84.08156	2.2
86.21204	1.0
91.05481	100.0
92.05042	1.1
92.05813	4.6
93.07040	3.3
95.04974	2.3
103.05461	5.5
103.25043	0.9
104.06271	1.7
105.03358	1.0
105.07030	65.6
106.07360	2.4
107.04960	2.4
107.08588	5.6
109.25636	0.9
115.05430	2.3
116.06223	2.5
117.07010	14.8
119.04945	53.2
119.08578	90.0
120.04501	1.4
120.05245	1.9
120.08910	4.0
123.96488	2.0
128.06123	1.2
129.07036	2.7
130.05006	1.6
130.06490	1.5
130.07816	1.7
131.08578	1.9
132.09395	5.0
132.10187	1.1
138.03174	0.8
145.10110	7.7
147.04436	25.2
147.05536	3.7
147.08078	5.3
147.09190	1.9
147.11691	51.1
148.03868	2.1
148.04936	2.3
148.07574	2.4
148.12021	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	146.0447
Annotation	2-Oxoglutaramate
Peak:m/z	Relative Intensity
50.42951	0.5
51.34991	0.5
51.68189	0.5
54.03475	3.6
55.01867	5.0
56.05030	2.1
57.03421	2.1
58.69778	0.5
71.19776	1.2
72.04511	21.6
72.08156	0.7
73.02914	10.5
74.02435	100.0
80.61500	0.5
82.02943	5.0
82.06595	0.5
82.85701	0.5
83.01336	18.7
84.04498	8.6
85.02898	3.6
99.62227	0.5
100.03973	28.3
100.05897	1.1
101.02364	4.2
110.02374	0.6
111.20812	0.6
112.63842	0.5
118.05008	9.2
119.03439	1.2
128.03416	0.9
130.05016	2.2
146.04469	15.1
147.48679	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03456	3.3
55.01870	4.6
56.05022	2.5
57.03431	1.7
70.40294	2.7
72.04512	22.0
73.02915	10.7
74.02437	100.0
75.31580	0.8
82.02953	4.3
82.55257	0.8
82.55724	0.9
83.01337	14.6
84.04492	8.1
84.08127	2.7
85.02905	3.5
87.04469	1.5
99.55568	0.9
100.03971	32.6
100.04646	1.6
100.05913	2.3
101.02395	4.2
118.04997	8.7
119.03427	1.0
128.03433	0.9
129.55910	0.9
130.05011	1.6
142.30678	0.7
146.04480	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	146.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03466	3.3
55.01867	3.7
56.05033	1.8
57.03430	2.1
70.55788	1.6
72.04512	20.2
72.08147	0.5
73.02913	10.0
74.02435	100.0
78.78241	0.4
82.02948	3.9
83.01335	16.3
83.03738	0.6
84.04501	12.0
85.02906	3.6
94.54463	0.5
100.03971	30.7
100.05909	1.3
101.02380	4.5
104.03354	0.4
110.02386	0.6
118.05009	10.3
119.03413	1.3
128.03441	1.4
130.04990	2.8
133.69649	0.5
146.04468	19.1
163.07324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0447
Annotation	2-Oxoglutaramate
Peak:m/z	Relative Intensity
54.03468	4.4
55.01875	5.3
56.05024	2.4
57.03433	1.9
63.98597	0.5
71.20132	0.9
71.20474	0.9
72.04514	20.3
73.02917	10.0
74.02438	100.0
75.02760	0.6
82.02938	3.8
83.01337	16.8
83.03271	0.6
83.03722	0.9
84.04504	5.9
85.02908	3.6
100.03973	29.4
100.05912	1.0
101.02369	5.1
110.02387	0.8
118.05012	9.5
119.03410	0.8
128.03491	0.8
130.05019	1.6
146.04482	17.5
147.04761	0.5
153.42613	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03473	3.9
54.04266	0.7
54.08829	0.6
55.01872	2.7
55.05519	1.2
56.05035	3.3
57.03429	2.2
58.06588	1.5
65.03944	2.1
67.05499	1.0
67.70033	0.5
68.05018	1.2
70.06615	0.6
70.29423	1.2
70.29826	1.2
71.04995	1.6
71.82262	0.7
72.04518	23.5
72.05329	1.3
72.08165	4.9
72.78297	0.5
73.02914	5.9
74.02441	100.0
74.06086	0.6
75.02795	0.8
80.05016	1.3
81.03421	3.0
82.02944	3.2
82.06591	3.1
83.01346	9.0
83.05002	2.1
83.84193	0.6
84.04519	5.2
84.08166	0.7
85.02911	2.5
86.06062	4.7
91.05482	17.7
92.05827	1.7
99.04449	0.8
99.05592	0.6
100.03983	22.3
100.04768	3.0
100.07616	1.9
101.02395	2.5
103.05489	0.7
105.07035	2.1
106.07366	5.3
110.06060	2.4
111.04472	1.3
112.11283	0.8
117.07018	0.5
118.05020	8.7
118.06541	1.8
118.07368	4.4
119.04939	11.1
119.08603	0.6
123.96482	1.0
128.03488	1.1
128.04968	1.5
128.07095	2.1
129.06627	1.1
130.07350	1.1
131.08145	2.5
144.08873	0.7
146.04512	9.0
146.06039	5.5
146.06921	0.6
146.08110	4.0
146.09422	0.9
146.10486	8.1
147.04434	6.5
147.05547	1.5
159.56966	0.5
163.01732	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03470	3.9
55.01870	4.8
55.77103	0.4
56.05032	2.6
56.27322	0.3
57.03427	1.7
60.08149	0.9
69.53212	2.4
72.04513	21.5
72.08169	0.4
73.02911	9.3
74.02436	100.0
75.02764	0.8
81.03402	0.4
82.02936	4.0
83.01337	16.2
83.03269	0.5
84.04499	16.8
84.08161	0.4
85.02894	3.2
86.06072	0.9
87.04461	3.0
98.20718	0.6
99.05604	0.4
100.03972	30.1
100.05860	1.5
101.02377	4.5
101.04269	0.3
101.07148	0.4
102.05519	0.5
110.02420	0.5
118.05007	9.1
119.03418	1.7
128.03423	1.2
130.04994	4.1
146.04472	19.0
146.09215	0.7
146.11775	0.6
147.04845	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
60.71095	2.8
65.54113	2.8
71.28465	7.1
77.58827	3.1
101.00863	14.0
118.03503	8.5
119.01038	5.2
119.01910	100.0
136.04523	7.8
137.02936	46.2
142.03502	13.4
160.04555	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	137.1326
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03942	1.8
53.58109	0.8
55.05512	6.0
57.07076	8.1
65.03934	1.3
67.05505	27.2
68.05039	0.9
68.05808	0.9
68.41467	0.8
69.07072	6.6
70.64301	2.9
79.05492	10.4
79.19241	0.7
79.96349	0.7
81.07059	78.9
82.06586	1.8
82.07399	2.9
86.18896	0.7
91.05492	2.7
93.07034	5.6
94.04198	1.5
94.06591	1.4
95.04966	2.5
95.08608	100.0
96.04475	2.5
96.08924	4.9
107.08610	0.9
108.09374	0.9
109.06494	1.7
109.10174	6.1
110.06054	2.2
120.04441	2.1
122.03643	2.8
130.26057	1.0
137.02422	2.9
137.04993	0.6
137.05984	4.3
137.07063	1.5
137.09631	3.0
137.13257	9.2
138.01773	1.1
138.05504	5.8
138.09151	2.8
147.30133	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
51.86168	0.5
53.03935	1.4
55.05507	6.0
57.07074	8.0
65.03934	2.0
67.05502	26.1
68.04988	0.6
68.05817	0.8
68.63432	0.5
69.07063	7.9
69.36673	4.6
69.37079	1.0
75.02681	1.2
79.05491	7.6
80.05010	1.2
80.06252	0.9
81.07053	69.4
82.06576	1.7
82.07397	3.0
91.05477	2.8
92.04980	1.0
93.03722	2.1
93.07037	6.7
94.04193	3.0
94.06577	1.6
95.04966	1.8
95.08603	100.0
96.04480	1.2
96.08954	2.5
107.08566	1.2
109.06515	1.9
109.07622	1.4
109.10162	5.8
110.05364	0.5
110.06045	3.7
119.08614	0.6
120.04489	1.7
122.03652	1.9
122.07338	1.0
137.02496	3.2
137.04480	0.7
137.04904	0.6
137.05965	5.3
137.07082	1.7
137.09633	1.6
137.13254	8.5
138.01785	1.2
138.05502	8.8
138.09155	1.5
138.13660	0.7
153.00302	0.7
155.01904	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	138.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.22258	0.1
56.63804	0.1
61.90676	0.2
63.30292	0.2
65.03939	1.2
67.05502	1.5
69.88241	0.1
69.90755	0.7
69.98057	0.1
78.03442	0.7
79.04237	0.3
92.05000	3.6
93.05779	1.3
94.06564	22.3
95.04948	0.2
95.06882	0.7
96.04488	3.8
110.06037	19.5
111.06377	0.6
138.05493	100.0
139.05847	3.6
154.05016	0.9
154.46890	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	138.0549
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03938	0.5
55.01876	0.1
56.96550	0.4
65.03941	0.9
67.05502	1.0
69.25540	1.1
78.03447	0.3
79.04219	0.2
88.47649	0.1
92.05000	2.7
93.05793	0.8
94.06562	19.5
95.06890	0.6
96.04489	3.2
98.20721	0.2
110.06036	17.3
111.06370	0.5
119.01869	0.1
130.03510	0.3
133.01593	0.2
133.03452	0.5
134.02986	0.1
136.03882	0.1
138.05493	100.0
139.05838	4.1
154.04976	0.8
158.21577	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	141.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39974	1.6
54.03452	2.3
55.01852	3.1
56.05040	24.9
56.96564	9.4
58.06601	2.3
59.06115	4.4
60.04519	3.3
62.51687	1.6
67.01875	1.8
67.05496	3.5
68.04734	1.5
68.05029	14.0
69.03392	1.8
69.07066	12.0
70.06610	2.1
70.13507	8.7
71.06116	100.0
71.08641	10.1
72.04490	6.3
82.06556	3.6
83.06098	8.5
84.04506	2.9
86.08411	2.3
86.09695	3.1
95.08602	2.8
96.04469	2.5
96.08149	2.5
97.07669	2.4
97.57512	1.7
98.07154	2.1
98.97591	4.1
99.97910	4.4
101.07143	3.0
107.08614	1.9
112.08702	1.9
113.02338	2.2
116.98624	5.2
117.98925	4.6
124.11230	31.9
134.99663	2.5
136.00021	4.3
141.01826	3.2
141.02933	2.5
141.06572	1.7
141.13860	68.4
141.14955	3.5
142.04970	1.7
142.09764	7.0
151.05161	1.7
153.00722	1.8
154.71524	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.00287	0.6
53.03944	1.5
55.01859	0.8
55.05513	6.4
56.67164	0.4
57.07075	8.9
62.42838	0.5
64.71050	0.5
65.03930	1.8
65.32083	0.4
66.04711	1.4
67.05503	27.2
68.05843	1.3
69.07066	8.3
71.08609	1.1
71.11161	0.5
71.11495	0.9
79.05491	12.8
80.05011	0.6
81.07055	88.8
82.06578	0.8
82.07378	3.4
91.05474	3.3
92.04971	0.5
93.07042	7.7
94.04188	9.7
95.04973	1.7
95.08604	100.0
96.08944	4.6
97.06396	1.5
107.08608	0.9
109.06498	1.9
109.10158	6.3
110.06045	1.1
110.07165	1.3
113.39832	0.5
120.04476	0.8
122.03646	12.0
122.07281	1.0
122.10909	0.5
123.04018	0.7
137.02411	1.7
137.05977	16.8
137.07028	0.9
137.08188	0.6
137.09595	1.7
137.13261	8.5
138.01758	0.6
138.05475	2.8
138.06485	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1324
Annotation	alpha-Terpinene
Peak:m/z	Relative Intensity
55.05506	6.1
56.44779	0.6
56.52595	0.7
57.07070	11.7
60.06548	0.7
65.03941	1.5
66.04726	0.9
67.05499	26.2
68.05833	0.9
69.07065	8.3
69.45048	6.4
75.72023	0.7
79.05481	10.8
81.07052	71.3
82.07401	2.6
91.05462	2.3
93.07037	6.4
93.81846	0.9
94.04169	1.1
95.08601	100.0
96.08949	4.5
107.08599	1.4
108.09398	0.8
109.10141	8.4
122.03654	1.8
137.05980	5.4
137.09772	0.9
137.13245	9.4
138.05513	1.2
145.44315	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03945	3.3
55.01868	1.4
55.05510	5.9
56.03775	0.7
56.05036	0.9
56.96575	1.4
57.07070	10.5
65.03946	3.9
66.04714	3.0
67.05500	32.9
68.05036	1.7
68.05844	1.0
69.03416	1.1
69.04533	2.0
69.07058	8.4
70.06577	0.9
71.08621	1.0
71.59668	0.7
72.04523	1.4
79.05492	11.9
80.05032	1.1
81.03416	1.8
81.04556	1.7
81.07052	81.8
82.06594	2.2
82.07389	2.5
83.06110	1.0
91.05469	8.3
91.51582	0.6
91.78387	0.6
92.05019	1.1
92.05791	0.7
93.07032	8.7
94.04178	18.7
94.06564	1.4
95.04494	0.7
95.04989	5.0
95.06085	2.4
95.08601	100.0
95.42951	0.6
96.04484	2.5
96.05644	1.1
96.08944	4.1
97.06384	3.7
97.07659	1.0
98.04800	2.7
107.04966	1.5
107.08549	1.5
109.06521	6.6
109.07648	1.5
109.10149	9.8
110.06042	4.6
110.07193	4.1
111.05570	1.5
119.04920	1.0
119.08552	1.5
120.04483	1.9
120.05551	0.9
121.02872	1.0
121.06451	0.7
122.03639	21.9
122.07278	2.8
123.03943	1.4
137.02502	6.3
137.03470	1.1
137.05972	39.1
137.07002	2.4
137.08153	2.8
137.09610	7.4
137.13223	9.4
138.01762	3.7
138.02692	0.6
138.05492	10.4
138.06488	4.3
138.09148	2.2
138.10188	1.6
138.13573	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1324
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
52.18195	0.5
53.03935	1.9
55.01864	1.5
55.05504	7.3
55.78641	0.5
56.96566	1.1
57.03423	0.6
57.07073	7.7
62.18253	0.5
65.03937	2.1
66.04717	0.8
67.05498	36.3
67.73220	0.5
68.05825	1.3
69.03425	2.1
69.07065	6.3
71.08601	0.8
79.05485	10.4
80.60023	0.8
81.03400	1.1
81.07050	72.5
82.06577	0.8
82.07379	2.2
82.13743	0.6
83.04965	0.6
85.09795	0.5
91.05476	8.8
92.05820	0.8
93.07037	9.7
94.04170	5.0
94.06549	0.9
95.04970	4.3
95.08597	100.0
96.08919	4.2
107.08569	1.1
108.09348	0.9
109.06508	3.2
109.10149	7.7
110.06020	2.0
110.07158	0.7
115.17519	0.5
119.08559	2.8
119.13957	0.5
120.04453	1.5
122.03654	6.0
122.07297	1.0
130.13326	0.6
137.02376	1.9
137.05995	8.5
137.07024	1.1
137.09610	15.0
137.10695	0.8
137.13228	9.3
138.05479	3.1
138.06407	1.0
138.09071	0.7
138.09999	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03934	2.4
55.01889	0.9
55.05503	2.5
56.12446	0.6
65.03932	1.3
66.04726	1.3
67.05502	28.4
68.05820	0.6
69.03426	1.1
69.07066	0.9
69.66199	1.1
69.66611	3.9
79.05492	4.7
81.07049	13.1
86.82397	0.6
91.05473	14.7
93.07032	4.5
94.04176	6.4
94.07858	1.0
95.04961	4.8
95.08599	10.6
96.28001	0.6
103.05464	1.9
104.06274	1.1
107.04948	22.0
107.08570	1.6
109.06557	1.0
109.10151	35.8
110.06013	0.8
110.10486	1.3
117.07019	2.3
119.08571	16.8
120.04501	0.7
120.08887	0.7
121.06511	10.2
122.03652	8.5
122.07278	100.0
123.07616	3.2
135.02034	0.6
135.08046	5.5
137.02438	0.7
137.05986	13.1
137.09608	88.1
138.05463	1.6
138.06433	1.0
138.09985	4.0
139.07545	0.6
139.44630	0.6
153.72334	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03947	5.7
54.03466	4.7
55.01869	6.9
55.05509	10.4
56.05018	2.7
56.96547	3.9
57.03409	1.0
57.07056	1.4
65.03942	8.4
66.04704	2.0
66.09919	0.9
67.05501	77.9
68.05007	3.4
68.05811	1.4
68.99793	1.2
69.03086	1.0
69.03416	6.0
69.04552	5.0
69.07056	4.1
70.02950	1.6
70.06559	1.3
70.23236	0.8
70.70120	0.8
71.04323	2.5
71.28886	0.8
72.04501	2.8
75.10742	1.0
77.03899	0.9
77.24706	0.8
79.05489	16.5
80.05007	2.1
81.03414	6.2
81.04539	14.8
81.05792	1.6
81.07051	41.9
82.02921	0.9
82.06578	5.8
83.04976	2.4
83.06102	5.5
91.05476	47.9
92.04987	1.5
92.05796	1.9
93.04520	2.2
93.05784	1.1
93.07038	14.8
94.04182	23.8
94.06567	4.3
94.07839	1.6
95.04965	33.1
95.06070	4.0
95.08602	21.4
96.04488	3.2
96.05663	6.4
96.06851	1.6
96.08088	1.1
97.04005	1.8
97.06392	20.8
97.07658	3.7
98.04782	3.2
103.05458	2.4
104.06272	1.7
105.04470	1.1
105.07016	2.1
107.04951	28.7
107.06029	1.1
107.08591	6.3
108.04501	1.2
108.05703	3.3
109.06511	72.2
109.07681	2.3
109.10149	53.4
110.06087	7.5
110.07176	15.9
110.10477	2.2
111.05547	4.5
117.07016	4.7
117.27840	0.9
119.04926	3.9
119.06052	2.6
119.08568	21.0
120.04454	3.3
120.05576	3.2
121.06483	9.1
121.07430	2.0
122.03647	25.1
122.07277	83.9
123.04042	0.9
123.06811	1.7
123.07654	3.5
127.03897	1.1
135.04446	1.0
135.08041	3.1
137.02515	5.0
137.03481	1.8
137.05978	47.2
137.07089	3.4
137.08226	10.8
137.09608	100.0
138.05489	23.0
138.06569	7.7
138.09105	3.8
138.10110	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02372	0.7
53.03947	1.3
55.01868	0.6
59.87954	0.2
65.03944	1.8
65.80091	0.3
66.04722	7.7
67.01893	0.3
67.05053	0.2
67.05504	0.7
69.03445	0.3
70.22057	1.1
77.03931	1.0
79.05488	4.7
81.07050	1.8
81.31113	0.2
91.05479	4.0
94.04186	51.6
95.04435	1.6
95.05060	1.3
97.65766	0.3
105.03386	0.7
107.04951	1.7
109.06527	0.8
122.03645	70.6
123.03970	2.8
128.42415	0.3
135.04388	0.9
137.05974	100.0
138.06314	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02379	0.6
52.03176	0.3
53.03949	1.8
54.03476	0.7
55.01884	1.0
55.05512	1.5
56.05035	0.4
56.96568	1.2
57.07072	0.7
65.03941	2.9
66.04718	7.6
67.05153	0.7
67.05502	6.7
68.05016	1.0
69.03433	0.9
69.04547	1.6
69.07071	1.0
70.14258	0.4
72.04508	0.9
79.05492	8.3
79.05952	0.4
81.03421	1.3
81.04540	2.1
81.07057	10.8
82.06593	1.9
83.06120	1.0
91.05481	9.1
92.05004	0.7
92.05813	1.3
93.04534	0.5
93.07054	2.8
94.04189	49.8
94.06579	1.8
95.04530	0.8
95.05008	5.0
95.06081	1.2
95.08600	11.1
96.04485	0.7
96.05586	1.4
96.06880	0.5
97.06395	5.4
98.04805	0.9
100.47980	0.4
105.03404	0.9
105.04507	0.9
107.04973	2.4
109.02833	0.4
109.06524	3.5
109.07606	1.0
109.10144	2.3
110.06059	2.5
110.07166	4.2
111.05572	1.1
119.04922	0.8
119.08562	1.0
120.04476	1.4
120.05490	0.5
121.06485	0.5
121.07543	0.5
122.03648	66.5
122.07272	2.6
123.03961	2.7
123.06801	0.7
132.10590	0.4
135.04437	0.6
136.05139	0.4
137.02499	2.6
137.05978	100.0
137.08084	3.8
137.09573	5.0
137.13226	1.0
138.01726	1.0
138.05481	6.8
138.06435	4.7
138.09129	1.7
138.10210	1.0
144.55449	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0757
Annotation	N-Benzylformamide
Peak:m/z	Relative Intensity
51.02384	2.6
53.03943	19.6
54.03468	4.2
55.01865	1.8
60.53511	1.1
64.35979	1.1
65.03951	7.3
66.04710	3.9
67.02984	1.6
67.05502	8.7
68.05021	10.9
70.02931	1.6
70.72199	2.5
74.72691	1.1
77.03929	3.2
78.04724	1.4
79.05480	7.6
80.05019	5.3
80.05811	2.0
81.03421	2.3
81.04547	3.2
81.07047	11.1
82.02915	1.8
82.06575	2.5
91.05477	58.3
92.05019	1.6
92.05807	8.2
93.05780	9.7
93.07045	25.4
94.04184	20.4
94.06577	3.6
94.07360	6.9
95.04958	38.0
95.06060	6.3
95.08598	7.0
96.05637	1.3
96.06871	11.3
97.06387	4.0
98.48038	1.3
105.04511	7.6
106.07348	2.3
107.04965	1.4
107.08584	2.7
108.04483	2.9
108.08119	13.2
108.08923	9.8
109.01083	3.3
109.06521	6.4
109.07639	13.5
109.10117	2.0
110.06049	1.8
110.07146	5.1
118.06541	2.9
119.03584	1.4
119.04956	2.4
119.06099	2.4
119.08583	1.4
120.08912	1.7
121.06419	1.9
122.03635	29.1
122.07273	2.6
126.05516	8.8
131.01918	1.9
136.02158	34.0
136.03958	3.5
136.06223	9.0
136.07587	100.0
136.08665	15.1
136.12077	3.1
137.02463	1.9
137.04558	2.2
137.04791	1.9
137.05972	44.0
137.07054	2.1
137.08040	6.8
137.09628	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02381	0.7
53.03946	1.2
55.01872	0.9
56.96566	0.3
65.03935	2.7
66.04720	8.4
67.05164	0.2
67.05501	1.4
69.03423	0.4
69.92981	0.9
72.51863	0.2
73.89783	0.2
74.88689	0.2
77.03928	0.9
79.05489	4.9
80.05843	0.3
81.03388	0.3
81.07050	2.6
82.06574	0.2
82.88898	0.2
89.18870	0.2
91.05480	4.9
92.05819	0.5
93.03410	0.3
93.07063	0.2
94.04182	56.3
95.04424	1.6
95.05043	1.9
95.08606	0.8
96.04485	0.3
98.21450	0.3
99.58906	0.2
105.03378	1.0
105.04482	0.3
107.04964	1.6
109.06508	1.1
109.07664	0.2
110.06015	0.3
111.04427	0.4
120.04461	0.5
122.03642	74.8
123.03966	3.8
135.04416	0.8
137.05971	100.0
138.05452	0.8
138.06337	5.7
138.09131	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0617
Annotation	Adenine
Peak:m/z	Relative Intensity
52.20697	0.4
63.27889	0.4
64.32162	0.4
67.02963	0.4
69.99212	2.2
83.82101	0.4
92.02472	0.6
94.04052	4.2
109.05092	0.7
109.07610	0.6
112.05078	0.5
119.03545	10.0
136.02158	1.8
136.06183	100.0
137.04601	7.5
137.06577	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	136.0756
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
53.00512	0.6
54.03453	1.0
55.01868	0.7
56.96560	1.8
63.65271	0.6
65.03931	2.4
67.05504	1.1
68.05019	1.3
69.04559	1.0
69.08898	0.6
71.45113	1.2
71.45443	0.8
71.65712	0.6
76.03308	0.5
78.71362	0.6
79.05501	1.2
79.92395	0.5
80.05007	2.4
81.03406	0.9
81.04547	2.8
81.07058	2.0
82.06561	1.1
90.04244	0.9
91.05473	100.0
92.05808	3.5
93.05770	1.3
94.04140	1.3
94.06561	1.6
95.05011	1.2
95.06083	1.7
96.06883	1.7
97.06384	1.6
100.25964	0.6
107.04940	4.5
108.04501	1.1
108.05244	0.6
108.08109	2.1
109.01077	1.1
109.06519	4.5
109.07668	3.4
110.07193	0.9
117.05776	1.1
118.06547	7.2
119.03546	2.3
119.04934	21.1
121.57186	0.8
122.03600	0.7
136.02158	11.4
136.03938	1.6
136.05098	1.2
136.06187	15.3
136.07573	22.4
136.08655	2.8
137.04591	1.3
137.05969	2.7
137.08115	1.9
137.09703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03952	7.8
55.01861	4.6
55.05518	10.9
60.23527	1.4
65.03944	7.7
65.04246	1.4
67.05166	2.1
67.05506	28.7
68.05007	1.8
69.03425	2.2
69.07057	7.8
70.17254	3.2
70.17673	5.7
79.05496	74.3
80.05008	5.2
80.05798	2.6
81.07056	25.8
91.05482	52.7
93.05782	4.4
93.07045	100.0
94.07378	1.8
95.04972	17.7
98.20879	2.4
105.04513	2.5
105.07028	15.1
107.04944	9.9
107.06084	1.9
107.08595	85.9
108.04476	3.1
108.08125	5.8
108.08879	3.6
109.01096	5.7
109.06513	5.9
111.59002	1.5
115.05456	5.5
117.06995	4.4
118.06573	2.6
119.03536	2.9
119.06084	3.1
119.08572	5.9
120.09444	1.9
128.61978	1.5
135.04411	8.6
135.05522	5.1
135.06557	4.2
135.08064	27.1
135.09067	2.6
135.11687	48.6
136.02165	93.8
136.03926	7.7
136.05119	3.7
136.06184	36.3
136.07559	11.1
136.08525	2.6
137.04555	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	136.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35836	0.2
55.01876	0.4
56.96560	1.9
65.03926	1.5
67.02985	0.7
67.05507	0.4
68.05036	0.6
69.03433	0.4
71.05016	0.2
71.58939	0.4
73.88744	0.2
75.48974	0.2
79.05490	1.0
80.05016	0.7
81.04567	0.3
81.07050	0.7
82.06563	0.7
85.65495	0.3
91.05478	40.7
92.02486	0.8
92.04992	0.5
92.05814	1.5
93.05782	1.0
93.41713	0.3
94.04053	4.1
94.06561	0.4
95.04979	0.4
100.02479	0.5
106.06562	0.5
107.04941	1.8
107.07387	0.3
108.08125	1.7
109.05123	0.8
109.06492	0.8
110.97555	0.4
112.05077	0.5
118.03519	0.6
118.06585	1.3
119.03561	9.8
119.04920	10.4
120.05296	0.4
122.03662	0.6
128.98584	0.5
131.01918	2.5
136.02229	1.3
136.06181	100.0
136.07523	7.7
137.04572	8.3
137.05905	2.7
137.06619	1.4
145.03438	0.3
146.99631	0.4
149.02956	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03949	8.7
55.01862	2.4
55.05514	7.9
59.35229	0.8
65.03940	3.0
65.75024	0.9
67.05515	5.3
68.05037	5.4
69.07069	4.2
77.03925	1.5
79.05495	32.2
80.05006	2.0
80.05817	1.3
81.03400	1.1
81.07055	4.7
83.06052	1.0
89.03918	2.6
91.05482	59.4
92.02615	1.7
92.05802	1.8
92.06312	1.0
93.05794	3.4
93.07047	56.7
94.04102	0.8
94.07347	1.7
95.04968	19.3
95.06070	3.9
96.06879	5.8
99.02094	1.2
103.05478	1.4
105.03410	1.3
105.04503	2.2
105.07034	24.6
107.04962	7.1
107.08595	100.0
108.04486	1.3
108.05653	1.1
108.08102	3.2
108.08920	2.9
109.01091	1.9
109.06525	9.3
109.07640	5.5
115.05467	4.4
117.03382	1.3
117.07013	3.3
119.06084	4.3
119.08578	12.5
120.09400	4.5
131.01997	0.9
133.10123	1.2
135.04401	13.8
135.05518	2.2
135.06604	2.4
135.08066	15.5
135.11696	26.6
136.02167	24.7
136.03879	2.1
136.05086	1.6
136.06169	7.9
136.07562	10.5
136.08678	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02388	0.6
53.03944	3.9
55.01856	0.8
55.05505	10.7
57.07078	0.6
65.03937	2.9
67.05502	3.2
68.05013	1.0
69.07061	4.0
71.05373	0.9
77.03914	0.9
78.04691	0.7
79.05490	20.4
80.05009	0.4
80.05827	0.5
81.03432	0.6
81.07041	3.1
81.51594	0.4
91.05474	45.4
92.02598	0.4
92.05767	0.8
92.06279	0.8
93.07037	51.8
94.07359	1.2
94.07826	1.2
95.04961	10.1
95.08622	0.8
96.05216	0.5
96.06873	0.5
103.05463	1.0
105.04510	1.6
105.07024	20.1
106.04144	0.7
107.04940	1.4
107.08586	100.0
107.49018	0.4
108.04531	0.4
108.08179	0.7
108.08902	3.8
109.01109	0.4
109.06513	10.4
109.07627	0.7
115.05407	2.7
117.07003	2.7
118.06514	0.4
119.06052	2.6
119.08569	8.1
120.09419	2.9
124.05212	0.6
133.10104	1.4
135.04422	2.4
135.08043	4.6
135.11684	17.4
136.02164	5.0
136.06190	1.3
136.07553	3.3
136.08536	1.0
136.11996	0.7
139.63373	0.4
141.03825	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02378	1.3
53.03942	10.8
54.03466	2.2
55.01848	2.7
55.05507	8.3
56.96549	1.4
57.07059	1.8
62.87793	1.0
65.03925	4.5
67.02972	1.0
67.05501	8.4
68.05024	8.6
69.07050	4.3
71.58923	1.7
79.05487	38.7
80.05009	4.1
81.03391	2.0
81.07047	6.1
81.20210	1.0
89.03898	3.6
90.80028	1.0
91.05474	72.5
92.02650	1.9
92.05810	3.3
93.04507	1.3
93.05777	4.3
93.07035	60.3
94.06530	1.2
95.04961	23.4
95.06066	3.8
96.06859	7.6
103.05481	2.1
105.04504	2.7
105.07022	26.0
106.07262	1.2
107.04965	9.9
107.08585	100.0
108.04507	2.5
108.05589	1.2
108.08108	4.8
108.08919	4.0
109.01088	3.7
109.06512	14.0
109.07653	4.8
110.19257	1.1
115.05436	7.1
117.06995	8.4
118.06567	1.6
119.06023	4.8
119.08563	17.1
120.09338	6.1
133.06538	1.2
133.10167	1.4
135.04413	13.4
135.05515	5.3
135.06573	3.1
135.08069	16.7
135.09105	2.0
135.11678	31.2
136.02151	41.9
136.03876	2.9
136.05054	2.6
136.06139	11.0
136.07552	14.6
136.08682	8.3
137.04510	1.4
141.69511	1.2
146.82222	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03949	6.1
54.03466	0.9
55.01862	1.7
55.05509	10.8
56.96558	2.0
57.07054	0.8
59.74694	0.9
65.03937	3.1
67.05504	5.2
68.05025	3.0
69.07069	4.4
69.60246	0.7
70.69350	1.3
70.69684	1.5
79.05492	31.4
80.05022	1.9
81.07057	6.8
89.03918	2.0
91.05482	54.2
92.05811	1.8
93.05797	1.6
93.07040	54.1
94.07356	1.7
95.04977	14.1
95.06082	1.1
96.06875	2.5
100.54861	0.8
103.05488	1.4
104.06239	1.1
105.04508	2.0
105.07028	23.7
106.07836	1.4
107.04953	5.6
107.08594	100.0
108.08205	1.2
108.08900	4.3
109.01113	2.4
109.06519	10.0
109.07661	2.2
115.05448	4.0
117.07037	4.4
118.06605	1.1
119.06088	4.3
119.08588	10.6
120.09418	4.2
124.05210	0.8
133.10089	1.2
135.04466	6.3
135.05475	1.5
135.06552	2.0
135.08075	9.8
135.09090	1.3
135.11688	23.2
136.02165	22.3
136.03893	2.1
136.05186	1.5
136.06158	6.8
136.07562	4.0
136.08696	4.2
136.12056	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01860	1.1
55.05510	8.3
57.07071	0.8
65.03935	2.3
67.05508	3.7
68.05018	1.3
69.07067	3.5
70.84345	1.7
72.70210	0.7
77.03915	1.0
79.05486	21.8
80.05851	0.8
81.03392	0.7
81.07056	4.0
83.06067	0.8
91.05476	42.6
92.05811	1.6
93.07038	53.9
94.07362	2.0
95.04963	9.2
96.06853	1.3
103.05452	1.0
105.04507	1.9
105.07023	17.5
107.04927	1.9
107.08588	100.0
108.08929	3.8
109.06523	9.0
109.07640	1.6
115.05444	1.6
117.06998	2.1
119.06053	2.5
119.08577	7.6
120.09354	2.6
133.10164	1.1
135.04451	4.8
135.05357	1.2
135.06586	0.8
135.08041	3.0
135.11682	18.0
136.02142	6.7
136.03864	1.1
136.06187	2.1
136.07605	1.1
136.08655	1.4
136.11986	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03946	8.8
55.01862	1.0
55.05257	1.3
55.05507	17.2
60.27333	0.8
64.75078	0.9
65.03920	2.1
67.05499	20.1
68.05015	4.3
69.07063	8.4
70.67735	1.8
76.58927	1.0
77.03914	2.0
78.04704	0.9
79.05489	72.7
80.05020	0.9
80.05832	2.9
81.07053	26.1
83.57884	1.1
87.05565	2.5
89.03912	3.0
91.05477	48.7
92.05789	1.7
93.07037	100.0
94.06533	1.1
94.07355	2.6
94.07864	1.4
95.04968	16.2
95.06074	3.1
96.06863	4.1
105.04498	2.9
105.07023	16.9
107.04940	5.7
107.08587	85.0
108.04433	1.3
108.08167	1.0
108.08958	2.9
109.06509	6.7
109.07629	4.1
115.05428	1.3
117.07026	2.3
118.06523	0.9
119.06069	2.7
119.08593	7.1
120.09348	2.4
133.10112	1.6
135.04463	6.2
135.05455	1.8
135.06433	1.4
135.08122	5.5
135.09001	1.2
135.11681	46.1
136.02155	13.3
136.05139	0.8
136.06129	4.4
136.07610	1.6
136.08598	5.4
136.12021	2.3
137.25563	0.9
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
53.03950	5.5
53.58018	0.7
53.95618	0.7
55.01877	1.2
55.05513	9.6
56.96567	0.6
57.07075	1.3
58.44284	0.6
59.17570	0.6
65.03943	4.4
67.05519	2.2
68.05038	1.4
69.07076	3.5
70.41164	0.8
71.03844	1.0
71.04154	0.9
73.77814	0.6
77.03947	1.3
77.13399	0.6
79.05492	23.6
80.05801	0.6
81.07053	3.3
87.05592	0.8
91.05480	65.7
92.05795	1.4
92.06300	1.3
93.07044	52.6
94.07330	1.2
94.07868	1.1
95.04970	12.6
95.06069	0.9
95.08615	1.2
96.06849	1.0
103.05479	1.3
104.06200	0.9
105.04517	1.4
105.07031	31.5
106.07841	1.0
107.04984	3.1
107.08595	100.0
108.08945	3.9
109.06522	13.5
109.07619	1.3
115.05450	1.2
117.07008	3.7
119.06122	4.3
119.08585	22.0
120.09406	8.3
122.90088	0.6
133.10135	1.9
135.04428	1.3
135.06601	0.7
135.08073	5.7
135.11688	28.6
136.02130	4.3
136.03868	0.8
136.06189	1.5
136.08662	1.2
136.12062	0.8
137.09595	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02381	0.6
53.03939	4.0
55.01858	0.6
55.05509	11.1
57.07075	0.8
65.03949	2.1
67.05502	4.2
68.05025	0.9
69.03438	0.6
69.07065	4.5
69.83810	2.2
77.03922	0.8
79.05488	25.3
80.05823	0.5
81.03396	0.4
81.07058	4.7
88.70892	0.3
91.05476	42.4
92.05794	1.3
93.07037	66.5
94.07310	2.1
94.07819	1.1
95.04962	10.3
95.06050	0.5
95.08588	0.5
96.06877	0.4
103.05474	0.5
104.06207	0.5
105.04515	2.4
105.07024	17.5
106.07246	0.5
106.07888	0.8
107.04938	1.3
107.08587	100.0
108.08910	4.4
109.06508	8.0
109.07648	0.6
110.06855	0.4
115.05428	1.4
117.06999	2.5
119.06056	2.5
119.08580	7.2
120.09387	2.4
124.05164	0.4
133.10120	0.8
135.04410	1.4
135.05397	0.4
135.08051	2.9
135.08925	0.5
135.11682	19.7
136.02155	4.2
136.06171	1.2
136.07571	0.8
136.08572	0.7
136.11995	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	1.2
53.03941	5.8
54.36729	1.0
55.01875	2.0
59.06118	1.0
63.02384	5.5
65.03960	1.0
67.05485	1.1
68.05032	2.5
68.23981	1.0
70.70281	2.2
75.05591	1.2
76.66542	1.1
77.62518	1.0
79.05054	1.9
79.05492	25.5
80.05029	1.2
81.03423	1.7
81.04555	1.2
87.05579	3.4
89.03917	100.0
90.04251	3.6
91.05485	12.3
93.07031	4.7
95.04972	15.0
95.06049	1.6
95.07315	1.1
96.06879	4.0
105.04512	1.3
105.07037	2.3
107.04960	24.4
107.06078	1.9
107.08603	7.3
108.04478	1.1
109.06522	1.1
109.07631	2.8
110.69233	1.0
117.03380	34.9
118.03629	1.1
119.06087	1.1
119.31700	0.9
135.04419	84.8
135.06520	2.0
135.08040	2.9
135.09117	2.0
135.11719	2.8
136.02171	16.7
136.03839	1.6
136.04797	2.9
136.06186	12.7
136.07671	2.1
136.08603	4.7
137.04648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
52.08948	1.0
53.03949	5.1
55.01854	1.4
60.04502	2.7
63.02366	4.2
65.21771	0.9
68.05014	1.5
69.64309	4.2
69.64732	3.7
71.21143	1.2
75.05576	2.2
79.05051	2.0
79.05482	18.2
87.05586	6.3
89.03912	100.0
90.04249	2.3
91.05469	4.3
93.07043	1.7
94.06532	1.1
95.04945	10.3
95.06052	1.9
96.06853	1.9
98.20776	2.0
105.04501	2.9
105.07063	1.5
107.04945	21.2
107.08566	5.6
107.50722	1.0
109.07637	2.1
117.03368	38.6
118.03752	1.4
118.06534	1.1
135.04408	65.4
135.08052	2.6
135.09177	1.6
136.02159	12.4
136.03827	2.0
136.04791	2.2
136.06146	4.1
136.07651	1.8
136.08655	2.0
147.22443	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.58776	1.1
53.03939	8.5
55.01864	2.2
55.05511	10.7
57.07052	1.3
65.03928	3.3
67.05503	29.0
69.07075	7.8
71.40103	1.8
74.56839	1.2
79.05492	71.1
80.05010	1.5
80.05820	2.2
81.07053	28.1
82.07347	1.2
91.05479	32.2
93.07038	100.0
94.07348	3.2
95.04961	13.9
105.04502	2.8
105.07014	9.0
105.16685	0.9
105.46004	1.1
107.04974	4.9
107.08591	63.4
108.04471	1.4
108.08179	1.9
108.08938	3.2
109.01084	3.3
109.06502	3.8
117.07011	1.4
118.03998	1.3
118.06535	1.5
119.08553	2.3
135.04417	4.0
135.05499	2.5
135.06500	1.3
135.08049	8.4
135.09067	1.6
135.11685	55.7
136.02159	36.3
136.03903	3.7
136.06178	18.1
136.07565	4.6
136.12022	3.4
137.04582	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
53.03948	16.2
54.03461	1.6
55.01859	6.1
55.05505	11.7
56.76355	1.2
59.06110	2.3
60.04518	1.8
63.02369	6.0
65.03925	4.3
67.02983	2.0
67.05506	16.2
68.05035	9.2
69.07063	4.9
69.71868	1.6
71.58790	1.5
75.05591	1.7
79.05489	79.0
80.05009	3.6
80.05795	1.9
81.03412	3.1
81.07051	14.9
87.05591	9.4
89.03915	100.0
90.04256	2.7
91.05479	57.1
92.02622	5.1
93.04511	2.0
93.05795	3.1
93.07037	68.6
94.06585	1.9
95.04966	40.2
95.06070	7.4
96.06882	8.0
105.04513	6.5
105.07009	20.0
107.04955	39.5
107.06084	3.3
107.07854	3.3
107.08590	65.0
108.04504	2.2
108.05540	1.5
108.08118	4.4
108.08904	1.4
109.01107	4.9
109.06507	8.7
109.07607	7.6
115.05478	6.9
117.03373	33.6
117.07016	4.9
118.06555	2.5
119.06067	3.8
119.08558	7.8
120.05675	2.0
120.09357	1.5
135.04424	82.7
135.05511	6.1
135.06581	3.6
135.08087	32.6
135.09169	3.9
135.11678	27.8
136.02159	42.6
136.03830	3.2
136.04889	4.0
136.06126	8.8
136.07571	12.7
136.08690	10.7
154.80110	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.044
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
50.32151	0.7
50.89824	0.8
53.03955	4.1
55.01858	1.0
59.56393	0.8
63.02363	5.4
65.03952	0.8
68.05029	1.0
71.05333	2.5
71.05695	0.9
75.05633	0.8
77.03899	0.9
79.05495	19.2
87.05619	1.4
87.45559	0.8
89.03916	100.0
90.04247	3.3
91.05490	2.0
93.07023	1.7
95.04977	7.8
96.06863	1.6
105.04530	1.1
107.04959	19.3
107.08586	2.0
108.08119	0.9
117.03374	36.0
118.03758	1.0
135.04413	64.3
135.08028	1.0
135.11717	0.9
136.02193	5.1
136.04778	2.4
136.06232	1.3
136.07631	1.3
136.08694	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99066	0.8
51.90754	0.6
53.03943	3.1
54.04284	0.7
55.01861	1.5
56.05038	13.0
56.96560	4.0
57.03411	1.3
58.02948	1.1
58.06589	0.8
59.06111	2.4
59.99110	42.3
60.04524	3.8
60.22012	0.6
63.02387	0.9
66.03461	1.3
67.05513	1.2
70.06579	1.8
70.19316	1.5
70.19711	1.7
71.04997	0.9
72.04523	0.7
72.08157	2.4
74.02440	1.0
74.06077	2.4
75.05603	3.9
76.04004	1.1
78.00150	9.2
78.04708	4.6
79.05050	1.3
79.05490	16.1
80.05016	2.5
81.04565	0.8
84.08148	0.9
86.06044	0.9
87.05594	9.9
88.02217	60.9
88.07639	1.6
89.02543	1.2
89.03917	23.2
91.05495	5.4
92.05843	1.0
92.90081	2.2
93.04523	1.3
93.07026	2.8
94.05311	0.8
94.06588	0.7
95.04971	5.7
95.07334	0.7
96.04487	0.7
98.06046	1.1
98.20834	1.4
101.07144	0.9
105.02473	4.0
105.03392	2.6
105.04552	1.8
105.07056	1.9
106.03252	34.1
106.06554	8.7
106.07290	1.2
107.04957	14.2
107.06101	2.9
107.08604	5.7
108.02104	0.9
108.05647	0.9
108.08155	1.1
109.06499	1.2
109.84693	0.7
113.66634	0.7
115.05465	1.0
116.05314	16.3
116.07097	1.0
117.03392	8.7
117.06142	1.0
126.19131	0.6
134.06343	100.0
134.09679	2.4
135.04430	25.6
135.05531	3.4
135.06551	4.4
135.08101	4.9
135.09079	1.1
135.11711	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.02861	0.5
51.02352	0.8
53.03944	3.2
55.01857	2.2
55.05516	3.6
56.05010	0.7
56.11780	0.5
56.96540	2.0
65.03928	0.9
67.05515	1.3
70.06557	0.7
71.04984	1.3
71.59621	0.6
71.60072	0.7
77.03929	0.7
78.20883	0.5
79.05489	12.8
81.04567	0.7
88.02224	0.9
91.05481	27.8
92.05789	1.3
93.07032	1.6
95.04967	3.9
96.61432	0.5
98.95835	0.6
98.97202	0.6
103.05453	8.2
105.03413	1.5
105.07027	100.0
106.06558	3.0
106.07358	4.1
107.04941	0.7
110.01204	0.5
112.02173	1.3
113.02972	1.3
115.05469	4.1
117.07016	1.7
117.12473	0.6
118.04166	1.6
118.07823	2.0
123.07938	3.6
129.28931	0.5
131.04947	0.9
131.08571	4.5
133.02910	0.9
133.06503	31.0
133.07584	3.8
133.10127	23.2
133.54982	0.6
134.06010	3.5
134.06947	2.0
134.09633	0.7
134.10504	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03941	1.4
55.05509	2.3
65.03947	0.8
67.05499	0.9
70.18327	1.7
79.05485	8.7
91.05474	23.3
92.05800	1.0
92.06313	0.6
93.07040	5.4
95.04951	2.4
98.21494	0.6
103.05453	4.0
105.07022	61.9
106.07341	2.9
107.08600	1.4
108.27135	0.4
115.05445	7.8
116.06290	1.0
117.07023	8.4
118.07802	9.1
129.06964	0.5
130.83981	0.5
131.08551	8.6
131.09496	0.5
133.10120	100.0
134.10451	6.7
144.69524	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09313	0.2
51.02376	0.3
53.03951	1.4
53.21660	0.2
55.05515	2.4
56.96556	0.3
65.03944	0.6
67.05499	0.9
67.19025	0.2
70.89088	0.2
70.93137	0.3
70.93481	0.5
77.03939	0.3
79.05053	0.5
79.05499	8.1
80.05840	0.3
91.05484	23.7
92.05794	0.6
92.06300	0.4
93.06464	0.4
93.07050	6.5
95.04971	2.4
103.05478	5.5
105.07034	61.0
106.07337	1.9
107.08597	1.6
107.09211	0.2
114.29524	0.2
115.05459	7.3
116.06324	1.3
117.07020	9.2
118.07811	10.2
119.08108	0.4
121.97453	0.2
123.07972	0.3
129.07001	0.6
131.07570	0.4
131.08574	7.9
132.08876	0.3
133.10135	100.0
134.06050	0.5
134.07031	0.3
134.10469	5.0
135.33313	0.2
151.83928	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03943	3.0
55.01865	1.1
55.05512	5.6
56.96555	1.6
57.03422	0.5
65.03931	0.8
67.05499	1.7
69.26827	1.2
69.27261	2.4
69.98275	0.3
71.04982	1.0
77.03931	0.4
79.05488	10.6
80.05856	0.4
81.04551	0.7
85.99103	0.3
88.02213	0.4
91.05480	33.1
92.05807	1.5
92.06301	0.4
93.07040	2.2
95.04958	2.6
97.84961	0.3
103.05468	5.7
105.07027	100.0
106.06564	1.2
106.07362	3.8
107.04908	0.5
107.08556	0.4
110.06019	0.3
112.02193	1.1
113.02979	0.4
115.05448	2.7
116.06270	0.4
117.06997	2.0
118.04164	1.4
118.07841	2.0
123.07948	2.2
131.08559	5.1
133.02881	0.8
133.05458	0.6
133.06503	16.9
133.07585	2.2
133.10127	26.9
134.06006	2.9
134.06941	1.4
134.10474	1.3
144.04755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03931	1.0
55.01859	0.5
55.05494	0.9
56.96547	0.7
65.03926	0.4
67.05510	0.6
70.85133	0.9
79.05491	6.2
86.17742	0.3
91.05479	18.4
92.05817	0.6
93.07042	1.2
95.05003	1.7
95.05485	0.3
103.05466	3.9
104.06300	0.4
105.07027	100.0
106.06635	0.6
106.07346	4.3
112.02167	0.5
113.02910	0.3
115.05438	1.0
115.45296	0.3
117.06998	0.9
118.07787	0.8
123.07991	1.2
129.06944	0.3
131.08559	3.1
131.12228	0.3
133.02878	0.5
133.06480	3.7
133.07593	1.4
133.10130	16.4
134.06001	0.7
134.06970	0.6
134.10474	1.1
138.17229	0.4
146.53104	0.3
150.56734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.05516	4.9
63.75994	0.7
67.05506	1.3
69.47366	7.1
71.04955	1.1
79.05487	13.0
81.04517	1.0
91.05474	35.2
93.07028	7.9
95.04977	4.1
103.05473	6.5
105.07024	91.2
106.06655	1.2
106.07366	4.0
107.08586	2.1
112.02166	1.8
115.05427	10.5
116.06268	1.1
117.07002	10.9
118.04188	0.8
118.07806	10.5
123.07949	3.1
129.06927	1.0
131.08562	14.6
133.06493	5.2
133.10123	100.0
134.05988	2.6
134.06943	1.1
134.10435	4.8
140.21750	0.8
144.04723	0.9
147.92412	0.9
153.00717	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02370	0.7
53.03946	4.5
55.01863	1.3
55.04252	0.5
55.05506	4.2
56.96558	1.4
58.05334	1.0
65.03922	0.9
67.05484	1.4
69.03404	0.6
69.49624	3.9
70.30939	0.5
71.04985	1.3
76.80528	0.4
77.03913	1.1
79.05486	12.3
81.04554	0.6
83.66731	0.4
85.01149	0.4
88.07627	0.6
91.05477	32.4
91.81945	0.4
92.05788	1.4
92.06313	0.7
93.07027	7.0
95.04971	4.3
98.21490	1.0
103.05463	7.7
105.03394	1.5
105.07025	100.0
106.06565	1.9
106.07356	4.3
107.06116	0.8
107.08588	2.0
112.02213	1.7
113.02999	0.6
115.05453	9.2
116.06236	1.1
117.07013	9.7
118.04156	0.9
118.07808	8.7
123.07951	3.2
129.07019	1.1
131.08572	10.4
133.02893	0.8
133.06512	12.6
133.10124	90.0
134.06018	4.9
134.07045	1.2
134.09636	0.6
134.10478	4.7
144.04816	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03947	2.2
55.05503	3.4
65.03925	1.2
66.85799	0.5
67.05486	1.3
69.63597	3.5
71.04982	0.6
77.03905	0.8
79.05488	9.6
81.04522	0.7
83.69440	0.4
88.72485	0.4
88.78819	0.5
91.05474	26.0
92.05767	0.6
93.05415	0.4
93.07042	8.1
95.04958	3.4
95.19975	0.4
95.20649	0.5
95.65965	0.4
96.31356	0.5
98.21469	0.9
103.05457	6.4
105.03423	0.7
105.07023	78.5
106.06686	0.6
106.07341	3.1
107.08585	1.4
112.02179	1.5
115.05442	8.5
116.06230	1.5
117.07010	9.3
117.10442	0.5
118.04108	0.5
118.07016	0.8
118.07805	11.0
123.07928	2.0
127.18393	0.5
131.08557	9.7
133.02853	0.7
133.06473	3.9
133.10120	100.0
134.05989	1.3
134.06973	0.9
134.10442	6.1
143.06088	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02373	0.7
53.03946	3.4
55.01873	1.7
55.04237	0.5
55.05504	2.4
56.96567	1.8
57.03413	0.5
58.05332	0.8
65.03925	1.5
66.04699	0.9
66.14462	0.3
67.05492	1.0
69.03437	0.4
69.49271	1.8
69.49701	1.2
71.04990	1.9
72.53186	0.4
73.02907	0.3
74.02416	0.8
74.06033	0.5
75.05640	0.3
77.03912	1.4
78.04710	0.6
79.05489	15.7
79.55123	0.3
80.05806	0.4
81.04525	1.5
82.05307	1.4
85.04002	0.6
87.05593	0.5
90.04698	1.6
91.05478	20.8
92.05794	0.6
93.07043	3.0
95.04965	4.8
97.02897	0.4
99.36522	0.4
102.40394	0.3
103.05470	11.2
105.03426	2.3
105.04534	1.1
105.07026	100.0
106.06608	0.6
106.07365	2.6
107.04959	0.5
107.08607	1.0
111.04422	0.8
112.02189	4.1
113.02983	2.2
115.05441	5.6
116.06246	0.9
116.07056	0.4
117.07016	4.5
118.04167	6.6
118.07806	4.9
123.07927	5.9
131.04913	0.7
131.08577	6.5
133.02887	1.6
133.06497	43.4
133.10123	45.1
134.06018	3.4
134.06956	1.7
134.10468	1.3
138.54526	0.3
144.04817	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
53.03967	0.4
56.05006	0.4
56.96319	0.3
56.96553	1.4
57.03423	0.3
57.05812	0.4
58.06587	0.5
61.01150	1.1
68.05023	0.5
69.03438	0.4
69.07067	15.4
69.35660	2.7
69.35982	0.5
82.06580	0.6
82.74960	0.3
84.04509	1.0
86.06078	1.0
86.09703	100.0
87.02704	1.2
87.10030	2.7
96.04507	0.4
108.08110	0.4
112.02224	0.3
113.63336	0.3
132.06587	0.3
132.10237	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03942	3.2
55.01867	2.5
55.05496	1.3
56.96556	1.3
58.44021	0.4
63.33425	0.3
65.03936	1.0
66.04713	1.2
67.05502	1.0
68.55598	0.4
69.39934	3.7
71.04981	0.7
76.40302	0.4
77.03916	0.8
79.05490	14.9
81.04533	0.7
83.47775	0.4
90.04707	1.3
91.05475	14.7
93.07044	1.8
95.04967	4.8
98.21490	0.8
103.05468	12.0
104.05808	0.5
105.03402	1.0
105.07024	100.0
106.06567	1.0
106.07359	2.9
107.04948	0.8
107.06054	0.4
107.08582	0.8
110.58535	0.4
112.02195	1.8
113.02943	1.0
115.05450	6.7
116.06256	0.5
117.07007	3.1
118.04153	5.9
118.07784	3.2
123.07915	2.7
126.03790	0.5
131.04930	1.3
131.08562	4.3
133.02838	1.1
133.06488	60.1
133.10118	25.1
134.05991	1.4
134.06877	2.1
134.10518	0.9
144.04716	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
50.40040	0.7
53.03947	4.4
53.72272	0.7
54.42620	0.6
55.01881	3.4
55.05507	1.0
56.96564	1.8
62.30738	0.6
65.03965	0.8
66.04725	1.6
67.05502	0.7
69.03411	0.8
69.86152	4.2
70.06592	0.8
71.04996	0.9
77.03934	1.0
79.05493	18.0
81.04565	0.7
87.09451	0.6
90.04675	3.0
91.05477	9.8
93.07037	0.9
95.04965	5.5
103.05467	15.1
105.03418	1.6
105.07030	100.0
106.06571	1.7
106.07373	4.3
107.04945	1.1
110.06055	0.8
112.02195	2.2
113.02991	0.7
115.05449	5.6
117.07008	0.8
118.04164	12.4
118.07826	1.0
123.07930	3.5
131.04912	1.4
131.08565	2.3
133.02866	1.5
133.06497	77.3
133.10106	10.4
134.06027	3.4
134.06808	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	132.0808
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
51.02373	1.1
53.03947	18.6
53.38219	0.8
55.01856	1.3
55.05494	1.2
56.05028	5.6
56.96561	5.3
57.03434	12.9
57.04546	3.2
58.02953	4.1
58.05335	6.4
58.06601	6.5
59.06116	3.1
60.04510	3.1
66.28467	0.8
68.05013	3.0
69.03426	4.8
69.04531	0.9
69.07060	1.4
70.06585	3.0
71.04988	14.6
71.06126	1.6
71.58274	1.3
72.04517	5.6
72.08151	6.1
72.93768	5.1
73.04040	2.5
74.02443	1.2
74.04818	1.3
74.06071	3.4
75.05594	12.8
76.03996	1.6
77.03918	3.0
79.05489	5.0
81.04533	1.9
84.04501	3.0
84.05614	1.2
85.04026	3.6
86.06065	5.6
86.09208	1.2
86.09705	17.0
87.04465	1.3
87.05579	4.1
88.03993	1.4
88.07628	1.3
89.07160	1.3
90.90368	6.7
90.94821	2.8
91.05510	5.7
91.05975	1.1
92.03488	1.2
92.07097	1.2
93.05759	1.1
95.04951	5.9
96.04474	2.6
97.02882	1.6
98.06042	0.8
100.04004	0.9
103.05466	3.9
103.70676	0.9
104.04983	7.7
105.03388	5.8
105.04527	1.9
105.07021	25.7
106.06546	1.0
108.95885	1.0
112.02204	2.0
113.02914	0.9
114.05527	3.3
115.05467	22.6
115.08673	1.0
116.05836	1.0
116.07069	1.0
117.05750	60.7
118.06090	2.4
123.07954	4.1
130.06525	7.6
131.07327	5.7
131.08588	0.7
132.04453	12.5
132.06601	12.3
132.08080	100.0
133.02869	4.4
133.05022	2.0
133.06404	7.5
133.07597	4.0
133.08542	5.5
133.10170	5.0
143.06059	1.2
144.04834	1.2
149.94128	0.8
150.96870	1.7
154.93701	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
56.05043	0.5
57.03435	2.4
65.03934	1.1
69.03427	0.7
70.03760	0.7
71.59363	0.7
85.04826	1.2
86.09692	1.2
90.04646	0.6
91.05481	100.0
92.05812	4.3
103.05460	5.8
105.07007	0.8
109.06542	0.6
113.07934	2.1
115.05453	7.1
116.06242	22.8
117.06540	0.9
128.06247	1.6
129.07004	15.6
130.07428	0.9
131.08566	78.3
132.06577	2.3
132.08055	1.4
132.08913	5.1
133.06465	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0445
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
51.02373	1.7
53.03944	9.4
54.03453	0.5
55.01859	1.4
56.05037	3.2
56.96558	3.4
57.03431	7.3
57.04547	1.2
58.02950	1.9
58.05344	2.5
58.06597	3.3
59.06120	1.4
60.04502	1.1
60.95860	0.5
68.05020	1.4
69.03418	2.3
69.04546	0.6
69.07066	1.2
69.57941	1.2
69.58344	2.8
70.06590	1.2
71.04984	3.5
71.06121	1.0
72.04505	2.3
72.08157	3.4
72.93776	1.9
73.04015	1.2
74.06073	1.2
75.05596	4.0
76.04006	1.1
77.03909	2.4
78.03469	0.5
79.05470	2.5
81.04539	0.8
84.04507	2.6
84.05621	1.3
85.04023	1.8
86.00644	0.6
86.06068	2.8
86.09702	7.4
87.04458	0.9
87.05591	3.3
87.09238	0.8
88.07652	0.8
90.90376	4.2
90.94801	1.3
91.05498	3.5
95.04960	10.9
96.04494	2.5
103.05470	1.5
104.04984	75.5
105.03402	2.8
105.04516	3.0
105.05325	2.1
105.07022	12.3
108.91405	0.8
112.02197	2.1
113.02966	1.7
114.05519	1.3
115.05025	0.6
115.08672	1.1
117.05785	1.3
117.07008	0.6
117.51724	0.5
123.07895	3.3
132.04442	100.0
132.06503	7.5
132.08005	1.6
133.02853	1.0
133.04828	3.7
133.06471	4.7
133.07584	1.6
133.10182	2.5
151.34741	0.5
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
53.03939	1.6
56.05022	2.8
56.96568	5.1
57.03433	7.6
58.02972	0.8
58.06589	0.9
65.03913	1.3
69.03400	3.7
70.03751	1.2
71.59154	1.1
73.02916	1.0
84.04477	2.6
85.04826	3.3
85.08445	2.7
86.06032	0.9
86.09698	3.4
90.90370	3.2
91.05474	100.0
92.05807	3.3
95.04951	1.3
103.05458	16.0
103.52036	0.9
104.04986	1.8
104.05734	1.3
105.06997	1.3
108.91416	0.9
113.07948	4.9
115.05441	9.4
116.06232	29.4
116.98560	1.8
117.06581	1.4
119.01786	1.3
128.06223	2.1
129.07002	16.5
131.04951	3.0
131.06010	2.4
131.06911	2.6
131.08554	92.3
132.04463	1.3
132.06557	6.2
132.08084	1.1
132.08891	7.2
133.06438	1.9
134.99692	1.5
138.95917	0.8
146.99658	0.8
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
51.02378	0.5
53.03944	1.9
56.05030	0.7
56.96556	2.6
57.03435	2.7
59.97225	0.4
64.83733	0.4
65.03940	1.0
68.05040	0.7
68.95282	1.0
69.03427	1.3
69.33473	3.2
69.33886	0.8
70.03767	1.3
73.02964	0.5
76.84767	0.4
84.04497	1.0
85.04868	0.6
85.08484	0.7
86.06072	0.5
86.09711	1.4
90.01544	0.6
90.90369	1.3
91.05476	100.0
92.05811	4.5
95.04956	3.0
98.21502	1.0
98.97585	0.8
101.45553	0.4
102.04682	0.5
103.05463	35.2
104.05813	2.3
105.07024	1.7
113.07937	5.1
115.05445	12.0
116.06239	35.5
117.05833	0.5
117.06495	2.1
128.06227	3.0
129.07001	16.5
131.04935	4.8
131.08556	53.4
132.04448	0.7
132.05579	0.4
132.06555	2.2
132.08911	3.3
133.06483	1.6
134.99649	1.0
143.06012	0.7
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
53.03941	1.3
56.05029	0.9
56.96572	1.0
57.03437	3.2
58.02963	0.9
61.92033	0.6
65.03941	1.8
69.03419	1.1
69.61704	4.7
70.03739	0.8
81.53540	0.5
84.04506	1.2
85.04826	1.0
85.08444	0.9
86.09701	1.1
91.05479	100.0
92.05816	3.7
95.04965	1.2
101.29864	0.6
103.05468	17.2
104.05007	0.8
104.05824	0.9
105.07048	0.8
113.07944	3.5
115.05468	6.9
116.06237	24.0
117.06538	1.0
128.06186	1.9
129.07004	16.2
130.07364	1.1
131.04889	3.3
131.08565	80.9
132.04480	1.0
132.06569	2.6
132.08055	1.5
132.08908	5.7
133.06511	1.3
141.83119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.7
53.03949	2.9
56.05026	0.7
56.96563	3.8
57.03428	3.8
61.02904	0.5
65.03937	1.2
68.95290	1.6
69.03426	2.4
69.11361	0.5
69.38618	4.7
70.03751	1.0
71.93025	0.5
73.02914	0.6
76.55914	0.5
81.03407	0.7
83.00774	0.5
84.04498	1.1
85.04818	1.2
85.08474	1.0
86.06064	0.7
86.09705	1.1
90.60037	0.5
90.90363	2.3
91.05476	100.0
92.05819	4.4
95.04971	3.5
96.04493	0.4
98.01282	0.7
98.97598	0.9
103.05461	50.7
104.05170	0.4
104.05778	2.2
105.07040	1.3
113.07930	3.7
115.02540	0.4
115.05448	11.0
116.06233	35.1
116.98582	0.7
117.06594	1.2
128.06216	2.1
129.07001	16.9
130.07260	1.0
131.04930	8.5
131.05949	1.1
131.08557	70.1
131.16205	0.5
132.04416	0.9
132.05505	0.9
132.06560	3.2
132.08002	1.1
132.08911	4.9
133.06464	1.3
134.99603	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
56.96558	1.3
57.03428	1.0
59.78171	0.3
62.79958	0.3
65.03930	1.4
66.92480	0.4
68.95285	0.6
69.03423	0.9
70.03768	0.3
71.43822	0.5
79.05480	0.4
81.03409	0.4
84.04482	0.4
85.08447	0.7
86.09705	0.6
88.71700	0.4
90.90398	0.8
91.05476	100.0
92.05813	3.9
95.04961	1.7
97.02876	0.4
99.20325	0.4
103.05463	16.2
104.05776	1.0
105.07021	1.5
113.07928	1.8
115.05442	11.3
115.06260	0.5
116.06237	34.0
116.98589	0.4
117.06519	1.9
128.06212	2.6
129.06009	0.6
129.06998	16.0
130.07327	1.1
131.04912	3.3
131.08559	56.4
132.05525	0.3
132.06615	0.9
132.08052	0.4
132.08914	3.7
133.06512	1.8
136.82178	0.3
143.06055	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1591
Annotation	Octylamine
Peak:m/z	Relative Intensity
53.00293	1.1
57.07072	85.8
58.07404	2.1
61.79306	0.8
69.03422	5.6
71.03880	2.0
71.04215	1.0
72.08141	2.4
74.09714	50.7
75.29060	1.0
75.95477	0.8
84.04501	12.1
84.08138	3.4
85.02909	1.3
91.05476	1.9
99.21254	0.9
99.73061	0.9
103.05428	2.0
112.07602	11.7
116.98615	0.9
130.04970	1.7
130.06534	3.5
130.08675	2.5
130.15909	100.0
131.08542	0.8
131.16228	5.2
135.41699	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.2
51.02375	0.5
53.03942	2.7
55.01876	0.2
55.60975	0.1
56.05039	0.1
56.96564	0.8
57.03428	0.5
68.95277	0.3
69.03424	0.4
71.42155	0.1
71.42493	0.2
77.00822	0.1
77.03916	0.6
81.03404	0.4
84.04494	0.2
85.02877	0.1
85.04832	0.2
86.09647	0.1
90.90399	0.2
91.05482	2.0
95.04964	7.3
96.05307	0.2
98.97566	0.2
102.04681	1.3
103.05461	100.0
104.05795	4.4
105.04503	1.3
113.07981	0.5
115.05476	0.2
116.06245	0.5
116.98607	0.2
118.06564	0.1
129.07001	0.3
131.04921	9.6
131.08546	1.7
132.05231	0.6
132.06549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.2
51.02366	0.4
52.34889	0.2
52.53330	0.2
53.03945	3.1
55.01872	0.3
56.05025	0.6
56.19236	0.3
56.96563	3.0
57.03436	1.7
58.02953	0.3
68.05045	0.3
68.95275	0.6
69.03432	1.0
70.03769	0.9
71.14847	0.5
72.04519	0.3
73.02928	0.5
73.14680	0.2
77.00797	0.3
77.03928	0.5
77.07746	0.2
81.03407	0.5
83.00790	0.4
84.04494	0.6
84.08125	0.4
85.02908	0.4
85.04832	0.8
85.08482	0.4
86.06052	0.4
86.09716	0.5
90.01579	0.4
90.90385	0.8
91.05477	7.4
92.01304	0.2
95.04965	8.0
95.81247	0.2
96.05285	0.2
98.97610	0.6
102.04691	1.1
103.05464	100.0
104.05070	0.3
104.05785	4.9
105.04527	1.7
110.01270	0.4
113.07925	2.5
115.05444	0.6
116.06245	2.1
116.48133	0.4
116.98627	0.6
122.98099	0.3
128.02306	0.3
129.07028	1.0
131.04924	13.7
131.05931	0.6
131.06946	0.5
131.08548	5.3
131.16229	0.3
132.04395	0.4
132.05307	0.6
132.06548	1.3
134.99644	0.8
144.08029	0.4
146.99597	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0499
Annotation	(R)-(+)-2-Pyrrolidone-5-carboxylic acid
Peak:m/z	Relative Intensity
55.01860	0.1
56.05033	6.5
56.96570	0.8
57.03434	0.4
57.05365	0.1
60.05648	0.1
66.62753	0.1
67.05486	0.2
69.03419	0.6
69.38326	0.5
69.38751	0.5
70.02945	0.2
70.06584	1.3
71.04990	0.1
73.02917	0.1
82.06573	0.3
84.04500	100.0
84.08133	16.6
85.02898	6.6
85.04288	0.2
85.04830	2.1
85.08482	0.4
85.51299	0.1
86.03220	0.2
87.04417	0.1
95.01308	0.7
97.02854	0.1
98.97559	0.3
101.00928	0.1
102.05534	2.0
110.01263	0.1
111.53821	0.1
112.03960	0.3
112.07616	0.6
116.36929	0.1
116.98618	0.2
119.01807	0.1
130.04993	10.2
130.08633	2.0
130.09605	0.2
131.05353	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0499
Annotation	(R)-(+)-2-Pyrrolidone-5-carboxylic acid
Peak:m/z	Relative Intensity
56.05035	5.1
57.03440	0.3
69.03423	1.4
70.54925	0.7
84.04500	100.0
84.08138	0.9
85.02418	0.5
85.02905	6.5
85.04822	2.5
90.25822	0.2
95.01325	1.0
97.61605	0.2
102.05529	1.8
107.36041	0.2
112.04022	0.2
112.07615	1.5
130.04994	10.4
131.05373	0.4
134.52652	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97815	0.2
53.00303	0.2
55.90711	0.2
56.05035	6.4
56.05461	0.3
56.96554	0.3
57.03434	0.4
69.03429	0.8
69.53876	1.1
69.54292	0.5
70.06585	0.9
71.04981	0.2
84.04503	100.0
84.08140	23.8
85.02900	6.2
85.04830	2.5
85.08464	0.5
87.04497	0.2
89.62635	0.2
95.01324	1.0
97.44460	0.2
102.05540	2.0
112.03976	0.3
112.07601	0.5
116.98579	0.2
130.05002	9.4
130.08636	2.4
131.05362	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99855	0.2
67.03239	0.1
71.01296	0.4
71.01657	0.2
82.01424	0.2
82.99832	0.8
83.01522	0.4
84.01195	0.3
100.02486	1.1
101.00869	11.8
101.02541	3.0
102.00934	0.7
102.02224	1.6
116.95844	0.1
118.03539	0.9
119.01909	100.0
119.03645	2.7
120.01983	5.1
120.03204	1.2
121.02355	0.3
124.02400	0.2
137.02942	48.5
138.03038	2.8
139.03387	0.3
142.03493	4.3
143.03641	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0393
Annotation	Isonicotinic acid
Peak:m/z	Relative Intensity
53.03929	0.8
68.05044	1.0
69.50713	1.4
69.51122	0.4
77.00895	0.5
78.03455	1.2
79.04225	0.3
80.05010	22.3
81.04539	0.2
81.05331	0.9
81.05767	0.2
96.04484	17.4
97.02882	0.4
97.04161	0.2
97.04818	0.6
98.21484	0.3
100.02509	0.2
101.00857	1.5
101.02587	0.4
102.02187	0.2
107.03247	0.5
110.04792	1.0
112.03968	0.5
118.03537	0.3
119.01910	12.8
119.03674	0.4
120.02010	0.9
122.96179	0.2
124.03943	100.0
125.02382	0.2
125.03455	0.2
125.04282	2.5
125.07110	0.9
137.02948	6.7
138.03062	0.3
140.03386	1.2
142.03473	0.8
143.78166	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12213	3.0
53.03949	6.0
55.01875	4.2
55.05503	8.7
55.93532	6.6
56.05025	9.4
56.96558	10.7
57.03437	6.1
58.06592	6.6
59.06126	6.7
59.98730	2.8
60.04523	4.8
68.01366	2.8
68.05017	6.4
69.03426	11.1
69.07073	3.3
69.72420	17.0
69.72830	3.9
70.06594	62.7
71.05005	6.5
81.03416	3.5
82.03745	6.4
82.06591	22.3
83.04989	7.2
83.06112	16.8
83.08624	3.1
83.45815	2.6
83.91693	2.6
84.04512	5.8
84.08145	6.9
84.10338	3.4
85.07675	9.4
86.00926	4.9
86.06081	7.0
86.99296	3.0
91.05489	4.8
93.53492	3.8
94.06546	4.1
100.02506	10.9
100.07626	11.2
101.00850	6.1
102.01674	2.9
103.02415	5.4
104.01968	21.0
105.00391	6.8
105.01026	4.3
105.02063	3.6
107.04974	3.5
110.03229	11.2
110.06039	10.3
110.07178	4.4
111.04451	9.3
111.05568	4.1
111.09209	100.0
111.09982	6.2
112.07619	3.4
112.09525	3.3
114.02494	4.0
118.03528	25.9
118.52374	4.4
119.01921	47.6
119.03632	3.7
120.03314	4.6
121.01706	4.8
122.02139	4.8
122.03013	20.1
123.02093	50.6
128.03416	6.3
128.04266	19.5
128.07104	21.8
128.08040	4.3
128.11838	6.0
128.95052	3.8
129.01862	13.3
129.05553	6.9
129.10234	3.9
136.04556	17.3
137.02983	25.0
139.02734	2.9
140.03050	5.2
141.03110	31.2
142.03459	4.5
145.03352	4.2
146.96162	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	130.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	6.4
56.96566	1.0
57.03433	0.5
66.35815	0.2
67.84248	0.2
69.03419	0.6
69.37477	1.3
69.37906	0.9
70.06594	0.9
71.81796	0.2
72.08150	0.2
84.04500	100.0
84.08137	23.0
85.02899	5.9
85.04825	1.7
85.08482	0.5
93.94680	0.2
95.01309	0.7
95.11200	0.2
98.97589	0.4
102.05532	1.8
112.03977	0.4
112.07584	0.7
116.98596	0.3
130.04991	9.8
130.08627	3.1
131.05322	0.2
149.68243	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.39427	1.5
53.03945	14.3
54.03460	4.5
55.01856	6.4
55.05502	10.5
56.05020	6.3
56.96559	4.6
61.54410	1.8
65.03932	4.9
65.41700	1.5
67.05502	63.6
68.05014	7.7
70.06558	1.5
70.46143	5.4
79.05486	39.5
80.05014	47.1
80.05800	3.8
81.03405	8.6
81.04534	5.0
81.07055	100.0
82.01425	9.2
82.06576	2.5
82.07388	3.0
83.06096	4.4
91.05466	5.8
93.07038	10.5
95.04971	65.7
95.05958	3.4
95.08601	47.6
96.04493	29.8
96.05159	3.3
96.05265	2.7
96.08141	3.0
97.07640	6.3
100.02479	81.6
101.02589	9.5
103.05431	4.0
104.05824	2.0
105.04543	3.4
105.07022	12.5
106.07351	4.4
107.06084	3.0
108.05717	7.2
108.07655	7.2
112.03960	23.7
118.03518	95.3
119.01909	16.9
119.03627	10.4
123.04399	11.9
123.05550	88.1
123.08095	71.4
123.09967	10.7
123.11662	9.3
124.03951	72.9
124.05900	4.0
124.07572	8.9
124.08679	16.9
127.02618	1.8
137.02953	14.5
140.03415	14.2
141.05106	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	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02373	1.3
53.03947	8.5
54.03454	2.4
54.23320	0.7
55.01862	2.3
55.05510	25.9
55.50299	0.7
56.05030	3.8
56.96568	0.7
57.07069	3.9
58.06596	1.0
64.00349	0.7
65.03944	4.6
66.03442	0.7
66.91851	0.6
67.05503	100.0
68.05025	5.2
68.05838	3.1
69.03411	2.0
69.04558	1.1
69.07059	2.5
70.06581	1.8
70.46236	0.7
71.08204	1.1
77.03922	1.9
79.05490	22.3
80.05017	15.7
80.05818	1.3
80.06271	2.9
81.03422	2.9
81.04554	6.6
81.05784	2.0
81.07056	67.0
82.04860	0.9
82.05334	1.0
82.06580	3.1
82.07366	1.3
83.06107	7.0
91.05475	3.9
93.07043	19.0
94.07358	0.9
95.04967	37.2
95.06074	1.6
95.08604	98.3
96.04491	10.0
96.05275	1.6
96.08147	4.4
96.08913	3.8
97.07647	5.7
100.02489	10.4
101.00897	1.6
103.05462	1.7
105.04512	1.9
105.07026	11.5
106.06612	1.4
106.07354	3.1
107.04987	4.6
107.06071	7.6
108.05730	24.6
108.07648	5.7
112.04016	3.9
118.03523	11.1
119.01920	7.3
119.03626	1.2
121.06517	3.9
121.10107	1.1
123.04443	8.2
123.05558	20.5
123.08086	57.5
123.09933	6.1
123.11700	17.3
124.03952	14.9
124.05898	1.6
124.07594	6.6
124.08674	11.5
125.69875	0.7
137.02922	4.1
140.03404	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01588	1.6
51.02383	4.1
53.03945	8.9
54.03472	2.9
55.01867	3.0
55.02997	0.4
55.05509	1.5
56.05035	4.8
56.96567	3.8
58.06610	0.8
65.03948	3.0
66.03459	0.6
67.02980	0.8
67.04237	1.2
67.05505	17.2
68.05031	7.9
68.05827	0.6
68.99789	1.0
69.04550	1.6
70.06580	1.3
71.39429	0.9
77.00917	0.5
77.03930	11.0
78.03448	1.5
78.04709	0.5
78.56783	0.4
79.05498	5.4
80.05016	41.1
81.03429	2.6
81.04544	6.1
81.05337	0.8
81.05789	0.8
81.07060	6.2
82.01439	1.5
82.02948	0.5
82.05326	1.4
82.06587	1.6
83.05660	0.9
83.06100	9.3
84.06887	0.5
91.05466	0.5
93.07060	0.7
94.06586	0.9
95.04967	64.2
95.06076	4.9
95.08603	2.3
96.04494	20.0
96.05253	1.4
96.06404	0.7
96.08129	1.3
97.07652	4.8
99.02812	0.6
100.02477	13.9
101.00887	1.9
101.02586	1.3
103.05486	0.8
105.03395	14.2
105.04475	5.3
105.07035	0.6
106.02921	1.8
106.03648	0.4
106.06552	4.7
107.04955	0.9
107.06075	6.7
108.05735	0.9
112.03970	4.7
114.05537	0.6
118.03516	16.4
119.01918	33.8
119.03642	1.3
120.08092	0.8
123.04440	100.0
123.05547	60.6
123.06321	2.0
123.07400	1.7
123.08079	3.0
123.09182	3.7
123.10000	0.9
124.03958	22.1
124.04800	3.3
124.05894	0.8
124.07603	4.7
124.08714	9.9
136.04565	0.7
137.02950	27.3
140.03439	1.7
142.03494	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01587	0.7
51.02382	1.3
51.03242	0.7
53.03944	11.7
54.03466	10.6
55.01856	2.2
55.05510	3.7
56.96560	2.8
57.03423	0.9
58.02961	1.5
65.03939	6.9
66.03456	1.0
67.02996	1.1
67.05492	5.0
68.05022	1.6
70.06583	2.8
71.09652	1.1
71.09991	1.7
77.03931	1.6
77.05450	0.8
78.04726	1.1
79.05486	48.1
80.05002	2.0
80.05815	1.1
81.03418	2.1
81.04533	27.5
81.05785	0.8
81.07058	1.2
81.11822	0.6
82.05317	22.1
84.72693	0.7
91.05476	38.6
92.01301	0.8
92.05787	1.4
93.03377	1.1
93.04520	1.7
93.07037	57.3
94.06557	5.6
94.07375	2.1
95.04966	27.4
95.06058	9.2
95.24593	0.7
99.41411	0.9
103.05463	20.7
104.05754	1.7
105.03414	0.9
105.04534	5.9
105.07023	78.6
106.06548	1.7
106.07247	1.9
106.07919	5.1
107.04871	1.8
107.07332	36.5
111.04424	1.7
112.03920	1.0
119.08575	10.2
120.05623	1.3
120.08055	1.6
121.02878	7.6
121.03934	3.5
121.05173	1.0
121.06491	21.0
121.07603	3.3
121.08335	1.0
121.10137	34.0
122.06081	5.7
122.07143	100.0
122.09655	40.5
122.10470	2.3
123.08029	8.3
129.97360	0.8
133.07573	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	122.0966
Annotation	N,N-Dimethylaniline
Peak:m/z	Relative Intensity
52.96967	0.6
53.03944	1.7
54.03475	7.4
54.65223	0.5
55.05513	0.8
56.05033	0.6
56.96565	1.0
61.13807	0.5
65.03968	0.6
67.02985	1.4
67.05205	0.4
67.05508	3.3
68.05042	3.3
70.06596	0.9
70.36285	2.1
72.86060	0.5
77.03930	0.5
78.03465	0.5
79.02997	0.6
79.05495	5.9
80.05024	4.5
81.03428	0.8
81.04539	12.5
81.07062	4.2
82.01437	0.8
82.05325	15.1
82.06570	0.6
93.05781	0.9
94.06576	8.4
94.07239	0.7
94.07351	0.6
95.04980	8.6
95.06091	10.0
95.08628	1.9
96.04507	1.9
97.07595	0.6
100.02490	6.6
103.05449	2.8
104.05798	0.5
105.04535	2.9
105.07030	14.7
106.06564	2.9
106.07312	0.7
107.04852	1.2
107.07339	62.4
108.05750	0.6
108.07678	1.5
118.03522	6.0
122.06137	2.3
122.07162	47.6
122.09667	100.0
123.04442	2.4
123.05561	7.6
123.07384	1.0
123.08066	2.3
123.09171	0.8
123.09975	4.1
144.50970	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99860	0.9
69.72751	1.7
77.00911	0.6
82.01438	7.7
82.99819	0.6
83.01579	0.3
84.98442	0.4
98.21447	0.3
100.02477	48.6
101.00874	17.0
101.02544	1.8
101.72230	0.3
118.03516	36.1
119.01913	100.0
121.02349	0.4
123.04071	0.7
124.70808	0.4
127.81898	0.4
136.04547	1.3
137.02948	43.1
141.05064	0.6
142.03505	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	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02367	1.0
53.03945	8.5
54.03466	11.4
55.01863	1.4
55.05497	2.8
56.05017	1.0
56.96561	2.7
58.02949	1.7
64.50408	0.7
65.03931	6.0
67.02983	1.3
67.05493	3.5
68.05023	2.7
69.04503	1.1
70.06579	3.3
71.58884	0.8
71.59227	1.1
77.03883	1.0
78.04710	1.2
79.05488	41.5
80.05017	1.9
80.05812	1.0
81.03412	0.9
81.04533	25.3
81.07055	1.0
82.05313	19.5
90.68391	0.7
91.04891	1.5
91.05469	28.2
92.01270	0.7
92.05805	2.2
93.04504	1.3
93.07037	36.4
94.04156	1.1
94.06555	4.6
94.07360	1.2
95.04961	21.6
95.06077	9.3
96.04507	0.8
103.05464	25.5
104.05775	1.4
105.04534	7.7
105.07021	85.7
106.06528	2.7
106.07252	2.1
106.07928	5.2
107.04951	8.7
107.07328	40.6
111.04439	2.6
119.08555	9.3
120.05613	1.5
120.08131	0.9
121.02877	5.7
121.04015	3.9
121.05122	1.2
121.06488	22.0
121.07598	3.5
121.10137	35.9
122.06075	6.6
122.07146	100.0
122.09652	44.4
122.10439	2.5
123.08068	9.7
133.07605	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.4
53.03945	9.1
54.03468	9.7
55.01855	1.6
55.05489	2.2
56.05013	0.8
56.71973	0.6
56.96545	2.4
57.02353	0.6
57.74163	0.7
58.02921	0.8
58.14812	0.7
65.03931	5.2
66.03465	0.8
67.02959	1.5
67.05505	3.8
68.05010	2.1
70.06572	2.7
71.59811	1.3
74.77219	0.6
77.03891	2.2
78.04681	1.3
79.05491	47.1
80.05006	2.7
80.05806	1.4
80.06255	0.9
81.03412	1.9
81.04083	1.2
81.04539	19.5
81.07071	1.2
82.04843	1.1
82.05318	19.5
91.05477	31.2
92.05801	1.0
93.04519	0.9
93.07041	34.4
94.06561	4.8
94.07377	1.7
95.04966	23.6
95.06060	9.1
96.05292	1.4
102.24305	0.8
103.05468	24.5
104.05733	1.2
105.03412	0.9
105.04528	6.3
105.07027	100.0
106.06549	2.9
106.07254	2.1
106.07809	4.6
107.04950	18.1
107.07334	37.7
111.04409	1.1
119.08587	10.4
120.05607	0.9
120.08975	0.9
121.02927	3.7
121.03990	2.5
121.06511	29.1
121.07610	2.9
121.09459	0.7
121.10139	50.0
122.06094	5.7
122.07156	87.1
122.09659	47.2
122.10394	2.6
123.08064	12.7
124.08397	0.8
133.07610	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	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01602	0.8
51.02372	3.4
53.03944	23.2
54.04283	0.7
55.01860	2.8
56.96570	3.1
60.08781	0.4
65.03932	2.1
67.05506	1.3
68.99797	0.5
69.65446	3.1
77.03935	4.8
78.04707	0.7
79.05506	0.7
80.05021	0.5
80.93197	0.8
81.03423	2.6
81.04538	1.5
81.05802	1.2
82.05301	0.7
88.99152	0.4
91.05476	74.0
92.05790	2.6
93.07037	62.9
94.04185	0.6
94.06567	2.0
94.07364	2.1
95.04961	55.9
96.05306	1.5
98.97576	0.9
102.04707	2.1
103.05461	100.0
104.05798	3.7
105.04501	11.2
109.65077	0.4
116.98589	0.7
119.01867	0.9
119.04981	0.6
121.06496	90.3
122.06018	1.0
122.06942	3.3
134.99742	0.5
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	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.69842	0.6
53.03945	3.1
56.96574	0.9
59.06118	2.4
65.03940	6.3
70.95345	1.7
78.04706	1.8
78.93111	0.9
79.05494	7.7
84.01685	1.4
91.05478	100.0
92.05010	1.9
92.05797	3.4
93.07050	5.3
95.04945	6.5
102.05528	1.1
102.35595	0.7
103.05466	14.5
104.06256	12.4
105.04540	1.0
109.06553	1.2
113.84349	0.7
115.05466	6.3
117.07017	26.8
117.07851	1.3
118.07399	0.9
119.04913	3.4
119.06103	2.1
119.08577	88.0
120.04481	1.2
120.05576	3.2
120.08164	1.4
120.08937	3.2
121.06468	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03955	1.6
54.04280	0.5
54.29949	0.4
62.57361	0.4
65.03944	3.0
65.06824	0.4
67.05509	0.5
68.06670	0.3
70.00565	1.7
72.04527	0.4
78.04723	1.2
79.05497	3.8
84.01651	0.6
91.05481	100.0
92.05827	3.2
93.07076	2.4
94.48442	0.4
95.04979	3.1
96.05306	1.1
98.20804	0.4
102.05545	0.4
103.05462	5.9
104.06248	8.7
109.06542	0.6
115.05443	3.6
117.07022	13.1
119.06146	0.8
119.06852	1.5
119.08581	44.5
120.04479	0.5
120.05585	0.7
120.08897	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.66298	0.4
52.39999	0.4
53.03945	2.4
56.96563	0.4
59.06131	3.8
60.04507	0.6
63.30517	0.4
65.03939	4.3
65.60989	0.5
65.99714	0.4
67.05504	0.9
71.35902	0.5
71.36244	0.6
74.06065	0.6
77.03929	0.8
78.04716	1.6
79.05490	9.3
84.01711	0.7
84.95432	0.4
87.05585	0.9
91.05479	96.1
92.05820	3.1
93.07030	6.7
95.04970	4.8
96.05284	0.4
96.97271	0.4
102.04648	0.6
102.05537	0.5
103.05469	14.8
104.05611	0.8
104.06255	13.6
105.04509	0.7
109.06541	0.9
115.05462	6.1
117.07018	21.2
117.28176	0.4
119.08578	100.0
120.05597	0.9
120.08083	2.5
120.08916	3.6
121.06495	0.5
121.98388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
52.01890	0.4
53.03924	0.5
55.05499	1.0
56.05029	1.7
56.96556	1.2
58.06590	0.5
59.06123	19.9
60.04524	5.9
61.02912	1.3
61.94156	0.3
62.06090	0.4
63.02377	0.4
64.87350	0.3
65.03939	20.0
69.70539	1.4
69.70950	0.6
72.04512	0.6
72.06897	0.4
73.04856	0.4
74.02425	0.4
74.06072	2.1
76.93369	0.6
77.03531	0.4
77.93403	0.5
78.93119	1.1
79.05492	1.4
84.01679	2.2
84.04484	0.6
85.07666	0.3
87.05594	3.2
91.05477	100.0
92.04984	2.8
92.05810	3.5
93.04532	0.8
93.07024	1.7
95.04946	1.2
96.05317	0.6
96.94154	0.6
98.20735	0.3
101.07122	0.9
102.05533	2.9
103.05460	6.0
104.06229	0.4
109.06552	0.4
115.05419	0.6
117.07006	1.8
119.04945	27.4
119.06052	3.9
119.06841	0.7
119.08599	6.1
120.04469	1.8
120.05598	5.4
120.06544	0.5
120.08099	7.0
120.08916	0.7
137.96783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
51.47913	0.3
53.03947	1.9
54.04272	0.5
54.06851	0.3
56.05027	0.4
56.32484	0.3
56.96566	0.6
59.06121	4.1
65.03935	6.7
67.88923	0.3
69.36940	3.4
71.38178	0.3
72.68279	0.3
74.06072	1.1
77.03516	1.1
77.03918	0.6
78.04703	0.8
78.93135	0.5
79.05490	5.5
79.68498	0.4
84.01667	1.5
87.05578	1.0
91.05473	100.0
92.05007	1.8
92.05804	3.3
93.04540	0.6
93.07034	3.0
95.04959	3.5
96.04494	0.4
96.05305	1.4
101.04309	0.6
102.05540	1.7
103.05465	8.7
104.06240	5.2
105.04488	0.6
109.06480	0.8
115.05447	3.5
117.07005	13.2
118.06541	0.3
118.07320	0.6
119.04955	4.1
119.06142	3.3
119.06835	1.5
119.08569	43.3
120.04591	1.6
120.05599	3.6
120.08093	3.0
120.08919	1.7
121.06490	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30212	2.7
53.03938	4.5
55.01865	4.1
56.96561	6.2
58.99853	3.9
59.06117	11.8
59.52176	4.6
60.04514	3.9
67.05502	14.7
69.03075	4.6
69.03426	80.0
70.03732	3.1
71.02965	7.0
71.35965	5.8
77.00896	5.2
78.52974	7.0
79.02999	3.0
79.05501	3.0
80.06257	3.4
82.01429	17.5
84.52960	4.7
87.53474	17.2
88.03501	3.5
91.05463	14.5
93.07024	3.2
93.53457	16.6
94.53343	3.2
97.42964	3.1
98.20808	3.3
100.02477	100.0
101.00862	6.4
101.02563	14.7
102.54013	4.2
102.96244	3.0
103.02448	16.3
107.05254	11.3
107.53199	7.6
115.02415	4.4
116.05779	10.4
116.55849	5.1
118.03512	76.1
119.01918	95.4
119.03614	11.9
120.01980	5.1
120.03240	4.5
121.03503	16.5
123.03209	4.2
129.03983	5.1
133.03459	13.9
137.02931	58.9
138.02954	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	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
52.73271	0.4
53.03936	1.1
55.01852	0.4
56.02192	0.7
56.05030	0.8
56.96555	0.7
58.39401	0.4
59.06121	8.5
60.04513	1.0
65.03935	15.7
66.04275	0.4
70.08076	1.9
72.04497	0.6
73.04859	0.8
74.06077	1.4
77.03523	0.6
78.93130	0.7
79.05499	1.8
84.01674	2.5
87.05592	2.0
89.73241	0.4
91.05473	100.0
92.04984	2.1
92.05814	3.4
93.04527	0.7
93.07047	1.8
95.04951	1.3
96.04533	0.4
96.05308	0.6
98.20763	0.5
102.05531	1.4
103.05457	5.2
104.06232	2.2
110.06003	0.4
111.04393	0.5
115.05457	1.3
117.07008	4.3
119.04935	22.9
119.06123	3.2
119.06852	1.1
119.08566	13.6
120.04454	1.4
120.05547	3.8
120.08102	4.8
120.08903	0.8
120.63402	0.3
135.58109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
51.47199	0.7
53.03932	2.2
54.03466	0.9
55.01618	1.1
55.01871	14.7
55.02131	0.6
55.05497	1.9
56.05038	5.2
56.96566	3.7
57.04542	0.8
58.02959	3.9
58.06588	5.0
59.06123	15.3
59.07370	1.2
59.93085	2.0
60.04527	7.2
60.06441	1.9
61.02930	0.9
62.00666	0.7
65.03931	2.5
70.06563	0.7
71.04247	1.4
72.04514	26.8
72.08155	9.4
73.02900	2.1
73.08456	0.9
74.02435	4.4
74.06063	2.8
75.02682	0.6
75.05601	2.5
76.03973	1.0
76.05924	1.1
76.93370	15.1
79.05458	0.8
82.02934	9.8
83.01339	76.2
84.01664	1.6
84.04491	0.8
87.05586	1.3
90.03767	1.7
91.05477	58.9
92.05779	1.1
94.94400	7.1
95.04965	6.2
98.60844	0.7
100.03983	14.6
100.07587	1.2
101.02370	0.9
101.04273	0.9
101.07149	1.1
102.05524	1.5
104.77538	0.6
105.04533	0.7
112.95429	3.1
117.05754	6.4
117.95959	1.5
118.05013	4.0
118.06532	100.0
118.08657	3.1
118.96733	0.9
119.04913	0.8
119.06051	3.0
119.06877	4.3
119.08624	3.2
127.99872	0.6
135.74629	0.6
135.87370	0.6
135.97014	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0865
Annotation	L-Valine
Peak:m/z	Relative Intensity
55.01871	1.0
55.05513	18.8
57.05813	1.2
58.06590	3.3
59.06113	2.1
59.07376	1.7
69.03441	0.7
70.40332	0.7
71.04991	11.5
71.10490	2.1
72.04520	2.8
72.08154	100.0
73.08496	1.4
74.02440	19.3
76.93364	1.1
78.68195	0.7
82.02940	0.8
82.06598	0.7
83.01344	3.8
91.05475	1.4
100.03985	1.8
100.07633	3.6
102.05563	1.4
118.08642	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	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
50.01571	1.4
51.02373	6.2
53.03946	48.2
55.01868	14.9
58.06573	1.5
59.07381	2.5
59.93110	1.4
60.02126	1.2
69.46139	12.3
72.04520	18.0
72.08158	3.8
76.93364	5.6
77.03934	6.5
79.05511	2.7
81.03410	3.7
82.02936	9.4
83.01341	69.2
86.82770	1.5
90.65707	1.4
91.05480	38.1
92.05790	1.7
94.94357	2.2
95.04968	100.0
98.21476	2.3
100.03979	9.1
104.06229	2.5
105.04514	18.6
116.05819	3.2
117.07024	6.2
118.05026	4.0
118.06543	77.5
118.07288	4.2
118.08626	4.8
119.06077	3.1
119.06876	3.7
119.08575	13.9
128.26602	1.5
136.80956	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
50.01585	1.5
51.02384	5.2
53.03946	42.8
54.04282	1.2
55.01872	12.6
56.81665	0.9
58.06606	1.0
65.03933	1.1
72.04514	10.0
72.08147	3.2
73.02900	1.1
74.02438	1.6
76.93370	2.9
77.03924	7.0
79.05499	0.8
79.44456	0.8
81.03403	3.9
82.02527	0.9
82.02927	5.7
83.01342	44.4
84.01683	1.4
91.05478	34.2
92.05820	2.2
94.94418	1.4
95.04968	100.0
96.05296	3.3
100.03986	5.3
103.05454	1.9
104.06247	2.6
105.04514	18.8
115.05497	1.1
116.05792	3.6
117.07033	6.0
118.05156	1.8
118.06544	71.3
118.07320	3.8
118.08693	2.0
119.06116	1.7
119.06890	3.2
119.08578	13.9
119.09352	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
50.01586	1.7
51.02370	5.4
53.03707	2.7
53.03946	47.4
55.01622	1.7
55.01871	22.0
55.05492	1.9
58.06591	7.9
59.07376	8.5
65.03912	2.2
69.33865	12.9
72.04510	26.4
72.08147	5.6
74.02431	3.3
74.09689	1.6
76.93354	2.2
77.03532	1.5
77.03906	8.4
79.05489	1.5
81.03408	3.9
82.02940	12.4
83.01339	99.7
84.01682	1.5
91.05479	46.6
92.05814	1.7
93.07044	1.3
95.04965	100.0
95.61613	1.3
96.05295	2.9
100.03980	15.8
103.05445	2.1
104.06219	4.1
105.04506	17.5
116.05785	3.1
117.07017	4.6
118.05038	6.6
118.06534	75.3
118.07251	2.8
118.08646	24.4
119.06065	3.3
119.06840	2.5
119.08558	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	118.0654
Annotation	3H-Indole
Peak:m/z	Relative Intensity
50.01598	0.9
51.02367	2.9
51.37466	0.8
53.03702	1.1
53.03946	22.3
55.01872	15.1
56.96552	1.3
65.03928	2.9
66.23955	0.8
70.89146	2.0
71.48561	0.9
72.04514	15.1
72.08144	3.2
74.02414	1.7
74.21560	1.0
76.93371	9.0
77.03911	4.3
79.05467	3.9
81.03394	2.0
82.02952	7.1
83.01340	57.1
91.05479	100.0
93.07039	3.0
94.94396	3.8
95.04964	49.3
96.05347	1.1
100.03983	7.1
102.05541	1.8
103.05466	5.9
104.06240	6.9
105.04511	10.3
109.06504	1.0
115.05447	3.5
116.05813	1.2
117.07023	14.4
118.05037	3.4
118.06538	35.4
118.08681	1.5
119.06049	2.8
119.06806	1.3
119.08578	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
50.01595	2.1
51.02384	6.0
53.03944	46.8
53.04199	2.3
54.04284	1.1
55.01871	12.3
58.88757	0.8
59.93112	1.7
64.28985	1.0
65.03932	1.0
70.65942	3.1
71.19753	0.9
72.04513	12.1
72.08155	2.9
74.02432	1.4
76.93368	9.2
77.03922	7.4
79.05490	1.0
81.03416	3.8
82.02932	7.0
83.01335	52.3
84.01702	1.1
84.25062	1.1
91.05474	34.4
92.05804	4.6
94.94415	1.8
95.04963	100.0
96.05293	3.6
100.03986	6.7
103.05450	2.0
104.06236	1.5
105.04507	21.2
112.12408	1.0
115.05384	1.0
116.05779	13.0
117.07045	6.1
117.95908	1.4
118.05157	2.4
118.06553	76.7
118.07361	16.7
119.06113	1.4
119.06891	2.9
119.08571	11.9
127.66855	1.0
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
50.01597	1.9
51.02382	6.0
53.03951	49.3
55.01882	10.0
58.06582	1.4
59.06108	1.8
61.36009	1.1
65.03950	2.6
69.77551	6.8
72.04519	10.0
72.08150	1.8
74.02415	1.6
74.09747	1.4
76.93404	5.5
76.93749	1.1
77.03925	6.8
79.05477	2.9
81.03434	5.2
82.02927	3.4
83.01346	40.0
84.01675	1.3
91.05484	40.8
93.07037	2.0
94.94391	1.7
95.04971	100.0
96.05296	2.3
98.21439	2.1
100.03967	5.9
103.05465	3.5
104.06231	3.6
105.04524	20.7
115.05453	3.8
116.05782	3.4
117.07027	12.8
118.06545	73.0
118.08670	1.9
119.06093	1.1
119.06881	2.5
119.08585	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	118.05
Annotation	Aspartate semialdehyde
Peak:m/z	Relative Intensity
54.03470	0.5
55.01861	1.1
55.03801	0.3
55.05509	1.0
56.96557	0.8
58.06596	0.7
59.05001	0.5
59.07370	0.4
65.03942	0.3
69.03439	0.4
70.06581	0.6
70.81562	0.3
71.04985	1.2
71.58170	0.5
72.04141	0.6
72.04514	7.3
72.08153	4.5
73.02912	0.4
74.02438	100.0
75.02765	0.7
76.93376	0.8
82.02940	0.5
83.01339	5.3
83.03270	0.7
84.04549	0.3
87.41511	0.2
91.05473	3.6
100.02502	0.7
100.03980	1.3
100.05900	0.3
101.06050	0.3
102.05527	2.2
118.03522	0.7
118.05020	0.6
118.06525	0.9
118.08696	1.0
119.01954	0.6
119.04969	0.5
126.62412	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
50.01590	1.6
51.02375	7.4
53.03945	46.7
55.01870	12.9
56.05013	1.1
58.06594	1.1
59.06124	4.6
59.07372	0.9
59.93086	0.9
65.03926	2.3
69.56991	4.6
69.57403	1.5
72.04508	14.7
72.08131	4.2
74.02419	3.3
76.93364	8.9
77.03523	1.1
77.03924	8.6
79.05470	1.4
81.03417	5.1
82.02937	6.4
83.01338	54.6
84.01677	1.6
91.05476	38.7
93.07027	0.9
94.94394	2.9
95.04964	100.0
96.05297	3.3
96.95448	0.8
98.20757	1.8
100.03974	8.3
102.05492	1.1
103.05437	3.5
104.06255	3.9
105.04511	21.3
112.95475	1.0
115.05415	1.2
116.05757	1.2
117.07014	10.1
117.96110	0.9
118.05092	2.5
118.06535	70.5
118.08653	2.9
119.04924	2.2
119.06032	2.1
119.06860	3.0
119.08577	20.7
119.09350	0.7
129.79257	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0501
Annotation	Aspartate semialdehyde
Peak:m/z	Relative Intensity
54.03460	0.7
55.01868	0.8
55.03819	0.4
55.05505	0.6
57.03576	0.3
58.06596	1.4
59.00314	0.3
59.06121	0.7
60.04519	0.4
70.19444	1.4
72.04517	6.8
72.08147	1.1
73.02925	0.4
74.02440	100.0
75.02774	1.0
76.93364	0.6
82.02940	0.4
83.01337	3.3
83.03270	0.9
83.04966	0.6
91.05478	0.9
94.94433	0.3
97.16797	0.3
100.03992	0.7
100.05901	0.4
118.05038	0.6
118.08762	0.4
119.03588	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0549
Annotation	LEVULINIC ACID
Peak:m/z	Relative Intensity
53.03946	8.7
54.03469	2.4
54.62427	0.7
55.01874	3.2
55.05509	100.0
56.01383	0.7
56.05035	4.6
56.05836	2.3
56.73124	0.7
56.96566	10.4
57.03435	4.3
58.01629	0.7
58.02964	3.1
58.06598	8.6
59.04998	3.2
59.05819	1.8
59.06120	37.6
60.04524	5.9
60.95858	0.9
61.02928	0.9
68.64156	0.8
69.03423	10.5
69.62449	0.6
70.06581	5.0
70.09550	3.0
70.09962	1.3
71.04987	11.0
71.06111	1.5
71.06944	2.5
71.95269	1.1
72.04525	5.8
72.08152	18.4
74.02436	13.6
74.06116	1.8
75.05598	8.8
76.04022	2.1
76.07630	9.7
76.93357	5.0
78.60976	0.7
81.03426	3.2
82.02932	4.0
82.06570	0.9
83.01339	13.6
84.04514	1.2
87.04460	7.2
87.09238	1.0
88.07631	6.7
91.05480	2.0
93.32298	0.7
94.94415	1.5
95.04985	2.6
98.97574	7.7
99.04452	9.0
99.05605	3.0
99.09177	0.9
100.03997	2.5
100.07606	9.9
115.05492	1.7
116.98605	9.8
116.99303	0.8
117.05486	22.6
117.06635	2.6
117.10263	10.9
118.03513	1.1
118.05041	1.0
118.06545	3.4
118.08689	3.6
119.35042	0.8
134.99637	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	118.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03453	0.4
55.01864	1.2
55.03805	0.4
55.05507	1.2
56.96554	1.2
57.85459	0.2
58.06601	0.8
59.06108	0.4
59.07374	0.6
65.03937	0.9
67.05500	0.3
69.03436	0.7
70.06593	0.8
70.98928	0.8
71.04988	1.2
72.04515	7.9
72.08150	4.6
73.02922	0.4
74.02438	100.0
75.02766	0.9
76.93362	0.8
77.01387	0.3
81.03433	0.3
82.02956	0.8
83.01341	6.1
83.03274	0.7
83.04957	0.6
87.53448	0.3
88.07623	0.3
91.05478	5.4
91.06012	0.5
95.04967	0.3
100.02477	0.8
100.03983	1.0
100.05920	0.5
100.07610	0.6
101.02399	0.3
101.06010	0.5
102.05526	1.5
111.48992	0.3
116.98605	0.3
118.03526	0.8
118.05015	0.8
118.06555	1.2
118.08666	0.8
119.01929	0.9
119.04960	1.0
119.51128	0.3
137.02963	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64423	1.1
53.00301	2.3
54.03476	9.9
55.01875	5.3
55.05506	9.6
55.93513	1.1
56.05022	4.4
56.96556	2.8
57.03432	3.4
57.07073	73.7
58.06598	5.8
58.07409	1.0
59.06105	1.0
60.04524	8.5
63.98626	1.0
65.03941	9.6
67.01847	3.5
67.02992	2.8
67.05502	100.0
68.05029	9.6
68.05821	1.6
69.03417	2.1
69.04552	1.3
69.07049	4.1
70.02953	5.2
70.06594	15.4
71.04989	18.3
71.06071	1.0
71.58674	1.7
71.94102	8.2
71.95261	1.6
72.04510	6.3
72.08154	1.7
72.93786	90.9
73.05297	3.7
74.04820	13.8
79.05484	2.8
81.04533	1.7
83.04936	1.1
83.06104	10.1
84.04492	1.7
85.06540	25.9
85.07660	4.0
86.06046	6.2
87.05624	1.4
90.94824	29.3
95.01319	3.0
95.04967	32.1
95.06060	9.0
95.08595	1.4
96.00861	3.4
96.04488	4.5
96.05264	1.0
96.06881	3.4
96.08121	9.2
97.02850	1.4
108.95876	12.1
113.00084	1.4
113.02366	46.1
113.03471	7.6
113.06000	20.7
113.07129	15.1
113.09033	2.4
113.10762	5.0
113.96392	5.3
114.02719	1.3
114.05547	3.4
114.06686	5.7
114.09173	10.8
114.10292	2.2
120.83433	1.0
129.00546	1.1
131.97414	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	114.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.0
54.03469	70.6
55.01617	1.5
55.01867	19.6
55.03798	1.7
55.05498	2.9
56.05033	7.0
56.96559	16.6
57.03434	9.2
58.02948	1.3
58.06580	3.1
58.99856	3.1
59.05000	15.7
66.67986	1.1
67.05508	1.9
68.05022	19.7
69.03037	0.7
69.03422	17.6
69.07062	11.8
69.50993	4.6
69.51421	3.6
70.02929	2.5
70.06591	9.8
71.01346	2.1
71.03735	1.1
71.04978	3.0
71.06911	1.0
71.94099	1.8
72.04502	4.2
72.08143	3.0
72.93784	100.0
72.96024	1.2
73.02908	6.8
73.07645	1.0
74.04813	1.4
74.06062	2.6
74.97621	1.1
77.00894	5.9
78.52942	1.6
79.00648	0.9
79.05488	5.9
81.01869	1.3
81.05761	1.4
82.01472	1.3
82.02943	42.4
82.88776	1.0
83.00815	0.9
83.01334	1.8
83.03250	1.2
83.97633	1.6
84.04505	1.0
84.08142	1.7
85.02914	5.1
86.06062	31.0
86.09698	7.2
87.00801	1.6
87.04472	10.3
87.09213	1.1
88.02693	5.0
89.00818	1.5
90.94820	35.8
91.01570	1.0
95.01947	3.5
96.04488	10.1
96.08139	7.8
97.02883	8.3
97.06512	3.0
97.07659	2.3
98.06045	0.9
99.04475	0.9
100.01066	1.0
100.02480	28.0
101.00880	2.1
101.02565	1.6
102.02308	1.9
103.02383	2.4
105.00366	2.6
108.95861	14.5
111.02922	4.5
111.53104	1.1
113.96420	4.8
114.02721	2.8
114.05523	35.6
114.09160	38.1
115.02323	1.0
115.03920	11.9
115.04697	1.3
115.05067	1.4
115.08717	1.6
115.09473	1.6
118.03516	32.2
119.01917	25.2
119.03633	3.7
120.01986	2.2
120.03413	3.7
121.01666	3.6
121.03486	1.8
123.01411	1.4
131.01904	13.0
131.97415	7.0
131.99614	1.2
132.01979	1.9
132.05049	1.3
133.01678	2.7
133.03432	5.2
134.03598	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.0
54.03469	70.6
55.01617	1.5
55.01867	19.6
55.03798	1.7
55.05498	2.9
56.05033	7.0
56.96559	16.6
57.03434	9.2
58.02948	1.3
58.06580	3.1
58.99856	3.1
59.05000	15.7
66.67986	1.1
67.05508	1.9
68.05022	19.7
69.03037	0.7
69.03422	17.6
69.07062	11.8
69.50993	4.6
69.51421	3.6
70.02929	2.5
70.06591	9.8
71.01346	2.1
71.03735	1.1
71.04978	3.0
71.06911	1.0
71.94099	1.8
72.04502	4.2
72.08143	3.0
72.93784	100.0
72.96024	1.2
73.02908	6.8
73.07645	1.0
74.04813	1.4
74.06062	2.6
74.97621	1.1
77.00894	5.9
78.52942	1.6
79.00648	0.9
79.05488	5.9
81.01869	1.3
81.05761	1.4
82.01472	1.3
82.02943	42.4
82.88776	1.0
83.00815	0.9
83.01334	1.8
83.03250	1.2
83.97633	1.6
84.04505	1.0
84.08142	1.7
85.02914	5.1
86.06062	31.0
86.09698	7.2
87.00801	1.6
87.04472	10.3
87.09213	1.1
88.02693	5.0
89.00818	1.5
90.94820	35.8
91.01570	1.0
95.01947	3.5
96.04488	10.1
96.08139	7.8
97.02883	8.3
97.06512	3.0
97.07659	2.3
98.06045	0.9
99.04475	0.9
100.01066	1.0
100.02480	28.0
101.00880	2.1
101.02565	1.6
102.02308	1.9
103.02383	2.4
105.00366	2.6
108.95861	14.5
111.02922	4.5
111.53104	1.1
113.96420	4.8
114.02721	2.8
114.05523	35.6
114.09160	38.1
115.02323	1.0
115.03920	11.9
115.04697	1.3
115.05067	1.4
115.08717	1.6
115.09473	1.6
118.03516	32.2
119.01917	25.2
119.03633	3.7
120.01986	2.2
120.03413	3.7
121.01666	3.6
121.03486	1.8
123.01411	1.4
131.01904	13.0
131.97415	7.0
131.99614	1.2
132.01979	1.9
132.05049	1.3
133.01678	2.7
133.03432	5.2
134.03598	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1129.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
78.21875	0.3
79.05395	1.0
79.05843	0.3
80.04951	0.8
81.03323	1.1
81.05717	0.4
82.06506	0.5
84.08116	0.4
85.02892	2.4
86.09644	0.4
87.26945	0.3
89.03855	0.8
91.05392	1.4
92.04922	0.6
93.05692	1.0
93.07019	2.1
94.06557	4.5
95.04881	0.4
95.07245	1.2
95.08504	0.4
96.08121	3.8
97.02884	1.6
103.05384	0.5
103.68366	0.3
106.06502	0.7
106.12970	0.3
107.07248	0.5
107.48860	0.3
108.04453	2.2
108.08101	7.7
109.02809	0.7
110.05978	0.4
110.09668	5.7
116.04985	2.3
117.96423	0.3
118.06444	1.0
119.04844	0.4
120.04456	3.0
120.08097	5.7
121.06404	0.3
122.06013	4.4
122.09568	1.3
124.07564	3.8
127.03803	0.8
130.06454	0.3
132.04332	0.7
132.07919	0.4
134.06010	2.7
136.07561	8.5
137.05881	0.5
138.05414	0.5
138.09129	9.0
144.04449	3.9
144.08023	0.4
145.02829	0.3
146.04991	0.4
146.05989	4.9
148.07553	3.6
150.05408	0.4
150.09021	1.1
152.06953	1.4
158.05891	0.5
160.03914	3.2
162.05481	2.6
162.28636	0.4
163.03818	0.4
164.07013	2.1
166.08626	14.4
167.06981	0.7
172.03915	21.8
172.07468	0.6
173.04123	0.3
174.05441	2.0
176.07045	3.0
177.05429	0.5
178.04900	0.6
182.08189	0.4
182.09540	0.9
183.09055	0.6
186.05435	0.7
186.09052	0.7
190.04971	15.3
196.09747	0.5
197.10689	1.5
198.11357	0.5
199.08539	1.1
199.12210	1.3
204.06535	33.9
205.06728	0.6
207.06497	0.5
209.10631	1.6
210.09076	1.5
210.11327	0.7
211.08679	3.2
211.12212	0.7
212.09355	1.9
213.10056	1.0
215.11757	0.4
221.10559	0.5
223.08485	1.0
223.12094	1.0
224.09291	1.3
225.08031	0.5
225.10205	9.4
226.10756	1.1
227.11774	12.1
228.12094	0.5
229.13263	0.5
235.08514	0.6
236.09297	1.8
237.10181	2.5
238.10783	1.8
239.11737	4.1
240.12378	0.4
241.09764	1.5
241.13275	1.3
243.11169	0.6
245.12918	0.7
249.10321	1.5
250.10855	0.8
251.08173	0.9
251.11703	3.8
252.08673	0.8
253.09721	5.4
253.13297	0.8
254.10257	0.7
255.11324	2.2
257.12839	0.6
261.10208	0.5
262.08548	0.5
263.08041	1.0
263.11703	0.7
264.08847	3.5
264.11661	0.4
265.09702	2.9
266.10367	0.9
267.11261	2.8
268.08197	0.5
269.12836	15.4
270.09824	0.5
271.10745	9.1
271.13803	0.6
273.12314	3.4
275.11694	0.5
277.09555	1.9
278.10358	0.8
279.08328	0.4
279.11267	4.6
280.11917	0.4
281.09506	0.6
281.12750	1.4
283.10745	5.6
284.11456	4.5
285.12363	5.3
286.13055	1.4
287.13885	14.0
289.13168	0.4
291.11136	0.4
292.11359	0.3
293.09113	0.7
293.12711	0.4
294.09756	1.2
295.10736	2.0
296.11493	0.9
297.09119	0.7
297.12317	10.1
298.12906	0.5
299.13983	3.7
300.11627	0.5
300.15073	0.4
301.12576	0.5
302.12805	0.9
305.09039	1.0
307.10666	2.3
309.12167	1.4
311.10226	0.7
311.13837	0.7
312.11700	0.4
312.15021	1.5
313.12543	1.3
314.13034	1.5
314.16330	0.4
315.13742	1.8
316.10657	1.1
316.14322	1.5
317.15253	0.9
318.15634	0.4
319.10669	0.8
321.08545	1.1
321.12357	1.2
323.10226	7.2
324.10901	0.9
325.11798	17.5
326.12427	1.1
326.16495	2.2
327.13446	2.8
327.17209	1.5
328.10696	3.1
328.14392	2.8
329.11542	0.5
329.15082	2.1
330.12265	1.3
330.15921	2.7
331.16846	2.4
332.13623	0.4
334.09152	0.9
337.11780	0.9
338.12885	0.5
339.13766	1.9
340.10803	0.6
340.14349	1.0
341.11581	1.4
341.15070	0.8
342.08099	0.5
342.12292	7.4
342.15979	1.4
343.12952	8.7
343.16760	0.5
344.13696	1.8
344.17477	1.2
352.14374	0.9
353.12186	0.5
354.12134	1.6
354.16290	0.8
355.12909	2.0
355.17340	0.5
356.09799	0.5
356.13873	7.6
357.14447	22.5
358.15457	5.5
365.11151	1.0
366.11737	0.6
366.15988	1.2
367.13135	1.0
368.13824	1.1
368.17667	0.5
369.10861	0.8
369.15030	0.9
370.11609	1.3
370.15439	6.1
371.16614	2.4
372.12897	0.4
372.17465	1.9
373.14413	0.4
375.15646	0.4
376.16226	0.5
378.18207	2.1
380.13925	1.5
382.11676	3.6
383.12384	3.1
384.13290	5.6
384.17282	1.0
385.14041	2.9
386.14328	2.7
386.19183	2.9
387.15482	0.6
388.16476	1.3
390.18094	4.2
394.15457	1.3
396.12589	0.6
396.17038	0.9
397.14514	1.1
398.14951	23.1
399.15729	30.7
400.16684	3.0
401.13177	0.7
402.13547	0.5
402.18573	1.8
403.14474	0.4
404.15933	7.8
409.93121	0.4
412.16516	3.1
413.16998	0.6
414.13681	0.4
414.18246	5.5
415.15884	1.1
416.15979	18.9
417.16513	1.4
418.17484	1.0
422.17142	2.7
428.15948	4.7
430.17572	4.8
431.18210	0.7
432.19394	0.5
440.10196	0.7
440.16006	9.8
446.17056	8.3
447.17471	0.6
448.18500	1.1
457.16171	0.4
458.17053	34.0
459.17410	1.7
460.18787	0.5
461.18597	0.4
469.16043	1.4
472.18484	0.8
476.18002	0.9
478.19617	3.1
487.17093	10.2
488.17499	0.6
489.18649	0.6
490.19684	11.0
490.26993	0.6
491.20291	0.7
493.21558	0.4
501.18054	0.5
505.18073	0.7
519.19440	3.3
523.23199	1.3
525.25031	0.5
533.21857	0.7
539.26367	0.9
541.24060	1.6
547.23029	0.5
551.22693	1.3
560.20349	0.4
565.24408	1.5
567.25671	1.0
569.23877	6.0
570.23688	0.5
575.22778	0.7
583.25385	1.6
593.23999	4.7
602.21039	0.6
608.22284	0.8
610.24072	1.4
611.24933	100.0
612.24902	2.4
620.22388	2.6
625.26801	0.7
641.25983	0.6
642.26099	0.9
643.27545	58.4
644.27612	1.7
649.22174	0.9
652.24463	0.5
727.29742	0.4
729.31757	0.4
737.28101	1.8
745.30585	1.2
755.29102	2.9
772.29303	1.1
773.30164	61.9
774.30396	2.3
787.31665	0.6
805.32837	24.2
806.33136	1.0
899.33344	1.3
907.36517	0.4
917.34961	1.6
935.35516	9.6
936.35834	0.4
967.38611	2.1
1097.40784	0.5
1129.42163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1129.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
78.21875	0.3
79.05395	1.0
79.05843	0.3
80.04951	0.8
81.03323	1.1
81.05717	0.4
82.06506	0.5
84.08116	0.4
85.02892	2.4
86.09644	0.4
87.26945	0.3
89.03855	0.8
91.05392	1.4
92.04922	0.6
93.05692	1.0
93.07019	2.1
94.06557	4.5
95.04881	0.4
95.07245	1.2
95.08504	0.4
96.08121	3.8
97.02884	1.6
103.05384	0.5
103.68366	0.3
106.06502	0.7
106.12970	0.3
107.07248	0.5
107.48860	0.3
108.04453	2.2
108.08101	7.7
109.02809	0.7
110.05978	0.4
110.09668	5.7
116.04985	2.3
117.96423	0.3
118.06444	1.0
119.04844	0.4
120.04456	3.0
120.08097	5.7
121.06404	0.3
122.06013	4.4
122.09568	1.3
124.07564	3.8
127.03803	0.8
130.06454	0.3
132.04332	0.7
132.07919	0.4
134.06010	2.7
136.07561	8.5
137.05881	0.5
138.05414	0.5
138.09129	9.0
144.04449	3.9
144.08023	0.4
145.02829	0.3
146.04991	0.4
146.05989	4.9
148.07553	3.6
150.05408	0.4
150.09021	1.1
152.06953	1.4
158.05891	0.5
160.03914	3.2
162.05481	2.6
162.28636	0.4
163.03818	0.4
164.07013	2.1
166.08626	14.4
167.06981	0.7
172.03915	21.8
172.07468	0.6
173.04123	0.3
174.05441	2.0
176.07045	3.0
177.05429	0.5
178.04900	0.6
182.08189	0.4
182.09540	0.9
183.09055	0.6
186.05435	0.7
186.09052	0.7
190.04971	15.3
196.09747	0.5
197.10689	1.5
198.11357	0.5
199.08539	1.1
199.12210	1.3
204.06535	33.9
205.06728	0.6
207.06497	0.5
209.10631	1.6
210.09076	1.5
210.11327	0.7
211.08679	3.2
211.12212	0.7
212.09355	1.9
213.10056	1.0
215.11757	0.4
221.10559	0.5
223.08485	1.0
223.12094	1.0
224.09291	1.3
225.08031	0.5
225.10205	9.4
226.10756	1.1
227.11774	12.1
228.12094	0.5
229.13263	0.5
235.08514	0.6
236.09297	1.8
237.10181	2.5
238.10783	1.8
239.11737	4.1
240.12378	0.4
241.09764	1.5
241.13275	1.3
243.11169	0.6
245.12918	0.7
249.10321	1.5
250.10855	0.8
251.08173	0.9
251.11703	3.8
252.08673	0.8
253.09721	5.4
253.13297	0.8
254.10257	0.7
255.11324	2.2
257.12839	0.6
261.10208	0.5
262.08548	0.5
263.08041	1.0
263.11703	0.7
264.08847	3.5
264.11661	0.4
265.09702	2.9
266.10367	0.9
267.11261	2.8
268.08197	0.5
269.12836	15.4
270.09824	0.5
271.10745	9.1
271.13803	0.6
273.12314	3.4
275.11694	0.5
277.09555	1.9
278.10358	0.8
279.08328	0.4
279.11267	4.6
280.11917	0.4
281.09506	0.6
281.12750	1.4
283.10745	5.6
284.11456	4.5
285.12363	5.3
286.13055	1.4
287.13885	14.0
289.13168	0.4
291.11136	0.4
292.11359	0.3
293.09113	0.7
293.12711	0.4
294.09756	1.2
295.10736	2.0
296.11493	0.9
297.09119	0.7
297.12317	10.1
298.12906	0.5
299.13983	3.7
300.11627	0.5
300.15073	0.4
301.12576	0.5
302.12805	0.9
305.09039	1.0
307.10666	2.3
309.12167	1.4
311.10226	0.7
311.13837	0.7
312.11700	0.4
312.15021	1.5
313.12543	1.3
314.13034	1.5
314.16330	0.4
315.13742	1.8
316.10657	1.1
316.14322	1.5
317.15253	0.9
318.15634	0.4
319.10669	0.8
321.08545	1.1
321.12357	1.2
323.10226	7.2
324.10901	0.9
325.11798	17.5
326.12427	1.1
326.16495	2.2
327.13446	2.8
327.17209	1.5
328.10696	3.1
328.14392	2.8
329.11542	0.5
329.15082	2.1
330.12265	1.3
330.15921	2.7
331.16846	2.4
332.13623	0.4
334.09152	0.9
337.11780	0.9
338.12885	0.5
339.13766	1.9
340.10803	0.6
340.14349	1.0
341.11581	1.4
341.15070	0.8
342.08099	0.5
342.12292	7.4
342.15979	1.4
343.12952	8.7
343.16760	0.5
344.13696	1.8
344.17477	1.2
352.14374	0.9
353.12186	0.5
354.12134	1.6
354.16290	0.8
355.12909	2.0
355.17340	0.5
356.09799	0.5
356.13873	7.6
357.14447	22.5
358.15457	5.5
365.11151	1.0
366.11737	0.6
366.15988	1.2
367.13135	1.0
368.13824	1.1
368.17667	0.5
369.10861	0.8
369.15030	0.9
370.11609	1.3
370.15439	6.1
371.16614	2.4
372.12897	0.4
372.17465	1.9
373.14413	0.4
375.15646	0.4
376.16226	0.5
378.18207	2.1
380.13925	1.5
382.11676	3.6
383.12384	3.1
384.13290	5.6
384.17282	1.0
385.14041	2.9
386.14328	2.7
386.19183	2.9
387.15482	0.6
388.16476	1.3
390.18094	4.2
394.15457	1.3
396.12589	0.6
396.17038	0.9
397.14514	1.1
398.14951	23.1
399.15729	30.7
400.16684	3.0
401.13177	0.7
402.13547	0.5
402.18573	1.8
403.14474	0.4
404.15933	7.8
409.93121	0.4
412.16516	3.1
413.16998	0.6
414.13681	0.4
414.18246	5.5
415.15884	1.1
416.15979	18.9
417.16513	1.4
418.17484	1.0
422.17142	2.7
428.15948	4.7
430.17572	4.8
431.18210	0.7
432.19394	0.5
440.10196	0.7
440.16006	9.8
446.17056	8.3
447.17471	0.6
448.18500	1.1
457.16171	0.4
458.17053	34.0
459.17410	1.7
460.18787	0.5
461.18597	0.4
469.16043	1.4
472.18484	0.8
476.18002	0.9
478.19617	3.1
487.17093	10.2
488.17499	0.6
489.18649	0.6
490.19684	11.0
490.26993	0.6
491.20291	0.7
493.21558	0.4
501.18054	0.5
505.18073	0.7
519.19440	3.3
523.23199	1.3
525.25031	0.5
533.21857	0.7
539.26367	0.9
541.24060	1.6
547.23029	0.5
551.22693	1.3
560.20349	0.4
565.24408	1.5
567.25671	1.0
569.23877	6.0
570.23688	0.5
575.22778	0.7
583.25385	1.6
593.23999	4.7
602.21039	0.6
608.22284	0.8
610.24072	1.4
611.24933	100.0
612.24902	2.4
620.22388	2.6
625.26801	0.7
641.25983	0.6
642.26099	0.9
643.27545	58.4
644.27612	1.7
649.22174	0.9
652.24463	0.5
727.29742	0.4
729.31757	0.4
737.28101	1.8
745.30585	1.2
755.29102	2.9
772.29303	1.1
773.30164	61.9
774.30396	2.3
787.31665	0.6
805.32837	24.2
806.33136	1.0
899.33344	1.3
907.36517	0.4
917.34961	1.6
935.35516	9.6
936.35834	0.4
967.38611	2.1
1097.40784	0.5
1129.42163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05482	1.0
80.05006	0.9
81.03411	0.9
81.07040	0.5
82.06543	0.4
85.02889	2.2
86.09705	0.4
87.04469	0.6
88.51281	0.3
89.03923	0.6
91.05476	1.1
93.05747	0.4
93.07045	1.4
94.06555	3.3
95.04955	0.4
95.07367	1.1
96.08128	4.0
97.02895	1.2
98.20763	0.4
103.05466	0.4
106.06555	0.9
107.07292	0.5
108.04467	1.5
108.08110	6.5
109.02882	0.8
110.09655	4.0
116.04989	1.1
120.04433	2.1
120.08092	4.7
122.06035	3.3
124.07569	3.1
127.03935	0.7
131.04936	0.5
132.08078	0.4
134.05988	1.9
136.07582	5.8
137.06017	0.5
138.05498	0.5
138.09120	6.1
144.04427	2.4
145.04988	0.5
146.06010	3.4
148.07549	2.7
150.09125	0.7
152.07115	0.6
156.40495	0.4
160.03923	2.5
161.09781	0.3
162.05478	2.4
164.07086	1.1
166.08621	7.7
167.07204	0.9
172.03912	13.7
172.07697	0.5
174.05452	1.8
176.07085	1.3
182.09686	0.9
184.09973	0.6
186.05522	0.3
188.50903	0.4
190.04959	8.9
197.10759	1.5
199.08670	0.5
199.12268	2.1
204.06540	19.0
205.06865	0.6
207.06740	0.4
209.10799	0.8
210.09196	1.5
211.08690	1.9
211.12294	0.7
212.09453	1.1
223.08693	0.7
223.12292	0.7
224.09462	1.0
225.10197	6.1
226.10938	0.6
227.11769	18.5
229.13397	0.4
235.08675	0.6
236.09479	1.0
237.10243	2.9
238.10933	1.1
239.11690	2.2
241.09879	0.4
241.13397	1.2
245.12903	0.7
249.10172	1.9
250.11098	0.7
251.08150	0.8
251.11859	2.4
252.08920	0.6
253.09660	3.7
253.13667	0.4
254.10608	0.5
255.11362	1.3
263.08252	2.0
263.11197	0.4
264.08942	1.1
265.09708	3.4
266.10477	1.0
267.11255	3.2
269.12839	7.7
271.10757	8.1
273.12241	2.1
275.08395	0.4
277.09650	1.8
278.10358	0.6
279.11249	4.3
281.09726	0.7
281.12903	0.9
283.10809	1.8
284.11609	0.4
285.12335	3.9
287.13956	1.9
289.09671	0.6
289.13199	0.6
291.11270	0.6
293.09201	0.8
295.10791	1.3
296.11746	0.4
297.12341	5.7
298.12820	0.5
299.14008	1.0
300.11554	0.4
300.15115	0.5
301.12598	0.4
302.12860	0.5
303.04926	0.4
305.09344	1.0
307.10858	1.4
309.12329	0.9
311.10547	0.5
311.14059	0.5
312.15326	0.8
313.12622	1.1
314.13098	1.5
315.04883	0.6
315.13803	0.8
316.14502	1.4
317.15131	0.7
319.10721	0.4
321.12195	0.6
323.10397	1.5
325.11801	8.3
325.15402	0.5
326.12814	1.0
326.16666	1.5
327.13702	1.5
327.17273	0.8
328.10898	1.2
328.14487	1.8
329.11523	0.8
329.15121	1.0
330.12524	0.6
330.16043	2.1
331.16827	2.1
334.09296	0.9
337.11688	0.6
339.13675	1.1
340.10904	0.5
340.14575	0.8
341.11908	1.2
341.15469	0.9
342.12476	4.0
342.16153	1.4
343.12976	5.1
343.16721	0.4
344.13953	1.6
344.17645	0.6
346.15540	0.4
351.13626	0.4
352.14557	1.0
354.12411	1.3
354.16284	1.1
355.12885	1.8
355.17310	0.5
356.13864	5.8
357.14478	11.3
358.15472	6.4
358.19534	0.6
359.15967	0.5
366.12097	0.7
366.16022	0.9
367.12936	0.8
368.13977	1.1
369.14697	1.7
370.11670	0.6
370.15610	4.5
371.16220	1.4
372.17438	1.6
373.17722	1.0
374.18765	0.5
380.13977	1.5
381.14929	0.5
382.11581	3.4
382.15698	0.8
383.11948	2.0
383.16293	1.2
384.13101	3.8
384.17722	0.7
385.13950	2.3
386.14581	2.9
386.18942	1.4
387.15765	0.7
388.16678	1.3
390.18158	0.5
394.15546	1.1
396.13049	0.7
396.17603	0.7
397.14539	1.3
398.14966	21.4
399.15735	23.8
400.16415	2.9
401.17148	1.0
402.14081	0.4
402.18619	0.4
403.15277	0.4
404.16086	2.1
409.14078	1.5
410.14664	0.7
412.16409	3.0
414.18427	1.7
416.15894	3.8
417.16379	0.9
418.17227	0.6
419.18085	11.6
422.14972	1.9
427.15302	0.5
428.16119	1.4
429.16519	1.6
430.17474	2.1
431.18292	0.7
440.16006	5.6
442.17892	0.7
445.16324	0.5
446.16989	0.4
451.15317	0.4
455.14499	1.2
458.17020	4.6
459.17755	0.6
464.21841	0.6
469.16013	0.7
471.17941	0.8
476.21906	1.2
486.19995	0.6
487.16858	3.7
490.19693	3.3
492.21872	0.5
498.20319	0.6
500.22061	0.7
502.19589	3.7
503.20447	0.6
504.21262	0.8
508.20752	1.1
510.22092	1.1
514.19641	1.5
516.21381	1.1
518.22559	1.5
519.19708	0.9
520.21161	0.6
522.22076	1.8
523.23132	1.0
526.19867	1.6
532.20673	1.3
533.21545	0.7
534.22559	0.5
536.20203	2.4
544.20734	7.8
546.22443	0.7
547.23822	0.4
548.20227	2.1
551.22949	1.3
560.20111	3.3
562.21790	1.5
565.24548	0.5
569.24457	0.8
572.20001	1.7
576.19861	0.5
578.21368	7.6
590.21289	21.5
591.21991	0.5
593.24475	0.9
610.23615	2.2
622.23798	8.1
625.29285	0.4
627.28442	0.4
653.29724	0.6
655.27600	1.4
656.28046	0.4
671.30945	0.6
679.27942	0.8
683.26892	0.5
697.28369	1.4
699.30530	0.4
701.28333	1.7
715.29779	1.8
725.28113	6.0
726.28949	0.4
742.28925	0.7
743.29114	100.0
744.29144	3.0
752.26227	0.8
757.30957	0.6
774.31165	0.5
775.31738	29.3
776.31958	1.2
784.28656	0.4
869.32611	2.0
887.32910	1.4
905.34314	24.7
906.34387	1.0
937.36975	6.6
1031.36877	1.3
1067.39465	6.1
1099.41943	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02361	0.6
53.00315	0.8
53.03946	20.4
55.01873	1.8
55.05511	11.1
65.03945	7.5
67.02972	0.8
67.04253	2.6
67.05503	100.0
67.93576	1.2
68.05027	11.1
68.05831	2.2
69.03452	0.7
69.04559	5.8
69.07066	7.5
69.39613	1.8
69.40031	4.1
72.93788	0.7
79.05492	15.2
80.05014	1.5
80.06279	1.2
81.03419	31.4
81.04510	0.9
81.07056	37.6
82.06577	10.4
82.07362	1.1
83.06106	2.1
87.00459	7.2
87.58972	0.6
91.05498	2.5
92.05029	1.1
93.03370	0.6
93.04585	0.6
94.04196	3.1
94.07798	1.2
95.04984	0.8
95.58684	0.6
96.00991	1.3
98.20695	1.0
105.06987	0.8
107.04977	1.1
107.07962	0.6
107.08575	3.9
109.02879	8.8
109.04799	0.6
109.06513	10.6
109.07646	16.4
109.10153	36.9
110.06039	26.6
110.07163	21.3
110.07960	0.9
110.10485	1.8
113.96400	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	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
52.70111	0.5
53.03950	8.0
53.84665	0.5
54.04272	0.5
55.05511	10.2
65.03942	6.4
67.04273	1.2
67.05503	100.0
68.05017	1.2
68.05836	2.6
69.07064	6.4
69.71387	3.0
72.93793	0.9
73.65318	0.5
79.05494	9.3
80.05013	0.8
80.06263	1.2
81.03418	10.3
81.07056	31.5
81.88656	0.5
82.03740	0.6
82.06582	5.5
82.07390	0.9
86.00696	1.1
86.50610	1.3
87.00463	13.6
90.94820	0.9
91.05471	1.7
92.05008	0.7
94.04177	0.9
94.07822	1.4
95.04952	0.4
96.00979	2.9
98.51275	3.1
102.09625	0.5
105.07021	0.6
107.08588	2.6
109.02854	2.4
109.06525	3.3
109.07661	4.9
109.10155	36.7
110.02039	0.9
110.06039	17.0
110.07181	2.1
110.10476	1.5
111.96852	0.7
113.96393	5.5
124.38569	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02364	0.3
53.03935	0.8
55.01862	0.6
59.62600	0.2
62.18537	0.2
65.03935	14.4
66.04259	0.3
67.04262	0.2
67.05492	2.0
69.52976	1.7
69.73978	0.2
77.03921	0.3
79.05487	11.3
79.33642	0.2
80.05013	0.8
91.05473	100.0
92.05798	2.3
92.06266	2.0
95.04970	2.2
96.31691	0.2
103.05454	0.6
105.07023	30.1
106.04147	0.2
106.07373	0.7
106.24292	0.2
106.32703	0.2
107.04948	3.3
107.06062	0.5
107.08585	28.5
108.04510	0.4
108.08161	0.3
108.08907	0.7
108.33852	0.2
109.06509	18.5
110.06798	0.5
118.53820	0.2
119.06051	5.3
124.05190	0.6
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
50.75734	0.3
51.02373	0.5
53.03943	3.8
55.01873	1.0
55.05501	0.5
56.96551	0.5
62.99068	0.4
65.03938	13.3
66.04269	0.7
67.04265	0.8
67.05498	3.5
69.48894	1.3
69.49319	1.5
77.03924	0.5
79.05487	30.8
80.05018	4.9
80.05833	0.5
81.03393	0.7
91.05473	100.0
92.05776	2.6
92.06297	3.1
93.05765	0.4
95.04961	7.0
96.04508	0.5
96.05275	0.4
103.05435	0.9
105.04530	1.4
105.07024	28.3
106.06586	0.8
106.07356	1.1
107.04948	13.2
107.06038	2.1
107.08586	26.8
107.41945	0.3
108.04482	2.4
108.05621	1.8
108.08107	1.1
108.08888	0.8
109.06509	17.0
110.06876	0.4
117.69052	0.4
119.06055	4.4
124.05242	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02367	0.6
53.03949	3.4
55.01875	0.5
55.05503	0.9
63.02349	0.2
65.03938	18.6
66.04276	0.3
66.37788	0.2
67.05502	7.4
69.44008	1.4
69.44417	0.5
77.03921	0.7
78.04678	0.3
79.05489	56.9
80.05008	1.0
80.05794	1.1
89.49936	0.2
91.05476	100.0
92.05795	2.3
92.06268	3.9
95.04355	0.4
95.04963	7.9
98.20703	0.4
99.77560	0.2
103.05472	0.9
105.03931	0.2
105.04497	1.4
105.07024	24.0
106.04170	0.2
106.07375	0.7
107.04950	3.8
107.06058	0.3
107.08587	18.1
108.04468	0.6
108.08913	0.5
109.06516	11.5
119.06062	3.1
124.05218	0.6
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
51.02371	0.3
53.03938	1.1
55.01864	0.6
57.02717	0.2
59.62871	0.2
65.03937	13.7
66.04288	0.3
67.04251	0.5
67.05503	1.8
69.80907	0.5
69.81318	0.9
77.03915	0.3
79.05488	12.5
80.05008	2.0
80.05820	0.2
91.05476	100.0
92.05747	1.8
92.06313	2.0
92.52631	0.2
95.04964	2.5
96.04485	0.2
98.21513	0.3
103.05466	0.6
105.04514	0.6
105.07027	29.8
106.04185	0.3
106.06538	0.2
106.07362	0.6
107.04958	4.8
107.06093	0.8
107.08588	31.6
107.65445	0.2
108.04486	0.4
108.05629	0.4
108.08147	0.3
108.08929	0.7
109.06510	15.9
110.06865	0.6
118.71013	0.2
119.06052	5.9
119.06876	0.3
124.05190	0.9
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
51.02377	0.7
53.03949	2.9
55.01874	1.0
61.05835	0.5
65.03938	14.4
66.03474	0.7
67.04231	1.6
67.05518	3.5
68.59277	0.5
69.43243	2.6
69.43666	2.1
77.03921	0.6
79.05492	26.6
80.05016	6.4
80.05808	0.7
91.05480	100.0
92.05827	1.3
92.06269	2.6
95.04968	7.3
96.04492	1.1
98.20776	1.0
105.04534	1.4
105.07034	29.2
106.06516	1.4
107.04296	0.4
107.04953	12.5
107.06090	3.1
107.08595	29.5
108.04480	1.2
108.05597	0.7
108.08951	0.8
109.06522	15.1
112.13914	0.5
119.06065	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	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03943	0.6
55.01860	0.6
63.02363	0.2
65.03937	12.5
67.05502	2.2
70.09415	0.6
70.09821	0.3
74.60722	0.2
79.05490	11.9
80.05025	0.8
91.05477	100.0
92.05797	1.7
92.06265	2.2
95.04964	2.2
98.09529	0.2
103.05459	0.7
105.07027	29.5
106.04169	0.6
106.07378	0.5
107.04951	3.3
107.06126	0.4
107.08589	29.4
108.08214	0.2
108.08933	0.8
109.06514	17.3
110.06823	0.5
119.06059	5.1
124.05212	0.6
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
51.02382	0.3
53.00318	0.2
53.03941	1.8
55.01870	0.7
56.96562	0.5
57.07912	0.2
59.14160	0.2
62.14989	0.2
62.99087	0.3
63.02327	0.2
65.03938	14.2
66.04273	0.2
67.04259	1.1
67.05502	2.2
69.48944	0.6
69.49369	1.2
77.03934	0.5
79.05489	15.8
80.05014	4.6
80.05785	0.4
81.03418	0.3
81.04527	0.3
87.74151	0.2
91.05476	100.0
92.05794	1.8
92.06272	2.4
93.02056	0.3
93.05785	0.5
95.04962	4.2
96.04481	0.8
96.16719	0.2
103.05470	0.8
105.04515	0.9
105.07026	29.5
106.04189	0.5
106.06551	1.1
106.07361	0.8
107.04952	10.2
107.06076	2.4
107.08588	31.0
108.04494	1.8
108.05639	1.3
108.08108	0.9
108.08928	0.7
109.06512	16.8
110.06853	0.5
119.06058	5.0
124.05206	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02369	1.5
51.34730	0.2
53.03947	9.5
54.04279	0.2
55.01870	1.2
56.96563	2.8
62.99064	0.5
65.03944	1.1
66.03457	0.6
67.04245	3.9
70.31753	0.2
71.59106	0.3
73.85444	0.2
77.03916	1.6
79.05492	100.0
80.05020	7.5
80.05825	3.7
80.06274	1.2
81.03412	0.8
81.04541	0.5
82.78894	0.3
89.03957	0.3
90.04706	1.4
91.05480	5.2
92.03746	0.3
93.05772	0.5
95.04967	22.6
96.04485	0.7
96.05309	0.8
100.00991	0.3
102.98937	0.2
105.04524	4.5
105.07021	1.3
106.06562	0.5
107.04955	45.8
107.06104	4.0
107.06900	4.7
107.08537	1.3
108.04575	1.7
108.05772	3.4
108.08138	0.9
109.06533	0.7
119.06020	0.3
121.99118	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	106.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03738	0.4
53.03945	4.9
54.39183	0.4
55.01874	0.5
55.60993	0.5
56.96551	1.2
57.85281	0.4
60.04512	1.7
64.92792	0.7
65.03932	0.6
67.04245	1.3
69.38813	2.0
69.39229	2.0
77.03924	0.8
78.03468	0.6
79.05491	48.9
80.05009	1.8
81.00355	0.4
81.00817	0.4
81.03404	0.6
83.71172	0.4
90.55315	0.4
91.05453	1.0
95.04965	12.4
96.04498	3.1
105.04492	2.2
105.07016	0.5
106.06551	100.0
107.04948	10.9
107.06081	2.0
107.06891	2.7
107.08579	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01575	0.6
51.02367	1.8
53.03703	0.8
53.03943	11.1
56.96551	1.3
60.04504	1.4
60.08152	1.1
61.08481	1.6
64.95546	1.4
65.03930	1.9
68.72543	0.4
69.32731	0.8
69.33136	3.7
77.03908	2.7
79.05486	51.5
80.05809	1.2
81.03395	1.5
87.00829	9.2
91.48179	1.7
95.04961	29.0
96.04481	0.8
96.05290	0.9
96.47578	0.4
99.51830	0.4
100.48701	1.3
103.05462	34.4
104.05775	0.4
104.90823	1.6
105.01859	1.3
105.03373	1.2
105.04527	6.7
105.07022	100.0
105.11063	4.8
106.06550	3.3
106.07357	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	1052.6
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02900	8.7
79.05487	30.9
81.06573	3.4
81.07050	64.9
82.22836	1.5
83.04952	3.6
83.08604	8.2
85.02415	3.0
85.02898	33.1
85.06521	2.2
86.09673	3.9
91.03947	28.9
91.05467	18.2
92.54468	1.7
93.06467	2.3
93.07036	34.0
95.04951	3.2
95.08598	64.3
97.02876	19.7
97.06539	8.7
97.10155	3.5
99.04436	3.6
99.08052	3.3
105.07013	20.5
107.08588	16.0
109.06491	2.1
109.10143	17.3
111.08079	2.2
117.07001	5.2
119.08562	17.7
121.10146	17.1
123.11691	5.7
127.03908	12.2
131.08525	7.1
133.10126	12.3
135.11673	16.2
137.09673	2.0
137.13210	3.4
138.46492	1.7
145.04941	15.8
145.10126	6.4
147.11681	5.5
149.13217	6.1
159.11752	4.7
161.13242	15.5
163.06000	39.1
163.14809	5.5
170.92593	1.5
173.13225	3.6
175.14876	2.2
179.14322	11.0
187.14815	2.9
197.15395	2.9
241.07140	1.7
243.21082	8.4
253.17967	18.8
261.22144	24.5
269.17474	4.4
271.19025	72.6
279.23477	1.8
293.67218	1.7
325.11444	2.4
335.25775	70.2
337.27231	3.3
353.26807	17.1
439.35568	3.7
453.14957	1.7
457.36697	3.9
459.10458	1.8
475.37686	1.9
513.39380	12.7
531.40417	100.0
532.40820	1.8
549.41119	5.4
584.22217	2.8
644.23895	5.5
760.81274	1.8
787.82159	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1052.5997
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02909	5.8
77.18856	0.8
79.05486	24.1
81.03405	2.3
81.07052	51.9
83.04973	1.5
83.08607	7.0
84.68068	0.8
85.02904	28.9
85.06526	2.6
91.03947	20.2
91.05468	17.3
93.07038	26.2
95.04941	3.5
95.08600	49.3
97.02882	14.5
97.06528	5.5
97.10155	3.3
99.02351	0.8
99.04433	1.6
99.08056	2.9
105.07026	15.0
107.08592	14.6
109.02869	1.1
109.06510	1.9
109.10139	12.8
111.08076	1.3
115.03942	2.0
117.06982	3.3
119.08564	15.6
121.10139	10.9
123.08067	2.0
123.11703	3.8
127.03937	8.2
131.08539	5.3
133.09221	1.4
133.10135	13.2
135.11679	10.6
137.13240	3.8
139.11118	1.2
145.04955	13.7
145.10098	4.3
146.75822	0.8
147.11670	2.8
149.13243	4.2
157.10207	1.1
159.11678	4.0
161.13228	18.0
163.06001	27.2
163.14813	2.5
164.13181	0.9
173.13257	2.9
176.53862	0.8
179.14299	16.3
181.07036	0.9
197.15387	1.4
237.70360	0.9
243.21039	4.0
253.17940	17.3
261.22101	15.3
269.17404	1.8
271.19009	42.1
271.93985	1.0
279.23062	2.4
317.24695	1.7
325.11185	1.4
335.25772	100.0
336.25998	1.4
337.27319	3.0
353.26682	4.8
439.35596	3.3
457.36829	4.4
513.39276	9.5
531.40411	98.4
532.40558	3.1
549.41742	4.2
802.88232	1.0
913.23401	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02361	1.9
52.50369	0.7
53.03735	0.9
53.03947	9.9
60.04522	1.4
61.08487	1.0
65.03949	4.4
67.34932	0.8
69.60384	5.6
77.03923	2.5
79.05493	53.6
81.03428	1.6
87.00851	0.9
95.04967	25.8
98.20837	1.6
101.38799	0.9
103.05466	33.0
105.04543	5.7
105.07028	100.0
105.11060	2.3
106.06624	1.7
106.07370	2.5
108.24770	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02382	2.2
53.03948	13.4
56.04982	1.0
56.96557	2.4
57.82837	1.0
60.04519	2.7
60.95846	2.5
61.08498	1.9
64.95550	4.3
65.03947	6.3
69.96742	5.1
77.03940	2.9
79.05493	52.8
81.03406	1.1
83.02219	0.9
91.48184	3.3
95.04971	27.7
100.48716	3.4
102.04641	1.1
103.05470	33.5
104.05781	1.1
104.90798	5.1
104.95958	1.0
105.03382	2.2
105.04545	8.2
105.07030	100.0
105.11089	4.6
106.06557	5.5
106.07362	3.5
110.72675	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02375	1.8
53.03946	11.2
61.08497	0.5
65.03935	3.6
77.03913	2.7
79.05489	51.8
79.36540	0.5
80.05805	1.2
81.03407	1.2
91.48193	1.0
95.04964	27.2
103.05466	34.9
104.05769	0.7
104.90832	0.6
105.04534	6.1
105.07027	100.0
106.06595	0.9
106.07352	2.3
108.92493	0.4
114.42375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1048.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00665	4.7
76.02222	21.8
76.03991	12.0
79.05490	18.8
80.05012	12.1
80.48589	1.9
81.03419	9.8
81.05788	2.9
81.07050	27.5
82.06574	5.0
83.04967	3.5
83.06108	10.0
83.08603	4.1
84.04495	62.8
85.01126	52.3
85.02887	3.9
85.04022	7.5
86.00642	37.4
86.09692	2.5
86.99045	57.0
87.02686	4.3
88.02187	4.7
91.05454	14.1
93.07026	17.0
95.04961	5.7
95.08611	17.2
96.04484	5.2
97.01112	12.6
97.02863	3.8
97.10159	2.7
98.00646	6.6
98.06014	3.6
98.21505	4.7
99.05573	3.0
100.02183	5.4
102.03763	39.3
102.05536	28.4
105.07040	9.6
107.06069	2.0
107.08591	8.6
109.07606	4.9
109.10135	6.5
110.06052	4.3
111.56779	2.0
112.02184	31.4
112.03953	4.6
113.00608	8.5
114.00134	2.5
114.03748	19.7
114.05522	3.1
115.02174	2.7
116.01668	32.4
117.07016	3.8
119.08579	8.8
121.10146	8.6
124.02164	5.5
125.00528	2.5
125.09653	3.7
126.03728	2.7
126.05517	5.8
128.07077	2.9
129.06567	10.3
130.03217	16.5
130.04993	31.7
131.04486	3.0
131.08589	7.8
132.01172	2.6
133.10197	3.3
134.05995	3.6
135.11676	6.6
136.03981	4.1
137.09534	2.1
140.01646	7.5
141.04823	2.1
142.03220	56.1
142.04968	2.2
143.02733	42.4
144.01115	5.4
145.06108	9.8
145.10146	3.1
147.11688	3.7
152.01657	4.9
153.06630	5.8
155.08151	7.9
156.06517	6.8
158.02750	8.8
159.11722	3.4
160.00763	2.8
162.02206	16.4
162.05637	2.1
163.11217	4.6
168.04810	8.9
168.06493	2.4
169.04323	9.6
170.02686	6.6
171.02205	5.8
171.07732	2.1
173.09358	2.7
177.03291	25.4
179.04865	16.0
181.06085	9.2
184.06076	2.6
185.03827	6.0
186.07672	2.4
187.05397	2.7
188.03793	9.2
189.03278	100.0
191.10561	2.3
193.12207	3.4
196.04305	15.6
199.05379	3.8
199.07146	5.6
205.06401	41.9
208.59401	2.5
211.07201	2.6
211.13319	2.9
214.53004	2.3
215.04845	41.5
217.06406	4.8
223.07822	2.3
224.03821	6.5
227.04803	3.7
227.12856	2.7
229.25867	2.8
231.04341	9.3
232.04993	2.9
233.05888	35.4
241.06456	3.8
245.05927	15.8
259.07486	5.2
266.12039	9.9
267.10449	2.2
267.15799	5.1
269.06082	2.6
284.13113	3.9
287.06964	14.5
288.06589	2.7
299.07211	3.9
306.07513	7.8
307.08374	8.6
308.09076	8.2
334.10608	27.3
335.25778	32.7
341.15161	2.4
345.07236	3.4
361.39899	2.2
362.10110	50.3
461.19565	3.8
527.37067	3.0
636.39642	2.7
703.39496	3.4
705.40582	3.4
721.41046	11.1
739.41974	30.3
757.43329	18.9
775.41412	2.7
793.42950	6.2
811.43945	8.4
868.46136	15.1
886.47235	52.3
887.46484	3.7
1048.52808	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	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.5
51.02382	2.7
53.03947	17.5
55.01867	1.1
56.25875	0.6
56.96566	20.6
57.03433	0.7
57.37132	0.5
58.06592	0.6
58.96157	1.8
59.06114	1.8
59.47742	0.7
60.02159	0.5
60.04523	0.8
60.08158	2.3
60.95849	3.2
67.05501	0.9
67.51057	1.2
68.01257	0.6
68.87309	0.5
70.04103	2.9
76.51589	1.5
77.03924	4.3
79.01862	2.3
79.52025	2.0
81.01498	1.0
81.03396	1.6
85.02933	0.7
86.03224	2.5
88.02377	3.0
88.52544	2.2
89.02113	0.7
95.04969	39.7
96.05322	0.8
102.04677	4.1
103.05466	100.0
104.05827	3.0
104.10743	2.9
105.04511	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	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.5
51.02370	2.6
53.03945	23.9
54.04251	0.5
55.01860	1.6
56.05025	1.3
57.03426	0.7
57.05357	0.7
58.06589	2.2
59.06109	2.7
60.04535	0.7
60.08165	2.9
62.06096	2.9
69.82892	2.6
71.05093	0.5
72.14393	0.5
73.07703	0.7
75.05589	0.5
77.03923	5.6
81.03423	2.8
85.02914	0.8
85.04839	0.5
85.07663	0.7
86.06071	2.4
95.04965	57.1
97.11458	0.6
102.04663	5.2
103.05465	100.0
103.08691	6.4
104.05787	2.3
104.10746	3.9
105.04509	9.5
112.69941	0.5
114.06208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	6.1
58.06869	0.4
59.07369	1.8
60.08160	56.2
60.95857	0.7
61.08495	0.5
62.92987	0.3
69.28717	1.7
69.29128	0.6
72.05295	0.2
80.21722	0.2
86.09725	0.2
104.10737	100.0
105.04501	0.3
105.07038	0.3
105.11074	1.5
109.91591	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	6.0
58.14204	0.9
59.07376	2.1
60.08159	54.8
62.92984	0.9
66.58910	0.8
68.64404	0.7
69.26203	2.5
69.26621	6.3
87.04369	0.7
89.22878	0.8
97.21700	0.7
97.31141	0.7
104.10735	100.0
105.11075	2.0
118.98172	0.7
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
57.66257	0.1
58.06595	6.3
59.07377	1.8
59.70795	0.1
60.08159	57.5
61.08489	0.3
69.03432	0.2
69.83522	0.2
69.83936	0.1
73.41621	0.1
86.06088	0.1
86.09703	0.3
87.04440	0.3
88.07629	0.2
89.08389	0.1
90.31016	0.1
104.10735	100.0
105.10434	0.1
105.11053	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65809	0.2
54.03121	0.2
58.06596	6.1
59.07375	1.7
59.95907	0.2
60.08160	53.7
61.08498	0.5
69.03424	1.0
69.79502	1.4
69.79867	0.3
70.24055	0.2
75.97912	0.2
86.06064	0.5
86.09701	0.3
87.04466	1.8
104.10736	100.0
105.11037	1.0
115.50914	0.2
120.14894	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.419
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08151	1.7
79.05481	1.8
80.05008	1.8
81.03398	4.8
81.07050	1.6
85.02905	7.3
86.09702	2.0
91.05469	2.3
93.07022	1.9
94.06553	4.3
96.08143	2.4
97.02882	4.7
99.04475	2.3
103.05421	1.6
105.06979	1.5
106.06525	2.3
107.07347	1.4
108.08111	8.5
109.02860	2.3
110.09661	4.1
120.04459	2.1
120.08115	6.2
122.06037	5.3
122.09647	2.9
122.46652	1.0
124.07568	1.8
127.03905	2.2
134.05981	1.0
134.09637	1.7
135.06761	1.3
136.07565	16.8
136.11211	1.9
137.05957	1.2
138.05521	2.6
138.09128	8.6
144.04404	2.8
145.02927	1.1
145.04921	1.3
146.06006	12.0
147.04483	1.3
148.07562	6.8
150.09152	9.6
151.06239	1.2
151.09962	1.4
152.07062	2.2
152.10670	2.3
160.03914	1.7
162.05481	3.7
162.08981	1.6
163.03847	1.1
164.07068	2.5
166.08638	26.5
167.07028	1.8
168.10205	2.3
172.03935	13.8
174.05412	1.9
176.07100	1.5
177.05495	1.6
178.08673	2.2
180.06552	2.0
180.10184	6.2
182.04509	3.2
182.08156	1.3
182.11734	4.2
183.09245	1.0
190.04990	10.8
192.06531	1.3
193.05037	1.2
196.06070	1.6
197.10661	1.7
204.06572	12.6
207.06526	2.5
208.09785	1.4
211.12265	1.5
212.09366	1.6
213.10283	1.2
223.08502	1.4
223.12172	1.5
225.10249	4.3
226.10973	1.8
227.11833	3.0
234.11545	1.2
235.08682	2.6
236.09464	1.4
237.10181	3.9
238.10905	1.6
239.08049	1.6
239.11876	1.7
241.09506	1.6
241.13403	1.4
243.14536	1.1
249.10236	7.2
250.07146	1.6
250.10933	2.0
251.08133	3.8
251.11806	3.1
253.09724	2.8
255.11259	3.6
257.12686	1.1
259.14499	1.2
261.15851	1.3
263.08038	3.0
263.11722	1.1
264.08969	2.9
265.09717	6.6
266.10483	3.0
267.07684	2.6
267.11261	3.8
269.09238	1.1
269.12845	3.3
271.10825	3.1
273.12454	1.8
277.09732	7.2
278.10352	1.2
279.08005	1.5
279.11316	5.8
281.09213	2.1
281.12808	4.3
282.09958	1.3
283.10736	2.9
285.12326	2.4
285.16730	1.1
287.13931	11.3
289.09598	1.5
291.07813	4.9
291.10788	1.3
293.09161	5.0
293.12506	1.3
294.09726	1.3
295.10834	2.9
297.12213	5.0
299.10324	1.4
299.13873	2.6
305.09445	1.7
307.10709	5.2
309.08640	6.7
309.12296	3.4
311.10263	4.0
311.13818	2.3
313.15414	3.0
317.14914	3.9
323.10226	16.8
324.10754	2.1
325.11896	9.2
326.12930	1.2
327.09769	1.2
327.13657	2.0
328.14261	1.6
329.15140	1.4
337.07855	1.2
337.11667	3.7
339.09558	2.9
339.13516	5.2
340.14569	1.4
341.11325	3.5
341.15021	1.8
343.13016	2.4
344.13535	1.6
351.09741	6.7
353.14984	1.4
354.12131	2.4
354.16006	2.4
355.13089	5.9
356.13892	3.3
357.14474	6.1
358.15707	1.6
359.16138	1.3
365.11264	1.7
367.12924	1.9
368.14117	2.2
369.14688	2.1
370.15350	3.3
371.16019	7.9
382.10901	1.2
382.15427	2.7
383.12350	3.7
386.14713	1.3
396.13245	1.5
398.14737	2.3
400.16684	2.9
401.13370	1.5
402.14191	1.5
403.14813	1.3
410.14914	2.2
412.16699	1.9
413.13483	1.4
414.13974	1.9
414.18610	1.8
415.14941	7.9
415.74344	1.2
416.15839	3.1
418.17639	2.2
426.13983	1.6
428.16150	5.9
429.17041	1.6
430.17865	2.3
438.14548	5.0
442.18231	1.5
444.15536	4.0
449.19519	1.2
450.20105	1.7
455.14859	1.1
456.15219	9.8
457.16064	1.4
458.17126	6.7
459.17459	1.4
460.18399	1.9
470.17133	2.1
472.18637	1.8
474.19849	2.4
476.18042	4.1
486.16483	4.5
487.16965	3.7
488.18188	6.1
490.19687	4.7
500.18134	6.1
501.18561	2.8
502.18704	1.2
504.17590	12.0
508.20856	1.2
516.17273	1.5
518.19373	16.0
519.19177	1.5
520.20453	3.2
522.18744	1.9
536.12549	1.3
536.20398	16.6
550.21924	8.7
554.21021	4.8
568.23077	12.1
581.24158	1.4
582.24615	5.8
609.22644	1.5
641.26117	37.7
642.26801	1.2
659.26935	2.5
673.28906	11.5
680.24518	7.4
698.24963	2.6
712.26837	15.4
744.29700	35.3
803.31378	18.8
835.34271	6.7
842.29346	3.5
874.32373	47.0
875.32281	2.9
906.34979	100.0
907.34241	4.0
929.32251	1.6
965.35693	3.6
1029.37659	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
71.20469	1.4
79.05495	1.5
80.05016	0.7
81.03413	3.7
85.02892	3.4
86.09731	0.9
87.00822	1.2
89.03906	0.8
91.05487	1.8
92.04964	0.8
93.05748	0.8
93.07021	1.8
94.06549	4.3
95.07364	1.0
96.08137	3.3
97.02891	2.7
99.04430	1.2
105.07063	1.2
106.06564	1.4
107.04959	1.2
107.07315	1.2
108.04469	1.5
108.08134	7.2
109.02880	3.1
110.09687	4.6
116.05006	1.5
118.06562	0.9
119.04952	1.3
120.04469	2.6
120.08099	5.8
122.06016	6.6
122.09673	1.1
124.07554	3.5
127.03906	4.7
131.04955	0.7
134.06021	2.0
136.07587	8.4
137.05960	1.5
138.05513	1.1
138.09145	5.5
141.96317	0.7
144.04451	3.6
145.02925	0.8
146.05980	5.3
147.04401	1.6
148.07578	3.3
150.09186	2.0
151.04005	0.9
152.07037	1.2
160.03983	2.4
162.05524	3.3
163.03935	1.6
164.07057	1.8
166.08640	13.0
167.07120	1.8
172.03941	18.7
174.05554	3.0
175.03941	1.3
176.07114	2.0
177.05519	2.4
181.04860	0.8
182.09715	1.3
183.09204	0.9
186.05527	1.3
188.07071	0.9
190.05013	10.1
197.10826	2.1
199.12338	3.5
204.06552	29.2
207.06480	1.8
207.09312	0.8
209.10754	0.9
210.09335	1.2
211.08757	2.0
211.12434	0.7
212.09424	2.4
213.10266	0.8
222.07678	1.9
223.08731	1.2
224.09462	1.0
225.10205	8.0
226.10973	1.7
227.11781	23.7
235.08691	1.1
236.09456	1.3
237.10184	3.6
238.11172	1.4
239.11845	2.4
241.09761	1.0
241.13478	1.8
242.06207	0.8
243.11440	0.8
249.10179	2.5
250.10988	1.0
251.08224	1.1
251.11850	3.9
252.08856	1.1
253.09680	5.9
253.13477	0.9
255.11319	1.8
261.10168	1.0
263.08136	1.8
263.11942	1.2
264.09058	1.4
265.09830	4.6
267.11328	4.3
269.12842	7.9
271.10718	9.9
273.12430	3.0
277.09756	2.7
278.10526	1.4
279.11295	5.7
281.09409	0.9
281.12918	0.9
283.10724	1.8
284.11810	1.3
285.12381	6.0
287.13980	2.2
289.13055	1.0
295.10754	1.6
297.12289	6.2
299.14130	1.0
305.09232	1.5
307.10782	2.1
311.14432	1.1
312.15259	1.0
313.13062	0.8
315.13803	1.7
316.14575	1.8
323.10251	2.3
325.11777	9.7
326.13007	1.4
326.16675	1.6
327.13995	1.8
327.17447	1.4
328.10959	1.1
328.14597	2.2
329.15298	1.3
330.12576	1.3
330.16159	3.1
331.16901	2.6
339.13422	2.3
341.11703	1.5
342.12515	6.5
342.16162	2.0
343.13123	4.7
344.14127	1.7
344.17773	1.4
352.14471	1.1
353.12845	0.9
354.12265	1.1
354.16269	1.1
355.13007	2.0
356.13977	6.5
357.14529	13.9
358.15518	6.9
366.16010	1.2
367.13235	1.3
369.14725	2.0
370.11676	1.2
370.15646	7.4
371.16254	2.2
372.17139	2.1
373.17670	2.2
380.14008	2.0
382.11694	5.9
383.12601	3.0
384.13092	4.5
384.16254	1.0
384.17606	1.7
385.13892	1.6
386.14859	3.3
386.19135	1.4
388.16769	1.2
394.15500	1.9
396.13058	0.9
397.14502	1.4
398.14944	26.1
399.15768	27.0
400.16739	3.2
401.16949	0.8
404.16174	2.3
409.14117	1.5
412.16605	3.5
414.18225	1.9
416.15781	4.3
419.18155	11.8
420.18518	0.9
422.15244	1.6
428.16125	1.0
430.17636	1.7
440.15976	6.6
455.14496	1.2
458.17102	4.8
472.22577	0.9
476.22290	0.9
490.20029	4.6
500.18283	0.9
502.19745	5.4
514.20038	1.4
516.21454	2.3
518.22900	2.1
522.22644	1.5
526.19861	2.9
532.20807	1.5
536.20398	1.5
544.20850	8.9
546.22192	0.9
548.20251	2.1
555.16376	1.3
560.20380	2.8
562.21350	2.0
573.17322	8.1
578.21368	11.7
590.21332	40.0
591.20795	2.3
593.24310	1.0
605.20117	1.9
610.24445	1.8
622.23785	9.6
654.26025	0.8
655.27637	1.7
697.28540	2.1
701.28149	1.3
715.29706	1.7
725.28162	8.4
743.29193	100.0
744.29474	3.9
775.31964	12.0
905.34259	3.9
947.35443	3.7
949.33154	1.4
973.33301	1.4
991.34412	24.7
992.34399	1.0
1023.36823	3.4
1038.74316	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41869	1.3
56.05033	16.1
56.96563	12.1
57.04569	2.0
58.96160	4.4
59.06123	34.6
59.96189	1.6
59.99938	2.6
60.04522	12.6
60.95858	8.3
64.95881	1.6
67.93224	1.4
71.17641	3.5
72.08149	2.9
74.06076	4.6
77.00833	1.7
78.00977	1.9
78.19968	1.7
83.01522	4.8
83.06072	2.9
84.01201	2.1
84.04495	5.5
84.06863	1.4
87.02489	1.7
88.02363	2.5
88.08953	1.6
100.02479	5.3
100.97215	1.7
101.00871	12.5
101.02554	37.9
101.07132	10.4
102.02220	16.8
117.86093	1.6
118.03515	2.4
119.01919	100.0
119.03615	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	102.0918
Annotation	5-Aminopentanal
Peak:m/z	Relative Intensity
53.03947	6.1
55.05515	3.1
56.05033	100.0
56.96568	4.2
57.03434	8.2
57.05350	2.1
57.07074	20.8
58.02917	0.6
58.06594	2.3
59.04990	1.1
59.06121	6.3
60.04522	11.2
60.05842	0.6
60.06461	2.8
60.95852	4.4
61.04854	0.7
62.06089	3.0
65.03918	1.2
66.82352	0.5
67.05174	0.9
67.05503	15.5
68.05011	0.6
68.19112	0.5
68.62352	0.5
69.05788	1.7
70.18817	2.2
72.08134	0.7
73.04012	0.7
74.02431	1.6
74.06071	4.1
75.05611	0.9
77.03918	1.0
79.01830	0.5
81.03400	0.7
82.05316	0.5
82.06582	2.6
84.04503	20.7
84.06425	0.7
84.08140	38.1
85.02901	28.8
85.04831	1.6
85.06541	37.8
85.07633	1.1
85.08469	0.6
86.06049	2.1
88.02377	1.2
95.04964	12.8
97.02910	1.1
102.04688	2.9
102.05524	16.8
102.06601	0.6
102.07438	1.0
102.09180	4.1
103.03929	2.1
103.05465	25.5
103.08695	6.3
105.04491	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05467	2.4
81.03413	3.1
81.07059	3.1
82.06549	2.0
85.02893	3.5
86.09669	1.7
86.64390	1.9
87.00839	2.2
91.05463	4.3
93.07048	4.2
95.08627	3.1
96.08109	2.8
97.02887	3.4
99.04436	2.7
103.05433	2.6
106.06535	1.6
107.07365	2.3
108.08109	6.5
109.02905	2.9
110.09658	5.1
113.16039	1.5
118.06544	2.4
120.04462	2.4
120.08096	6.5
122.06013	5.5
123.04411	1.8
124.07614	3.6
127.03900	5.1
133.18930	2.2
135.30528	1.9
136.07582	7.5
137.06003	3.2
138.09126	5.1
141.96788	1.5
144.04440	3.7
146.05980	3.6
148.07538	3.2
150.09090	2.3
161.98801	1.7
164.07184	1.9
165.09029	3.5
166.08580	11.7
167.07092	2.6
171.09171	1.8
172.03903	14.0
175.03877	2.2
177.05380	1.8
181.05060	2.2
190.04939	11.4
197.10777	2.0
204.06552	23.5
207.06551	2.7
211.77626	1.8
225.10257	6.8
227.11813	22.7
237.10201	2.7
239.11852	2.3
251.11916	3.1
253.09807	2.9
263.08182	3.4
264.08774	2.7
265.09775	5.5
267.11304	4.5
269.12802	7.5
271.10699	8.6
273.12231	2.9
277.09659	2.8
279.11169	4.7
285.12430	2.8
287.13794	2.8
296.11502	1.9
297.12387	7.1
303.04926	1.7
314.12897	2.7
323.10257	2.1
325.11786	6.4
331.16815	2.6
342.12329	5.5
343.13083	4.8
344.14142	3.3
355.13171	2.4
356.13916	5.9
357.14496	12.5
358.15561	6.9
369.14581	2.1
370.15540	6.8
371.15707	2.7
372.17191	2.5
382.11716	4.4
382.49701	1.7
383.12436	3.0
384.13318	4.0
384.17798	1.7
386.18958	1.9
397.14355	2.3
398.14975	22.9
399.15802	26.3
400.16702	3.2
404.15894	2.1
412.16458	3.7
416.15781	3.4
419.18100	9.2
430.17349	2.4
440.16122	4.8
458.16949	4.7
474.12115	1.9
476.21539	2.2
490.19452	4.3
502.19666	3.2
516.21478	2.0
526.19812	2.2
536.20001	2.8
544.20526	6.2
548.20203	2.4
560.19287	2.5
572.20056	3.1
573.16980	7.8
578.21088	13.1
590.21362	40.5
605.19513	2.4
622.24438	9.2
639.05396	1.8
715.29224	2.9
725.28027	6.9
742.13538	2.2
743.29169	100.0
744.29456	2.8
775.31824	12.4
851.20270	2.3
947.36499	3.6
991.34717	26.1
1023.36395	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	999.5896
Annotation	Unknow
Peak:m/z	Relative Intensity
70.12412	0.4
70.33730	0.5
70.34769	1.3
71.01250	10.4
72.99175	1.0
73.02807	1.3
78.95775	2.7
79.05394	0.8
79.95615	2.6
82.15514	0.4
83.01260	1.3
83.04892	0.4
84.02045	3.8
85.02811	3.3
87.00733	1.9
89.02311	8.5
95.01254	0.9
96.95888	41.6
96.96774	2.1
97.02810	2.3
97.06464	2.8
98.19917	0.5
99.04389	1.1
101.02316	8.0
113.02319	4.4
119.03359	1.9
121.00391	0.4
125.02341	2.9
125.06052	0.5
131.03380	0.5
132.36769	0.5
143.03352	1.1
149.50963	0.4
153.09288	0.4
155.10623	0.4
161.04417	2.1
166.23712	0.4
171.10184	6.4
177.12784	0.5
179.05533	2.6
183.13847	6.6
184.14066	0.5
193.12224	3.1
199.06076	0.5
200.42470	0.5
202.33551	0.4
211.13339	11.9
221.06569	1.1
225.14877	4.3
235.08151	3.3
243.15923	2.1
253.09280	1.2
265.18063	0.6
277.21716	25.3
278.22092	1.2
279.23349	0.5
287.07816	0.9
291.19638	1.5
305.08682	0.9
305.21472	0.6
323.09763	0.8
323.22263	1.4
341.23291	100.0
342.23663	3.9
365.23688	0.5
379.12430	1.3
397.13501	27.6
398.13861	0.7
415.14539	9.9
601.44751	2.6
675.35699	1.7
721.36816	2.1
739.37878	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	999.24
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01244	1.5
71.58260	0.8
79.33074	0.6
83.01239	0.8
85.02820	5.4
87.00734	3.2
93.03346	4.2
107.01259	1.5
108.02055	0.8
109.02806	1.4
111.04386	1.9
121.02824	1.3
125.02294	0.8
127.03898	1.1
135.04387	1.0
146.03679	0.7
148.01573	0.9
151.00294	7.3
155.03444	1.5
158.03601	0.9
159.04410	2.7
161.02312	1.0
163.00270	1.6
164.01070	0.8
169.01357	0.6
171.02922	0.8
172.05200	3.3
173.04460	5.5
173.05972	2.8
174.03134	2.3
178.99831	3.2
179.03519	0.8
183.04434	1.1
187.03883	2.9
187.07568	24.5
188.07892	1.2
191.05531	47.7
192.05841	1.1
196.02492	0.6
197.06029	1.1
199.03973	1.1
200.04765	1.7
201.05484	3.1
202.06271	7.5
203.10701	0.8
204.04300	0.8
211.04022	0.9
211.07687	0.9
213.09154	13.8
214.09520	0.7
215.07100	11.8
216.04073	0.7
216.07683	1.1
226.02757	1.4
227.03459	3.3
229.08649	3.1
231.06508	2.9
231.10213	19.9
232.10614	0.9
239.03473	1.0
243.02946	8.7
244.03546	1.1
245.04410	0.8
254.02113	2.3
255.02950	22.0
256.03348	1.3
257.08179	21.7
258.08539	1.0
271.02454	49.5
272.02844	4.5
273.03989	1.2
275.09244	26.7
299.01880	1.4
300.02728	90.7
301.03445	27.2
302.03766	2.2
405.12167	1.0
431.13455	5.9
449.14496	39.0
450.14853	3.0
463.08557	3.2
503.08789	0.8
505.09863	100.0
506.10104	9.3
507.10410	1.0
657.73779	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03324	1.0
69.35744	7.1
69.64915	0.8
71.01248	24.2
71.01608	1.8
72.99179	2.1
73.02813	6.6
80.04923	2.3
83.01247	2.0
85.02827	10.4
87.00751	8.0
89.02314	14.0
93.03341	1.4
95.01272	2.2
96.95871	2.7
99.00745	2.4
101.02318	18.5
106.06499	5.2
107.03646	1.2
108.04482	2.2
113.02338	11.6
119.03380	5.6
120.04411	1.3
122.06001	8.5
125.02354	3.2
131.03339	4.6
132.04443	3.0
134.03622	1.0
134.06010	26.3
135.04413	2.0
136.07607	2.1
143.03369	1.1
148.03955	1.4
149.02364	1.2
149.04477	1.7
150.02997	1.0
151.00310	1.6
152.07057	7.6
158.05991	1.0
159.02911	1.1
159.05533	1.1
160.03900	1.5
160.06323	1.2
161.02330	1.1
161.04482	6.9
165.01619	1.0
172.89024	0.9
173.04507	2.7
175.03772	1.3
179.03404	1.9
179.05557	2.1
180.06660	1.4
181.05014	1.5
188.07063	2.7
190.04962	2.7
191.05585	6.3
211.08720	1.2
213.10287	5.8
221.06596	5.5
223.08742	1.1
225.10254	3.5
235.08745	1.7
236.06126	0.9
237.10254	3.2
239.11882	6.0
241.09657	0.9
241.13469	2.5
249.10275	2.6
250.07558	1.8
251.08226	3.4
251.11874	4.4
252.08972	2.3
253.09889	6.8
262.07770	1.1
263.08209	5.2
264.08917	2.8
265.07101	1.0
265.09760	5.7
267.11343	6.3
276.09076	1.4
277.09781	6.4
278.06952	2.3
278.10559	4.3
279.07791	6.3
279.11356	9.6
285.12421	7.4
289.09949	1.3
289.82782	1.2
291.08011	1.3
291.11472	2.4
292.08578	3.7
293.09366	15.0
293.12732	1.5
294.09937	3.5
295.10831	6.9
300.02255	1.2
305.09119	6.4
306.10074	1.6
307.10837	5.2
309.12335	1.3
314.12555	2.2
321.08801	3.8
321.12247	1.5
333.08731	1.5
337.08359	2.1
339.09845	6.4
342.12921	1.2
343.12915	1.3
351.09818	3.8
358.15613	4.4
372.17197	1.9
382.15762	1.6
384.13486	2.6
396.13147	1.7
397.14169	1.9
398.15088	3.5
400.16669	5.8
410.15195	1.1
412.16724	3.4
414.18253	1.1
424.16556	1.6
425.17371	1.5
440.15790	1.6
444.15518	1.8
458.17419	1.8
468.15717	2.4
476.17627	1.5
486.16663	3.7
620.23035	1.9
638.24048	1.2
664.21521	1.5
679.23627	1.5
742.91333	1.3
782.28424	1.7
784.29706	1.5
792.25201	1.2
800.28864	7.0
801.29767	4.3
810.27319	3.4
828.28363	19.9
833.32910	3.4
842.29376	2.3
860.31653	2.4
874.33221	5.0
889.35315	3.5
933.34186	38.7
934.34845	5.8
965.36591	100.0
966.37109	18.1
997.39417	27.8
998.39050	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	997.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03324	1.0
69.35744	7.1
69.64915	0.8
71.01248	24.2
71.01608	1.8
72.99179	2.1
73.02813	6.6
80.04923	2.3
83.01247	2.0
85.02827	10.4
87.00751	8.0
89.02314	14.0
93.03341	1.4
95.01272	2.2
96.95871	2.7
99.00745	2.4
101.02318	18.5
106.06499	5.2
107.03646	1.2
108.04482	2.2
113.02338	11.6
119.03380	5.6
120.04411	1.3
122.06001	8.5
125.02354	3.2
131.03339	4.6
132.04443	3.0
134.03622	1.0
134.06010	26.3
135.04413	2.0
136.07607	2.1
143.03369	1.1
148.03955	1.4
149.02364	1.2
149.04477	1.7
150.02997	1.0
151.00310	1.6
152.07057	7.6
158.05991	1.0
159.02911	1.1
159.05533	1.1
160.03900	1.5
160.06323	1.2
161.02330	1.1
161.04482	6.9
165.01619	1.0
172.89024	0.9
173.04507	2.7
175.03772	1.3
179.03404	1.9
179.05557	2.1
180.06660	1.4
181.05014	1.5
188.07063	2.7
190.04962	2.7
191.05585	6.3
211.08720	1.2
213.10287	5.8
221.06596	5.5
223.08742	1.1
225.10254	3.5
235.08745	1.7
236.06126	0.9
237.10254	3.2
239.11882	6.0
241.09657	0.9
241.13469	2.5
249.10275	2.6
250.07558	1.8
251.08226	3.4
251.11874	4.4
252.08972	2.3
253.09889	6.8
262.07770	1.1
263.08209	5.2
264.08917	2.8
265.07101	1.0
265.09760	5.7
267.11343	6.3
276.09076	1.4
277.09781	6.4
278.06952	2.3
278.10559	4.3
279.07791	6.3
279.11356	9.6
285.12421	7.4
289.09949	1.3
289.82782	1.2
291.08011	1.3
291.11472	2.4
292.08578	3.7
293.09366	15.0
293.12732	1.5
294.09937	3.5
295.10831	6.9
300.02255	1.2
305.09119	6.4
306.10074	1.6
307.10837	5.2
309.12335	1.3
314.12555	2.2
321.08801	3.8
321.12247	1.5
333.08731	1.5
337.08359	2.1
339.09845	6.4
342.12921	1.2
343.12915	1.3
351.09818	3.8
358.15613	4.4
372.17197	1.9
382.15762	1.6
384.13486	2.6
396.13147	1.7
397.14169	1.9
398.15088	3.5
400.16669	5.8
410.15195	1.1
412.16724	3.4
414.18253	1.1
424.16556	1.6
425.17371	1.5
440.15790	1.6
444.15518	1.8
458.17419	1.8
468.15717	2.4
476.17627	1.5
486.16663	3.7
620.23035	1.9
638.24048	1.2
664.21521	1.5
679.23627	1.5
742.91333	1.3
782.28424	1.7
784.29706	1.5
792.25201	1.2
800.28864	7.0
801.29767	4.3
810.27319	3.4
828.28363	19.9
833.32910	3.4
842.29376	2.3
860.31653	2.4
874.33221	5.0
889.35315	3.5
933.34186	38.7
934.34845	5.8
965.36591	100.0
966.37109	18.1
997.39417	27.8
998.39050	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	997.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03331	1.8
71.01252	48.4
71.07153	2.3
71.07506	3.3
72.99191	2.5
73.02823	12.3
75.00743	2.1
80.04925	5.0
83.01256	5.0
85.02818	18.0
87.00748	12.4
89.02322	26.0
93.03339	3.2
95.01263	3.8
95.36715	1.2
96.95894	4.6
97.02843	2.3
99.00758	3.5
101.02325	38.6
106.06490	9.7
107.03676	1.7
108.04403	1.9
113.02324	21.4
119.03392	7.5
119.04970	1.6
120.04468	2.4
121.05256	1.9
122.05990	15.3
123.23565	1.4
124.40228	1.4
125.02328	3.5
131.03378	9.3
132.04424	3.3
134.06013	48.1
135.04440	2.9
136.07571	2.3
143.03445	2.7
146.05969	2.1
149.04472	3.5
150.05498	2.3
152.07048	12.5
159.02859	3.0
160.03943	2.4
161.04445	12.0
173.04494	3.8
174.05533	1.9
175.03952	1.8
179.03406	2.5
179.05463	3.5
179.60353	1.6
180.06577	2.8
182.02412	1.3
186.05705	1.6
188.07100	2.8
190.04974	3.0
191.03568	1.7
191.05525	6.3
192.06697	2.5
193.05017	1.6
210.07928	1.5
211.08714	2.6
213.10274	6.9
221.06595	10.7
224.09476	3.0
225.10280	5.7
226.11075	1.6
227.12025	1.7
235.08795	4.2
236.09561	2.9
237.10266	5.6
238.07388	3.2
239.08255	2.2
239.11887	16.5
241.09773	2.9
241.13467	3.0
247.08751	1.6
249.10341	6.3
251.08147	4.5
251.11914	7.8
252.08911	5.5
253.09801	9.8
257.12888	1.9
262.07379	3.3
263.08167	6.2
264.09009	4.6
265.09644	7.9
266.10297	2.7
267.11328	8.0
276.09183	2.0
277.07169	1.6
277.09912	11.7
278.06924	4.0
278.10562	9.0
279.07782	8.4
279.11310	12.2
281.09378	2.1
285.12372	11.3
290.10587	1.8
291.07831	1.9
291.11295	4.3
292.08536	5.2
293.09326	16.6
293.12778	2.6
294.09943	4.8
295.10910	12.2
296.11432	1.4
305.09344	5.1
306.10052	2.3
307.10849	7.0
309.12350	4.0
314.12494	3.5
321.08807	3.5
328.11035	1.9
337.08353	2.2
339.09720	3.9
340.14606	2.7
342.12463	3.7
343.13254	2.5
344.14005	1.9
351.09842	3.5
356.13919	3.1
357.14734	2.2
358.15579	9.7
370.11737	3.1
370.15796	2.3
371.12338	2.4
372.17249	2.4
382.15845	3.3
384.13239	8.4
384.17734	3.6
385.13992	2.9
396.13449	4.0
397.14182	2.2
398.15103	4.8
399.15787	3.1
400.16690	17.2
401.17206	2.3
410.15234	4.7
412.16656	8.1
413.17526	2.2
424.16669	2.6
425.17432	2.3
442.17410	2.4
444.15717	1.9
458.17316	1.9
468.16125	1.9
486.16769	4.7
697.25452	2.2
725.28162	2.2
761.55994	1.7
761.71564	1.8
766.29089	2.7
782.28070	2.6
783.28497	1.7
800.28522	4.0
801.29150	3.5
802.29150	1.7
807.39484	2.3
810.26947	3.5
811.28418	4.5
828.28284	10.9
833.32831	3.5
842.29260	7.0
843.30133	1.8
860.31567	4.4
867.43152	2.3
874.32733	14.8
875.32593	2.3
886.28021	1.6
889.35199	15.2
917.11603	1.8
921.36401	4.5
933.34186	76.8
934.34326	12.3
965.36700	100.0
966.37073	15.7
997.39386	88.9
998.39575	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03309	1.4
69.59981	2.7
71.01250	42.9
72.99180	2.2
73.02814	34.0
75.00739	0.8
81.03327	0.8
83.01250	16.0
85.02339	0.7
85.02822	8.0
85.75158	0.4
87.00741	1.4
89.02319	17.1
93.03321	3.7
95.01252	2.9
95.75159	0.4
96.95860	0.4
97.02817	1.0
98.20528	0.9
99.00730	1.0
101.02320	39.2
102.02641	0.6
106.93206	0.5
107.01266	13.3
108.02078	0.4
113.02322	21.0
117.03321	0.9
119.03421	7.0
119.04908	21.2
120.05303	0.7
120.11537	0.4
121.02894	0.5
125.02328	4.5
125.30489	0.4
131.03374	4.4
135.04312	0.5
143.03412	5.1
143.04480	0.6
145.02885	2.9
149.02415	0.4
149.04448	6.7
151.00269	55.0
152.00629	1.8
155.03404	0.8
161.03185	0.8
161.04459	13.3
161.05807	1.0
164.01013	0.7
165.01842	2.2
169.01318	1.3
175.00252	1.2
177.01804	4.0
178.99699	0.4
179.05492	2.2
185.05952	1.2
187.03943	1.4
191.05594	1.3
193.01305	1.2
196.00070	0.6
203.05501	1.7
205.01402	0.9
208.10364	0.4
221.06668	3.2
227.07072	2.0
235.02380	1.2
269.04575	0.6
271.06104	38.1
272.06339	2.0
291.50232	0.5
313.07138	1.5
313.16562	8.1
331.17535	6.7
331.97586	0.4
339.07001	0.7
349.50241	0.5
373.18655	44.6
374.18896	2.5
459.11386	7.0
574.65680	0.5
579.17139	100.0
580.17535	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	997.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	23.2
71.07956	0.8
71.08293	0.8
72.50343	0.5
72.99175	1.0
73.02818	6.1
80.04922	2.5
83.01264	2.4
85.02818	7.7
85.99974	0.9
87.00742	5.5
88.20345	0.5
89.01806	0.9
89.02315	9.3
94.06499	0.6
95.01253	1.5
97.02811	0.7
99.00741	2.1
101.02318	15.7
104.04957	0.8
106.06495	5.9
107.03629	1.3
108.04381	0.6
113.02329	8.9
119.03377	4.4
120.04442	1.3
120.07990	0.8
122.05994	6.5
125.02325	1.5
131.03404	4.4
132.04459	1.2
134.06010	24.9
135.06351	0.8
136.07555	1.7
143.03369	1.3
148.03943	0.7
149.04402	0.7
150.05463	1.4
152.07051	6.1
159.02933	0.8
160.04012	1.2
160.06337	1.0
161.04449	6.3
162.05481	0.8
173.04587	0.7
174.05542	0.8
179.05528	1.4
180.06558	1.0
187.29617	0.5
188.07094	1.7
190.04979	1.1
191.05452	1.0
211.08701	1.7
213.10249	6.0
221.06587	4.7
223.08722	1.2
223.12390	0.7
224.09521	1.6
225.10274	3.4
226.11023	0.7
227.11859	1.2
235.08672	2.2
236.09296	0.6
237.10307	2.9
238.07407	1.2
239.08241	0.8
239.11899	5.2
241.13420	3.8
247.08891	0.5
248.09505	0.8
249.06931	0.5
249.10207	2.9
250.07402	2.2
251.08258	3.2
251.11847	4.3
252.09013	2.2
252.11980	0.5
253.09793	4.9
254.10428	0.9
261.10388	0.8
262.07391	1.1
263.08188	3.5
263.11722	0.7
264.09009	2.7
265.09827	5.8
266.10559	1.2
267.11313	5.0
275.08347	0.7
276.08951	1.0
277.09821	6.7
278.06961	2.3
278.10553	5.0
279.07697	6.8
279.11337	8.2
280.12122	0.5
285.12436	6.0
289.09915	1.2
290.10541	1.0
291.07745	2.2
291.11273	1.9
292.08502	2.0
293.09378	10.1
293.12628	0.8
294.09955	3.1
295.10840	6.4
296.11554	0.7
305.09341	2.8
306.09958	1.3
307.10858	5.6
309.12421	2.0
314.12396	2.2
321.08994	2.6
321.12317	1.0
324.11102	0.6
328.10904	1.0
328.63263	0.6
330.12601	0.5
333.08710	1.4
337.08328	0.8
337.12097	0.7
339.09857	4.2
340.14450	1.2
342.12402	1.6
343.13193	0.9
344.13971	0.5
346.48782	0.5
351.09796	2.4
354.12491	0.6
355.13147	1.0
356.13934	2.3
356.17761	0.7
357.14929	1.2
358.15588	4.7
359.16202	0.6
367.13394	0.6
368.14133	1.0
370.11526	0.8
370.15549	2.1
371.16522	0.7
372.17166	1.3
382.15686	0.8
383.12524	0.7
384.13153	2.8
384.17767	0.6
385.14124	0.6
386.19034	0.8
396.13281	1.4
397.13943	0.9
398.14691	2.3
400.16586	4.9
410.14996	2.9
412.16623	3.8
413.17191	0.8
414.18021	1.1
424.16592	0.9
425.17389	0.9
426.14249	0.8
427.18985	0.7
440.16040	1.1
440.57907	0.6
442.17514	1.1
444.15430	0.9
458.16959	1.3
463.21341	0.6
466.32022	0.5
468.15518	1.4
476.18079	1.0
486.16684	2.5
502.16364	0.8
545.21832	0.8
563.23138	0.8
679.23572	0.7
764.26428	0.6
766.28363	0.8
782.27710	2.2
800.28760	4.4
810.27472	3.1
811.28040	1.9
828.28387	19.0
829.29199	1.4
842.30060	3.6
847.36176	0.8
860.30640	1.4
874.32581	6.1
875.32959	1.0
889.35193	5.2
915.33704	0.7
933.34076	50.5
934.34302	5.4
947.35266	0.7
965.36615	100.0
966.37018	13.5
997.39185	16.5
998.39404	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	995.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92541	1.3
71.01244	3.2
73.02826	0.9
85.02793	1.2
87.00758	1.3
89.02309	2.1
90.76586	0.3
93.03365	0.3
94.60846	0.2
95.01243	0.3
96.95883	0.8
97.42336	0.3
99.00751	0.3
101.02330	2.6
104.59338	0.2
106.06477	0.3
108.10007	0.3
111.00748	0.3
113.02328	1.4
114.93135	0.2
119.03396	0.7
122.05964	0.4
131.03391	0.8
132.04416	0.4
134.06026	2.2
143.03401	0.4
147.04457	0.3
150.05489	0.5
152.07076	0.5
158.02367	1.2
159.05544	0.3
161.04500	1.2
176.03465	0.7
179.05528	0.9
179.12244	0.3
182.56789	0.3
190.04991	5.9
191.05492	1.2
192.06618	1.4
198.09143	3.4
202.08661	0.6
205.04851	0.3
212.05832	1.1
212.10727	0.3
213.06596	0.6
214.08679	0.6
221.06587	1.1
223.08691	1.0
225.06577	0.8
226.07455	2.2
228.08997	3.9
228.29288	0.3
239.11859	15.5
240.09267	0.3
240.12204	1.0
241.09778	94.2
242.10118	4.8
243.11340	1.8
255.11404	1.6
256.12137	55.7
257.12479	3.1
291.07764	0.5
300.11118	10.9
301.11508	0.7
305.09274	1.1
309.08765	1.0
309.12073	0.4
315.13483	100.0
316.13794	6.4
322.71570	0.3
323.10281	0.9
337.11942	4.7
338.12589	0.6
340.14435	0.3
357.14255	0.5
647.20813	2.4
648.20837	0.5
679.23492	32.4
680.23999	7.2
681.24493	0.4
703.35175	0.5
771.12067	0.3
887.34052	1.7
919.36145	0.9
923.35748	0.3
938.22424	0.3
963.34076	0.4
995.37872	5.4
996.38049	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.6768
Annotation	Unknow
Peak:m/z	Relative Intensity
68.48816	0.1
70.70615	0.3
71.01242	1.3
72.99176	0.1
73.02824	0.2
83.04897	0.2
85.02829	0.4
87.00744	0.2
89.02335	0.8
101.02293	1.2
101.04443	0.1
113.02338	0.8
119.03405	0.3
127.07561	0.2
149.22980	0.1
161.04420	0.6
177.12770	0.1
179.05533	0.3
183.13815	5.2
184.14090	0.2
195.13835	8.3
205.19571	0.2
211.13483	0.2
213.14897	47.5
214.15242	1.7
233.22636	0.4
235.08174	1.0
251.93236	0.1
253.09244	10.5
254.09576	0.3
259.20612	0.4
275.20291	0.4
277.21704	100.0
278.22043	5.8
419.86841	0.2
431.22864	0.3
449.23792	0.7
473.36365	3.4
474.36856	0.4
513.30493	0.2
606.34650	0.1
855.93756	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
68.93981	0.9
69.31326	9.1
86.16483	0.8
96.95892	1.1
107.01252	2.1
109.02825	1.4
124.42900	0.8
128.16805	0.9
134.11836	0.9
135.04443	1.2
143.49802	0.8
148.01602	1.1
151.00308	7.7
163.00294	1.5
178.99751	2.9
191.03455	2.6
191.05544	1.3
203.03377	1.1
211.03963	1.7
226.02695	1.5
227.03429	2.6
227.05540	1.0
243.02945	8.3
244.03316	0.9
254.02248	1.5
255.02960	22.2
256.03543	1.1
271.02451	48.2
272.03052	3.1
273.04239	1.1
299.02008	1.8
300.02728	100.0
301.03424	28.6
301.06888	1.4
341.02710	1.5
364.67719	1.0
373.13022	0.9
460.38440	1.0
463.08951	6.0
503.08685	1.6
505.09860	95.0
506.10333	8.3
795.90833	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5735
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99668	0.2
69.03330	1.8
70.60655	0.5
70.61051	0.6
71.01251	16.1
71.04876	0.7
72.99178	1.4
73.02824	2.6
75.00758	0.3
78.95764	0.3
81.03324	0.6
83.01252	2.4
83.04881	0.6
84.02023	0.9
85.02819	11.8
85.06437	0.7
87.00732	3.5
87.04379	0.5
89.02316	12.5
95.01248	0.9
95.04904	0.5
96.95897	1.3
97.02826	3.2
97.05928	0.4
97.06464	2.9
99.00725	0.8
99.04430	0.4
101.02319	12.2
109.02831	0.3
109.06421	0.4
111.00699	0.3
111.04373	0.7
112.28910	0.2
113.02325	7.0
113.33933	0.3
119.03366	3.4
125.02328	4.8
125.05971	1.0
125.09579	0.6
127.11179	0.8
131.03378	0.8
137.09593	1.2
139.03885	0.6
141.09032	0.3
143.03392	1.9
145.04953	0.6
149.04408	0.5
152.99474	0.5
155.10678	0.6
161.04475	3.3
171.10176	17.0
172.10544	0.5
177.12756	0.3
179.05502	2.7
183.13821	12.1
184.14177	0.5
185.04372	0.3
185.11716	0.3
193.12239	0.6
195.13913	0.8
197.11833	0.4
201.11237	0.9
209.11862	0.3
211.13329	10.3
221.06628	1.1
221.11736	0.6
223.16913	0.7
229.14384	3.8
233.15416	0.8
235.08194	3.6
239.12778	0.7
239.16563	0.5
247.20667	0.4
251.16516	2.5
252.17004	0.3
253.09293	2.2
255.23166	0.4
263.07605	0.5
267.84589	0.4
269.17679	1.5
277.21707	32.2
278.22128	1.9
287.07733	1.2
291.19629	4.5
292.20108	0.3
294.40259	0.3
303.79440	0.3
305.08817	1.3
309.20679	8.9
310.21017	0.7
323.09875	1.1
327.21747	100.0
328.22107	6.5
379.12427	0.5
397.13492	39.6
398.13776	2.7
415.14551	15.3
416.14850	0.9
553.20575	0.3
587.42920	2.0
675.35962	2.9
676.36090	0.4
707.35083	4.5
708.35541	0.5
725.36072	2.6
749.60828	0.3
920.09979	0.3
985.57141	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	18.0
72.99187	1.2
73.02815	4.0
80.04927	1.7
83.01245	1.2
85.02814	6.5
87.00761	5.6
89.02314	7.8
93.03329	1.2
95.01254	2.0
96.95860	1.0
97.02856	0.8
98.20540	2.0
99.00766	2.0
101.02315	12.0
104.04974	1.0
106.06516	4.6
108.04415	1.9
113.02331	6.7
119.03382	2.3
122.05970	4.5
125.02325	2.3
126.18043	0.8
131.03430	3.5
132.04451	2.0
134.03679	1.9
134.06015	19.0
135.04396	2.5
136.07564	2.0
146.05963	1.2
149.04439	0.9
152.07082	5.2
158.06009	0.7
159.02869	1.5
160.03961	1.9
161.04449	3.2
162.05557	0.9
173.04489	2.2
174.05551	1.0
179.03447	1.7
179.05487	1.6
180.06529	3.0
186.05515	1.1
188.07077	3.2
190.05026	0.9
191.05473	2.7
211.08693	2.1
213.10255	0.9
221.06598	3.1
223.08655	1.3
223.12294	1.4
224.09441	1.2
225.10303	4.5
227.11917	2.3
235.08667	1.5
236.09453	1.0
237.06784	0.9
237.10193	2.0
238.07372	1.5
239.08199	1.0
239.11806	3.8
241.09782	1.2
249.10222	2.5
250.07491	1.0
251.08255	5.1
251.11847	3.5
252.09038	3.1
253.09776	7.3
257.12985	2.5
258.13327	1.1
263.08185	2.7
263.11429	0.7
264.08932	4.0
265.09665	4.0
266.10388	1.4
267.11313	6.9
277.09766	3.0
278.07043	1.4
278.10345	1.5
279.07739	5.9
279.10995	6.3
280.08365	1.3
280.12128	0.8
281.09222	1.0
285.12354	1.1
291.07635	1.5
292.08493	3.8
293.09265	10.7
294.09952	2.5
295.10867	12.8
296.11426	1.4
301.11829	1.5
302.12360	0.9
305.09299	3.2
307.10898	10.3
308.11172	1.4
309.12469	1.1
314.12424	1.6
321.08728	5.0
323.10181	1.1
333.08652	1.9
339.09845	6.3
341.11487	0.8
342.12311	1.0
351.09900	4.4
372.17166	1.1
385.14319	0.8
398.15045	1.1
400.16583	2.5
410.14920	1.3
412.16794	1.5
414.18222	1.2
440.16025	1.5
442.17438	1.3
458.17285	2.6
468.15698	3.2
476.17834	1.0
486.16498	2.3
659.32794	0.9
701.97046	0.7
782.27698	3.0
784.31659	0.8
800.28497	4.0
810.27448	1.6
828.28271	100.0
829.28564	9.4
832.31836	1.0
860.30896	79.5
861.31512	8.5
933.33746	7.1
934.34924	0.9
940.98492	0.8
951.35223	8.7
952.36096	1.1
959.73120	0.8
965.37518	4.3
966.37268	1.0
983.36023	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57140	0.7
69.57568	0.7
71.01254	2.7
72.99178	0.3
73.02817	0.8
73.07117	0.2
76.60301	0.2
79.05415	0.4
83.01246	0.2
84.04392	0.3
85.02843	1.0
87.00735	0.9
89.02316	2.1
93.03319	0.3
95.04888	0.5
99.00722	0.2
101.02321	2.7
104.04900	0.2
105.07007	0.3
106.06487	0.3
107.03653	0.6
108.04443	0.8
112.64065	0.2
113.02320	1.1
116.04924	0.2
119.03381	0.8
120.04436	3.4
121.05235	2.9
122.06003	8.1
123.06342	0.2
125.02311	0.4
130.02884	0.6
131.03378	0.8
132.04433	0.5
134.06004	5.1
135.06799	1.5
136.07578	15.3
144.04489	0.3
146.06036	0.5
148.03928	0.5
148.07568	0.4
150.05489	0.7
152.07077	0.7
158.02383	3.0
158.06056	0.3
160.03935	0.6
160.06323	0.3
161.04498	1.0
161.07085	1.5
162.05492	0.8
171.11708	2.9
172.07591	0.3
173.04506	0.6
176.03421	0.8
179.03334	0.2
179.05527	0.6
184.07561	0.6
185.08347	0.2
186.09213	1.0
187.12674	0.2
189.10277	0.6
190.05019	10.9
191.05530	1.0
192.06613	1.0
198.09187	2.5
199.09995	2.3
200.05894	0.3
201.06644	0.3
204.06445	0.2
211.05283	0.2
212.10912	0.2
213.06628	0.4
214.07384	1.0
214.12311	13.3
215.09460	0.3
215.12579	0.6
221.06586	0.8
223.08636	0.3
225.06645	0.8
226.07338	1.3
227.08195	3.7
228.08897	1.3
229.09769	6.2
230.06940	0.5
230.10022	0.3
230.11838	5.0
239.11800	0.6
241.07272	0.3
241.09787	10.7
242.10556	21.1
243.10837	1.1
249.10242	0.2
252.68510	0.2
255.11430	0.5
256.12146	0.8
257.12921	100.0
258.13254	4.8
271.02698	0.2
274.09698	0.4
277.09631	0.2
283.10883	3.4
284.11246	0.2
291.07718	0.3
293.09244	0.5
294.09943	0.2
295.10846	0.3
300.11069	0.4
301.11911	83.2
302.12244	4.0
305.09244	1.0
309.08789	0.7
309.12198	0.4
314.12296	0.4
321.94858	0.2
323.10272	0.8
337.11911	4.4
338.12540	0.8
339.13522	0.3
374.41180	0.2
463.17041	0.6
476.17676	0.3
517.18311	0.3
578.71497	0.2
587.20221	0.3
647.20990	2.6
648.21246	0.4
650.84137	0.2
679.23492	45.5
680.23920	5.6
680.35547	0.2
710.93805	0.2
714.63654	0.2
744.82141	0.2
745.18793	0.2
801.29059	0.3
827.27966	0.5
858.28772	0.4
859.29285	0.3
877.30829	0.4
905.34491	0.6
909.34259	0.5
937.36359	1.2
949.33600	1.2
950.33752	0.3
963.35651	0.2
981.36115	4.5
982.36072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	1.7
71.58291	1.4
83.01237	1.1
89.02323	1.0
93.03316	1.4
93.40682	0.8
107.01301	1.2
108.02070	1.4
109.02861	1.8
113.02328	1.0
121.02830	2.9
122.05974	1.1
136.07616	1.1
137.02318	1.0
141.28262	0.7
142.84653	0.7
149.83737	0.8
151.00267	6.4
161.05977	0.9
162.06726	0.9
163.00333	0.9
163.80542	0.7
165.05405	0.7
178.99748	2.7
190.05038	1.9
191.05533	2.1
199.03947	1.2
211.03986	1.3
226.02625	1.2
227.03366	1.5
228.21977	0.7
238.19351	0.7
243.02962	6.9
254.02283	1.8
255.02959	16.6
271.02460	40.2
272.02893	3.6
283.02325	1.0
299.01883	2.6
300.02737	77.0
301.03430	23.8
302.03909	0.8
361.16571	7.1
463.08783	2.2
505.09860	100.0
506.10233	9.8
636.05115	0.8
679.23474	2.8
938.65369	0.9
951.33929	1.4
983.39349	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86885	0.7
69.87282	1.0
71.02085	0.3
73.02827	0.5
83.01273	0.6
85.02831	0.3
89.02360	0.4
91.65566	0.3
93.03349	1.2
93.80562	0.3
96.95914	0.5
107.01251	1.9
108.02071	0.5
109.02855	1.1
113.02286	0.5
117.44512	0.4
117.70885	0.3
121.02843	0.8
132.02087	0.7
135.00789	1.3
143.04938	0.4
148.61560	0.4
151.00273	4.8
163.00288	1.7
165.01779	0.6
173.04396	0.4
178.99756	2.0
185.05977	0.6
187.03870	0.7
189.05420	0.6
191.03325	0.5
191.05566	0.9
192.00641	0.6
199.03946	0.6
211.03931	1.4
213.05482	0.7
215.03462	0.5
227.03447	19.5
228.03885	1.2
229.04985	3.7
238.39372	0.4
238.92880	0.4
239.03397	1.0
240.04181	0.6
241.04855	0.5
243.02963	2.4
245.04547	1.1
254.02084	0.8
255.02963	53.2
256.03464	3.4
257.04446	2.2
257.12970	1.6
271.02472	13.3
271.05490	0.6
272.02985	1.0
273.04126	0.4
283.02365	0.7
284.03250	83.5
285.03970	26.9
286.04340	1.2
299.01913	0.4
300.02744	21.1
301.03506	14.5
301.11975	1.1
302.03827	0.6
327.05215	0.4
361.16367	0.4
447.09283	28.3
448.09525	2.0
475.88669	0.4
489.10370	100.0
490.10818	7.0
505.20630	0.8
506.21143	1.3
524.21973	0.6
566.22937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.362
Annotation	Unknow
Peak:m/z	Relative Intensity
68.32612	0.2
69.46640	1.9
71.01245	3.8
73.02819	1.1
79.05411	0.6
79.52682	0.2
83.01238	0.6
83.89644	0.2
85.02836	1.6
87.00742	1.2
89.02317	2.4
93.03364	0.5
94.26467	0.3
95.04892	0.9
96.95886	1.2
101.02319	3.0
104.04839	0.3
106.06541	0.3
107.03637	0.6
108.04432	0.7
110.05975	0.3
113.02332	1.7
119.03387	0.9
120.04443	2.7
121.05218	2.4
122.06007	7.8
125.02284	0.3
130.02867	0.8
131.03371	0.6
132.04460	0.6
134.06004	5.0
135.04376	0.6
135.06813	1.9
136.07578	16.0
137.02367	0.3
137.07909	0.6
146.05995	0.3
148.03912	0.8
148.07555	0.6
149.04419	0.3
150.05499	0.7
152.07082	1.0
155.03362	0.3
158.02371	2.6
158.06059	0.3
159.02817	0.4
159.05580	0.3
160.03929	0.6
160.06258	0.5
161.04466	1.1
161.07118	1.5
162.05511	0.8
171.11707	2.9
172.07527	0.5
173.04488	0.8
176.03435	1.2
179.03374	0.5
179.05515	0.9
184.07574	0.5
186.09184	1.0
188.78288	0.3
189.06656	0.3
190.05019	11.5
191.05507	1.6
192.06546	0.9
192.81898	0.3
198.09227	2.8
199.10030	2.3
200.10158	0.3
214.07443	0.9
214.12311	15.0
215.12639	1.0
216.06577	0.3
216.09106	0.3
221.06595	0.9
225.06578	0.7
226.07463	1.4
227.08221	3.3
228.08965	1.0
229.09781	5.5
230.07045	0.5
230.09677	0.4
230.11833	5.4
231.12277	0.3
239.11870	0.8
241.09795	11.4
242.10562	20.7
243.10872	1.1
255.11542	0.3
256.12140	1.2
257.12924	100.0
258.13272	4.8
271.02283	0.4
274.09671	0.5
283.10910	0.7
293.09387	0.3
295.10962	0.4
300.11136	0.4
301.11914	88.2
302.12228	5.4
305.09378	1.3
309.08820	0.7
309.12155	0.3
323.10330	0.7
337.11960	4.5
338.12552	0.8
355.13095	0.3
360.89285	0.3
393.19150	0.4
435.20132	0.5
647.21082	2.3
679.23517	51.1
680.23871	7.2
680.35590	0.3
905.34637	0.6
937.37347	1.1
949.33740	1.2
981.36182	4.6
982.36194	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50484	0.4
71.01264	0.5
71.58980	0.6
74.31953	0.3
83.01252	1.8
85.02840	0.5
89.02294	0.4
93.03329	0.7
96.67449	0.3
96.95875	0.3
107.01266	6.3
108.02068	0.7
109.02839	2.2
110.18855	0.3
119.01286	0.4
121.02843	2.1
124.01534	0.4
125.02345	0.8
131.01321	0.5
133.02859	1.1
135.00771	0.9
135.04401	0.9
136.01585	0.4
137.02347	0.8
139.03897	0.4
143.04884	0.4
145.02829	0.5
147.00778	1.0
147.04391	0.6
148.01572	0.9
149.02368	1.1
149.04393	0.4
150.03064	0.7
151.00275	21.3
153.01860	0.5
155.04903	0.4
157.02847	0.7
159.04430	0.4
161.02373	1.0
163.00296	1.9
163.03856	0.6
164.00963	0.7
164.04671	0.5
165.01843	0.4
169.01340	1.6
171.04352	2.0
173.02406	0.4
174.02878	0.3
175.00291	3.0
175.03899	1.4
176.01030	1.4
177.01851	0.5
178.99792	4.4
179.03374	0.4
183.04396	0.7
187.03897	1.3
189.02097	0.4
190.02615	2.7
190.99844	0.6
191.03421	2.7
191.05519	1.3
192.00598	0.4
193.01358	0.8
193.04854	0.3
198.03040	0.4
199.03938	5.8
201.01910	1.8
201.05537	0.4
203.03441	1.2
205.01433	0.4
205.04988	1.4
209.04550	0.6
211.03960	0.8
213.01793	0.4
214.02736	0.6
215.03445	3.3
216.04228	0.5
218.07710	0.3
226.02673	1.4
227.03455	5.2
242.02206	0.5
243.02948	8.4
244.03450	0.7
245.04305	0.4
245.92377	0.3
254.02222	0.9
255.02962	9.9
256.03387	0.6
271.02469	82.8
272.02899	5.3
273.03931	1.0
283.02603	2.1
284.02844	0.4
285.04016	0.7
297.03906	0.4
298.01144	0.6
299.01953	100.0
300.02710	63.7
301.03488	49.5
302.03867	2.2
303.76813	0.3
313.03436	1.6
314.04227	0.8
315.05072	9.9
316.05597	1.0
329.03311	0.6
342.03534	0.4
343.04541	1.1
353.08722	1.7
361.16367	0.9
418.49066	0.4
609.14606	28.7
610.14935	2.7
623.15686	0.5
651.13525	0.4
661.19745	0.7
668.13672	4.8
669.14575	25.1
670.15222	2.1
977.25616	53.5
978.26074	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5942
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	1.2
71.01248	14.0
72.01578	0.4
72.99173	1.0
73.02818	2.4
73.48644	0.2
75.00740	0.2
81.03320	0.5
83.01248	1.9
85.02816	2.8
87.00743	3.7
89.02312	13.5
89.25668	0.2
91.03887	0.2
95.01283	1.1
95.04922	0.3
96.95901	0.3
97.02819	2.6
97.06449	0.2
97.25632	0.2
99.00748	1.1
99.04347	0.2
101.02316	13.9
102.02612	0.3
103.03867	0.2
109.02833	0.3
111.00735	0.3
111.04391	0.3
111.08018	0.4
113.02322	5.9
115.03893	0.4
119.03385	4.1
121.02810	0.4
123.00732	0.2
125.01423	0.4
125.02324	5.6
127.03885	0.3
131.03362	0.7
133.04938	0.4
135.11681	0.2
139.03915	0.4
141.01843	0.3
143.03401	2.2
149.04514	0.3
161.04453	3.1
167.03419	0.3
167.10747	0.3
169.04980	0.3
171.02872	0.3
171.27159	0.2
179.05510	3.4
179.14288	0.7
185.04546	0.4
186.52803	0.2
195.12004	0.4
195.13815	6.7
196.14520	0.6
199.06003	0.3
205.12216	0.7
205.15901	0.4
211.13385	0.3
217.07115	0.2
220.14619	0.2
221.06525	1.0
221.15445	0.5
223.13345	6.2
224.13866	0.4
228.13615	0.9
229.62689	0.2
231.21187	0.3
235.08191	7.0
236.10413	0.3
247.12947	0.6
253.09294	1.6
256.13177	1.4
261.22229	0.2
263.07733	0.5
265.21701	0.5
275.20111	3.4
276.20483	0.3
277.09265	0.4
279.23270	45.9
280.23651	2.7
287.07739	2.8
293.21201	100.0
294.18188	0.4
294.21521	5.5
305.08734	3.3
323.09750	0.5
379.12589	0.5
397.13464	72.9
398.13812	3.3
415.14539	23.2
416.14938	0.9
677.37604	3.4
678.37671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47938	6.9
69.48368	7.9
71.01250	76.6
71.08533	1.5
72.99178	5.6
73.02822	20.3
82.61916	1.7
83.01262	8.0
85.02830	27.1
87.00726	2.6
89.02318	35.7
95.01272	7.5
96.95887	4.7
98.20565	3.1
99.00761	5.2
101.02316	46.7
113.02328	49.3
113.18824	1.7
114.54774	1.7
119.03391	13.8
121.02868	2.4
125.02334	2.1
131.03415	3.0
135.04491	2.2
143.03410	3.9
149.04439	3.4
149.05949	2.1
161.04475	16.3
173.04507	2.2
179.05489	4.0
191.05536	3.9
216.32062	1.9
244.64253	1.6
271.61221	2.0
362.35159	1.6
381.22781	79.1
382.23108	5.0
399.23859	71.4
400.24313	3.7
404.07803	2.0
441.24911	100.0
442.25171	8.1
702.70398	2.0
763.84637	2.1
841.47656	3.0
854.55707	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03338	0.6
69.50818	2.0
69.51245	2.0
71.01253	34.7
72.99175	1.6
73.02817	12.8
75.00745	0.8
77.40788	0.4
82.71023	0.4
83.01259	7.4
85.02820	22.2
85.99982	1.0
87.00748	1.5
89.02320	2.0
95.01265	3.5
96.95892	1.8
97.02822	0.9
99.00748	6.9
101.02319	29.1
113.02330	17.5
122.06021	0.5
124.55546	0.6
125.02351	0.8
129.01787	1.4
134.05965	0.5
135.04402	0.6
141.31763	0.5
143.03404	2.2
147.99237	0.5
159.02899	3.5
161.04462	14.8
179.49643	0.5
191.05501	0.9
195.06360	0.6
203.05571	0.8
281.09006	0.5
305.17615	0.7
306.83121	0.6
309.08524	0.8
379.21225	8.7
380.90698	0.5
397.22281	44.8
398.22745	3.2
439.23349	100.0
440.23737	7.8
440.85431	0.6
441.21423	1.1
483.21991	1.2
555.74115	0.6
967.35962	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03314	0.9
69.22785	0.6
71.01247	21.0
71.58366	1.0
71.69398	0.6
72.99180	2.6
73.02815	3.4
74.75404	0.5
75.00748	0.9
80.96407	0.7
81.03328	1.3
83.01270	3.3
85.02832	3.8
87.00752	4.5
89.01759	0.8
89.02313	16.8
93.03369	0.6
94.39959	0.5
95.01259	2.0
97.02824	4.4
97.06459	0.6
99.00739	1.6
101.02316	18.4
111.00797	0.6
113.02328	9.4
119.03392	5.8
120.27157	0.6
121.02837	2.2
124.96266	0.6
125.02345	7.0
128.03438	1.9
131.03377	1.1
139.03915	1.0
141.01863	0.7
143.03424	3.4
149.04500	0.5
150.57384	0.6
154.95575	0.6
161.04425	5.5
165.12769	8.5
179.03461	0.5
179.04158	0.6
179.05475	4.1
209.04564	0.9
221.06647	1.9
235.08192	8.5
243.09879	4.9
247.20605	4.2
248.21120	0.6
253.09303	2.6
257.80917	0.6
263.07602	1.2
273.18616	2.3
277.21710	56.5
278.22107	3.6
287.07608	3.1
291.16476	1.0
291.19641	30.2
305.08823	3.6
323.09750	1.6
340.97556	0.6
397.13480	100.0
398.13727	5.2
415.14560	34.2
416.14899	1.8
675.35767	4.0
792.40009	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99682	1.7
69.03312	4.7
69.52110	2.7
69.52534	5.3
71.01252	64.8
72.99188	5.3
73.02814	25.9
75.00745	2.1
76.66525	0.8
81.03341	2.7
83.01250	22.9
83.04893	0.9
85.02821	36.7
87.00748	9.1
89.02307	10.3
93.03318	2.2
95.01258	7.7
95.53888	1.0
96.95898	4.6
97.02824	10.4
99.00761	10.7
99.04391	1.5
101.02319	48.5
109.02824	2.0
111.00791	4.6
113.02331	36.0
116.92712	2.2
119.03392	3.9
121.02792	1.0
125.02334	15.6
127.03910	2.0
129.01846	1.1
131.03404	4.4
135.35002	1.2
139.00256	1.3
139.03940	1.1
141.01776	1.0
143.03395	12.6
147.04344	1.3
149.04396	1.7
149.06023	2.1
155.03342	2.2
159.02861	3.1
161.04456	10.5
165.05681	1.0
167.03336	1.2
185.04460	1.3
190.56450	1.0
191.05507	1.4
195.06450	1.0
203.05569	1.1
209.08141	2.0
221.06572	1.7
245.06502	1.6
287.07785	1.6
314.42313	1.0
325.25314	2.0
336.35452	1.0
339.23154	1.3
341.24860	3.3
353.24979	2.5
371.25983	2.0
373.23453	1.7
373.27518	6.9
417.26498	3.3
569.38409	2.2
617.40540	4.4
635.41718	15.2
636.41974	1.6
659.41199	2.3
677.42743	20.8
678.42145	1.9
719.43646	2.2
743.41937	1.1
761.44366	1.6
779.46008	11.7
780.46869	2.7
797.46741	5.7
821.46875	32.9
822.47552	3.7
839.47949	100.0
840.48383	11.5
881.48975	97.2
882.49237	12.8
968.90179	4.5
969.41217	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	967.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	19.4
72.99178	2.7
73.02818	4.4
74.28352	1.3
74.85950	1.5
80.04917	2.7
83.01260	2.4
85.02820	6.4
87.00744	2.5
89.02322	21.3
93.03336	4.6
95.01263	2.6
96.95858	8.9
101.02322	14.3
106.06500	6.5
113.02305	10.5
117.74403	1.4
117.75333	1.6
119.03394	5.7
120.08083	1.6
122.05980	9.6
130.06528	1.8
132.04446	2.0
133.02859	2.2
134.03717	2.4
134.06007	37.7
135.04379	3.9
135.06358	2.8
136.07599	2.7
137.02338	2.4
149.04436	6.0
152.07025	7.6
161.02356	1.8
161.04497	3.0
161.81178	1.5
163.03839	1.6
173.04459	4.3
179.03352	3.0
179.05589	1.9
180.06546	1.7
188.07080	3.0
190.05038	3.2
191.05629	7.3
211.08611	1.7
213.10315	7.5
213.12161	1.4
225.10345	3.3
227.11923	1.7
229.88971	2.1
237.10129	3.7
238.07565	1.5
239.11862	9.0
241.13445	6.0
249.10304	3.4
251.08212	3.5
251.11920	4.1
253.09764	7.2
257.13022	3.7
259.09253	1.7
263.08215	5.3
264.09137	3.2
265.09805	6.3
267.11407	5.9
275.09073	2.5
277.09689	8.3
278.07208	3.3
278.10544	5.6
279.07831	5.6
279.11017	7.9
285.12381	11.4
287.72510	1.5
292.08438	2.7
293.09381	13.5
293.12390	2.6
294.10013	2.3
295.10840	7.0
305.09357	3.8
307.10886	7.4
309.12280	2.0
314.12674	2.8
321.08936	2.9
337.08340	3.0
339.09906	4.0
351.09814	4.0
356.17917	1.7
357.14731	1.7
358.15472	4.5
364.99066	1.6
370.11508	2.3
370.15741	2.4
384.13345	5.2
397.13959	2.0
398.15106	2.0
400.16599	11.4
410.15173	2.0
412.16644	5.7
413.16632	2.1
425.17413	1.9
440.16327	1.6
444.15237	1.8
449.15024	3.5
458.17404	2.3
468.15378	2.0
486.16980	4.1
547.23743	1.7
620.23206	3.7
621.23370	3.2
638.23438	7.5
648.22137	4.4
649.22778	1.9
666.22900	28.1
667.23096	4.7
680.24884	2.0
712.26929	6.9
727.29944	7.3
743.29395	2.2
759.31738	1.7
771.14594	1.9
771.28705	50.7
772.28979	8.1
803.31415	100.0
804.31567	16.9
830.29120	3.1
835.34082	58.9
835.49823	3.4
836.34082	9.0
903.32117	3.0
935.35980	12.2
936.35901	2.8
967.38171	26.6
968.38812	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	967.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28290	5.5
69.28715	1.8
79.85657	0.7
86.05283	0.6
105.06144	0.7
107.01286	1.0
108.02048	1.4
109.02819	1.1
109.37162	0.5
110.23596	0.6
120.11881	0.6
121.02859	1.0
129.48477	0.6
148.01614	0.8
149.06009	0.6
151.00235	4.6
163.00237	1.2
164.01108	0.9
178.99796	2.7
191.05490	0.8
211.03972	0.9
216.04219	0.9
227.03464	1.8
243.02910	5.3
244.03487	0.7
254.02225	1.5
255.02965	16.2
256.03305	1.2
271.02469	36.0
272.02988	2.9
273.03793	0.8
290.79364	0.6
299.01828	0.9
300.02722	79.8
301.03461	19.6
419.46964	0.6
455.28271	0.6
463.08740	2.4
505.09869	100.0
506.10187	7.9
751.64032	0.9
852.77991	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	0.5
69.39320	3.9
71.01251	21.3
72.99164	1.8
73.02814	6.6
79.57453	0.4
80.04932	2.2
83.01257	2.3
85.02821	7.1
87.00747	6.8
89.02316	9.5
92.04951	0.7
93.03305	0.5
94.06483	0.8
95.01248	1.3
96.95872	2.4
97.02841	0.9
98.19748	0.7
99.00736	1.7
101.02320	14.7
104.04918	1.2
106.06506	5.4
108.04443	0.5
113.02327	8.2
119.03393	3.1
120.04401	0.7
120.08067	1.2
121.05194	1.3
122.06007	8.6
125.02327	1.6
130.06480	0.7
131.03392	4.1
132.04460	2.7
134.06013	25.2
135.04453	0.6
135.06334	1.0
143.03380	0.9
146.05923	0.6
147.04385	0.7
148.03932	1.2
148.07542	0.6
149.04410	1.0
150.02991	0.4
150.05476	0.6
152.07057	4.9
158.02318	0.9
159.02884	0.6
159.05524	0.6
160.03940	1.4
160.06320	3.2
161.04448	5.4
165.05428	0.7
170.09607	0.5
173.04472	0.7
174.05478	1.2
179.05595	0.6
190.05035	2.8
191.05498	1.0
197.07086	0.8
213.10263	14.8
214.10582	0.7
221.06625	3.9
223.08702	1.2
225.10207	2.2
226.10954	1.3
227.11696	0.6
235.08694	0.9
237.10342	1.0
239.11894	8.8
241.09758	0.7
241.13455	7.9
247.08694	0.6
249.06668	0.7
249.10262	0.8
251.11848	3.2
262.07462	0.6
263.08163	1.1
263.11697	0.7
265.09735	1.7
265.13193	0.6
267.11301	1.4
277.09778	1.4
278.10486	0.7
279.11212	1.4
280.11594	0.6
285.12427	19.8
286.12708	0.9
291.07880	0.6
293.09402	1.0
293.12878	2.5
295.10828	0.7
300.11957	0.6
301.12189	0.5
305.09259	1.8
307.10843	0.9
313.13480	0.6
314.12555	1.6
315.14996	0.8
316.14447	0.7
326.13040	0.5
327.09897	0.5
327.13788	0.5
328.10895	3.2
328.14426	0.6
329.11969	0.6
330.12366	0.8
332.17575	0.5
337.11865	1.5
340.10925	1.0
340.14572	2.0
341.11581	1.0
342.12592	2.4
342.16049	0.7
343.13330	2.7
344.13855	2.0
354.12515	0.9
355.13217	1.2
356.14026	3.4
356.17865	0.8
357.14752	2.4
358.15543	8.7
359.15945	1.1
366.12192	0.6
368.10263	1.8
368.14087	1.9
369.14911	0.7
370.11783	1.5
370.15845	2.8
371.16223	0.9
372.17178	1.9
382.11774	1.2
382.15714	1.2
383.12634	1.2
384.13388	5.3
384.17365	2.0
385.13898	0.7
394.15726	0.6
396.13388	2.0
397.14270	2.7
398.15033	5.3
399.15500	1.0
400.16678	8.3
401.16852	0.8
404.98892	0.5
410.15054	1.1
411.15381	0.4
412.16663	8.1
413.16745	0.9
426.14346	2.0
438.14474	1.0
444.15567	2.4
456.15741	1.0
462.20886	0.7
477.23077	0.8
490.20224	0.6
491.20248	0.7
503.20816	0.8
505.22345	1.2
506.22925	0.5
517.17249	0.5
519.24152	0.5
544.21179	0.4
545.21954	1.2
563.23492	0.8
573.21039	1.1
591.21851	0.5
647.20972	0.6
679.23560	1.4
716.76349	0.5
801.29810	1.2
833.31934	0.8
847.33618	0.6
889.34857	3.5
890.36792	0.5
905.34082	1.2
915.31720	0.9
933.34100	100.0
934.34296	15.5
965.36566	20.1
966.37427	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	965.367
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01762	0.4
69.36323	3.2
69.36732	0.7
71.01253	18.6
72.99163	1.3
73.02815	6.0
80.04919	1.8
81.03328	0.7
81.30965	0.4
83.01262	2.1
85.02826	6.5
85.99970	1.1
87.00743	5.1
89.02313	10.0
94.06507	0.7
95.01269	1.8
96.95885	1.6
97.02838	1.0
99.00762	2.6
101.02322	13.0
104.04958	0.5
106.06505	4.8
107.03603	0.6
108.04419	0.5
113.02337	7.8
119.03408	3.8
120.04428	0.6
120.08080	1.0
121.05175	1.1
121.83121	0.6
122.06007	8.1
125.02346	1.7
131.03395	3.7
132.04469	2.0
134.06013	24.6
135.04395	0.4
135.06340	1.0
143.03383	0.9
148.03929	0.7
148.07391	0.5
149.04396	0.7
150.05528	0.7
152.07082	4.2
158.02335	0.8
158.06018	0.5
159.02882	1.2
160.03943	1.6
160.06325	2.9
161.04501	5.1
162.05533	0.6
166.02667	0.5
173.04430	0.8
174.05495	0.8
179.03447	0.6
179.05495	0.7
190.05025	2.8
191.05498	0.7
192.06593	0.6
197.07188	0.5
198.07878	0.5
201.34888	0.5
211.08702	1.2
213.08289	1.0
213.10278	13.3
214.12492	0.5
221.06631	3.9
223.08633	0.8
224.09358	0.5
225.10371	1.8
226.10957	1.5
227.11792	0.7
235.08876	0.6
236.09352	1.2
237.10287	1.2
238.10797	0.5
239.11844	8.9
240.12296	0.5
241.09569	1.0
241.13396	6.6
249.10243	0.9
251.11873	3.1
253.13795	0.5
263.08252	0.9
264.08914	0.6
265.09647	1.2
267.11365	1.5
277.09802	1.9
279.11227	0.7
283.11136	0.5
285.12439	17.7
286.12796	1.0
292.08423	0.6
293.12976	1.6
295.10974	0.5
305.09259	2.4
307.10919	0.7
313.13077	0.7
314.12546	1.0
315.13586	0.6
316.14557	1.0
327.10239	0.7
328.11218	3.1
328.14734	1.0
329.11539	0.5
330.12454	0.8
330.16107	0.5
332.17587	0.7
337.11877	1.8
340.10855	0.9
340.14474	2.0
341.11676	0.7
342.12686	2.3
342.16217	0.8
343.13220	2.8
344.13892	1.8
354.12497	1.9
355.13327	1.6
356.13968	3.0
356.17514	0.7
357.14771	2.5
358.15625	8.8
359.16370	0.8
366.12442	1.0
368.10321	0.9
368.14038	1.9
369.14645	1.4
370.11871	1.1
370.15900	2.7
371.16180	0.6
372.17133	2.3
373.17819	0.5
379.12784	0.5
381.11124	0.6
382.11664	1.2
382.15863	1.1
383.12564	1.3
384.13223	5.4
384.17386	1.5
385.13956	1.2
394.15494	0.5
396.13568	1.8
397.14285	2.2
398.14941	4.6
399.15649	1.1
400.16647	7.8
401.16888	1.3
410.14856	1.1
412.16663	8.7
413.16949	0.7
426.14584	2.0
428.16129	0.5
438.14398	1.3
439.14948	0.6
444.15640	2.2
456.15637	0.8
490.20248	1.0
491.20752	0.8
503.19992	0.5
505.22656	1.1
506.23218	0.7
519.23737	0.8
545.21857	1.2
547.23553	0.5
563.23035	0.7
591.22961	0.8
647.20789	0.8
679.23132	0.7
724.27563	0.6
725.27405	1.4
756.29224	0.5
757.30023	1.1
800.28143	0.8
801.29041	1.4
833.32190	0.9
847.34894	0.8
887.31995	0.9
889.35101	3.3
891.30573	0.6
905.35156	0.9
915.33221	1.0
933.34088	100.0
934.34418	13.8
965.36578	20.6
965.56262	0.8
966.37024	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	965.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72846	1.8
70.56097	0.3
70.77548	0.3
71.01247	0.4
92.00441	0.4
98.19860	0.4
107.00584	0.3
107.01264	1.3
108.02052	0.7
109.02825	0.6
121.02832	1.3
130.19170	0.3
135.00801	0.4
148.01555	0.8
149.02347	0.6
151.00256	6.1
161.02351	0.3
163.00259	1.2
164.01039	0.4
169.01317	0.7
178.99773	3.2
179.03342	0.4
191.05432	0.7
199.03842	0.4
211.03929	0.4
223.06071	0.7
226.02698	1.1
227.03416	1.1
243.02956	6.2
245.04512	0.5
254.02124	1.8
255.02954	17.3
256.03244	1.1
271.02457	38.4
272.02945	3.3
273.03973	0.8
283.02380	0.7
299.01941	1.1
300.02734	66.8
301.03433	16.3
302.03973	0.8
344.12823	0.3
609.14569	100.0
610.14905	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	965.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	23.6
71.58635	1.8
72.99175	4.1
73.02821	2.8
83.01253	2.6
85.02824	7.0
87.00767	2.4
89.02322	20.6
93.03339	1.3
95.01237	2.9
96.95888	9.2
99.00748	2.2
101.02322	11.7
106.06501	4.0
107.03600	2.5
108.02116	1.1
112.50239	1.2
113.02345	8.5
119.03375	4.9
119.04820	1.7
121.03855	1.1
122.06007	5.6
131.03378	1.6
132.75650	1.1
134.06020	35.4
135.04379	2.8
136.01541	1.1
137.70834	1.2
144.02902	2.5
149.04462	17.7
150.05548	1.8
152.07054	6.0
165.05453	1.1
167.08200	1.4
169.91801	1.2
173.04482	2.5
179.03430	1.8
186.05443	1.6
191.05505	5.5
217.62520	1.2
225.10266	3.4
235.08734	2.8
237.10245	3.5
239.11790	2.0
249.10202	3.6
250.07454	4.8
251.08209	2.0
252.09010	2.5
259.09296	7.0
263.08276	6.1
265.09784	13.9
267.11252	2.3
275.08221	2.2
276.09061	2.8
277.09875	7.3
278.07062	6.3
279.11142	1.8
291.07639	3.7
291.11133	1.6
292.08383	1.8
293.09308	48.2
294.09604	4.2
305.09293	18.8
306.10028	1.9
308.07788	1.6
314.12424	2.8
334.32263	1.2
337.08350	1.7
340.10754	1.5
354.12323	1.6
354.16129	1.2
356.14133	1.5
368.14114	2.5
370.16000	2.4
372.16891	1.4
380.10074	1.9
382.11887	4.0
383.12463	1.6
390.61966	1.2
395.12457	1.4
396.13702	2.7
398.15030	17.3
399.15549	1.4
410.15131	10.9
411.15738	1.7
412.16849	2.2
440.16071	6.4
463.21851	1.6
484.15314	2.2
579.21478	1.3
592.22705	3.5
620.22400	21.5
621.22974	2.9
646.20209	1.8
648.66455	1.3
652.24945	1.6
664.21582	20.0
665.21948	2.2
679.23749	12.5
696.24274	6.9
710.25256	2.3
711.26245	9.2
725.28271	35.4
726.27991	5.6
734.63031	1.4
751.26477	2.4
757.30853	17.3
758.31000	2.7
769.27429	16.5
783.28345	5.0
801.29852	100.0
802.30023	13.1
811.28186	2.6
833.32587	46.3
833.48395	2.3
834.32635	8.4
901.30481	3.7
933.33838	8.2
934.34192	1.4
965.36023	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	963.6862
Annotation	Unknow
Peak:m/z	Relative Intensity
67.26228	0.3
71.01228	0.7
71.99480	0.3
80.04909	0.4
81.03327	7.2
83.04893	16.0
83.24766	0.3
84.05222	0.5
89.39740	0.3
91.18342	0.3
93.03309	0.4
96.95900	0.5
101.02324	0.4
107.06038	0.6
108.04423	0.5
125.02325	0.3
125.07082	1.4
126.05470	0.6
134.53789	0.3
135.04431	0.6
143.08121	0.4
161.02312	0.5
173.04507	0.6
179.03407	0.5
191.05522	0.8
207.14986	1.1
212.89798	0.4
224.17691	2.6
225.16028	13.2
242.18724	0.8
246.18628	0.3
309.21808	1.1
324.26520	0.4
328.35092	0.4
333.22983	0.7
339.27628	0.4
341.29291	0.6
367.27029	1.2
433.31750	1.5
450.34375	1.5
451.32858	10.1
452.33194	0.9
456.09351	0.3
550.43457	0.6
567.46356	0.8
593.43719	0.4
676.51770	0.5
677.49292	2.4
678.49292	0.5
776.59369	0.7
885.65399	0.4
903.66473	100.0
904.66791	19.9
904.85010	0.7
978.82208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24976	18.5
71.01249	47.5
71.72057	1.6
72.99182	3.5
73.02818	16.7
78.95758	1.6
83.01254	6.0
85.02827	15.1
87.00751	11.0
89.02305	19.7
90.84975	1.4
93.03339	5.0
95.01252	4.8
96.95871	9.3
97.02831	3.0
99.00770	3.3
101.02321	27.6
101.28870	1.5
103.01775	1.8
104.04952	2.1
106.06497	6.5
108.04436	4.2
109.02862	1.7
111.00716	2.1
111.29714	1.5
113.02335	17.6
116.04923	8.2
118.02882	3.7
119.03387	7.0
120.04424	5.3
122.06001	13.2
125.02351	4.3
130.02861	4.9
131.03410	7.7
132.04427	7.9
133.02896	2.2
134.06007	47.0
135.04382	3.6
136.07579	5.1
143.03404	3.6
146.02388	2.4
146.06003	5.4
147.04364	3.9
148.03958	9.7
148.07581	1.8
149.04416	5.7
150.05556	7.8
152.07045	11.6
153.02022	1.6
158.02388	22.9
159.02956	2.9
160.03941	34.9
160.83192	1.5
161.04451	9.1
162.05524	6.2
164.07040	3.7
167.03490	2.3
172.03915	4.2
173.04495	3.7
174.05476	3.4
176.03406	9.8
179.05487	2.1
186.05528	2.3
186.09171	4.5
190.05028	51.7
191.05487	5.1
192.06566	24.7
198.05522	1.7
198.09178	7.0
203.05431	2.8
204.06474	3.6
212.05804	3.2
212.10831	1.7
213.06592	1.8
214.07178	3.2
214.12425	2.5
215.08429	1.8
218.08284	2.3
220.05998	1.7
221.06619	7.5
224.05847	2.0
225.06660	6.2
226.07431	4.7
227.08162	5.8
229.09781	41.5
230.09949	2.2
233.10793	1.9
235.08826	3.7
237.10229	2.3
238.08521	2.4
239.08191	5.6
240.10483	8.0
241.09773	37.3
242.10338	6.0
243.11345	2.4
249.06602	2.4
253.09732	3.3
255.07697	4.3
255.11349	9.6
257.09332	1.8
257.10190	2.3
257.12936	23.3
261.10242	1.9
263.08118	3.6
266.06821	2.9
267.07721	4.8
267.11517	2.0
268.08475	4.6
269.09235	2.2
277.06155	6.5
277.09781	8.5
279.11456	4.8
281.09320	22.9
283.10864	73.3
284.11157	5.5
289.06287	1.9
291.07541	2.1
292.08459	3.4
293.09238	2.8
301.11905	4.2
303.07983	2.1
305.09250	25.3
306.09766	1.9
307.10797	10.5
309.08768	10.7
309.12329	4.1
313.11835	2.3
314.12247	2.4
321.08801	2.2
323.10437	2.3
325.11810	2.4
337.11880	23.6
338.12292	2.9
339.13358	4.1
339.28149	1.8
343.13049	8.0
355.12888	1.9
373.14267	1.9
403.14856	5.9
433.78909	1.8
463.17059	2.5
505.18130	6.3
535.19348	3.6
539.28345	2.4
565.20367	3.4
579.10046	1.9
647.21490	2.4
649.22382	4.6
679.23590	12.5
681.25043	8.0
730.28308	3.5
733.24274	4.4
770.27277	2.7
887.33887	5.1
888.32050	3.6
913.31885	2.7
931.32428	100.0
932.32983	22.8
959.08948	1.8
963.35059	83.9
964.35492	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	965.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38039	1.2
69.38459	1.2
105.19550	0.3
107.01248	1.3
108.02032	0.4
109.02811	0.3
111.70129	0.3
121.02824	1.0
148.01573	0.5
149.02316	0.6
149.04507	0.3
151.00272	5.1
152.65660	0.3
154.15379	0.2
163.00305	0.9
164.01027	0.3
164.04655	0.5
169.01299	0.4
178.99770	3.0
191.05376	0.3
199.03922	0.6
211.03891	0.6
223.06001	1.2
226.02734	0.4
227.03455	0.8
243.02966	3.2
254.02036	0.9
255.02959	9.5
256.03439	0.7
266.02374	0.3
271.02463	21.1
272.03009	2.0
283.02493	0.3
299.01834	1.5
300.02722	49.4
301.03458	21.4
302.03751	1.2
343.04489	0.6
447.09210	0.3
585.74243	0.3
608.13599	0.6
609.14557	100.0
610.14948	12.1
610.25317	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
66.79630	0.5
69.03329	1.3
69.59306	1.3
69.59712	3.8
71.01250	17.5
72.99163	1.8
73.02804	2.5
81.03338	0.7
83.01264	2.4
83.04885	0.6
85.02817	3.9
87.00723	4.4
88.98695	0.7
89.02313	13.3
89.02827	1.0
95.01241	1.2
95.32125	0.5
96.95877	1.1
97.02813	2.5
99.00738	1.0
101.02319	12.4
101.02988	0.7
113.02327	8.9
119.03403	3.6
123.21516	0.6
125.02335	5.8
130.49374	0.5
133.04971	0.5
143.03398	3.5
149.04437	0.6
161.04445	4.5
179.05490	3.5
183.13828	6.9
193.12260	1.5
199.05968	0.7
211.13330	100.0
212.13680	3.8
217.07068	0.7
221.06609	1.7
235.08208	5.5
253.09268	1.5
277.21701	62.6
278.22031	3.3
287.07709	2.5
305.08774	1.7
323.09903	2.2
334.35883	0.8
371.62296	0.7
379.12476	12.7
397.13483	43.4
398.13657	2.8
415.14496	8.0
524.47156	0.7
591.26453	7.8
592.27380	1.3
609.27582	6.1
610.27509	0.7
657.35071	3.0
675.35931	5.8
869.48877	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	963.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	0.9
70.25131	0.8
71.01250	45.9
71.20826	2.0
72.99167	3.0
73.02818	12.8
75.00726	1.3
83.01229	4.8
83.40005	0.8
85.02819	20.0
85.99947	1.9
87.00749	11.2
89.02318	19.8
95.01263	4.1
96.95880	4.1
97.02816	2.6
99.00753	3.2
101.02323	31.9
106.06506	8.4
112.14621	0.9
113.02318	16.4
114.22338	0.9
119.03401	6.4
122.06033	6.6
125.02307	3.0
131.03391	8.3
134.06010	58.3
135.06287	1.8
143.03436	2.2
146.06012	0.9
150.05444	2.1
152.07056	14.2
159.02821	2.7
161.04468	11.1
179.05528	1.6
191.05464	1.4
221.06544	7.2
235.08794	2.7
237.10257	2.8
239.11760	3.7
247.08728	1.5
249.10797	1.5
263.08182	3.2
268.51254	1.0
275.08249	1.6
291.11343	1.6
303.54468	1.1
314.12408	2.6
326.12885	1.4
327.10236	1.7
328.10764	1.6
330.16058	1.5
340.11038	1.9
341.11600	2.0
342.12231	2.8
344.13815	1.4
352.10953	2.3
353.11722	1.5
354.12463	7.3
355.13373	2.7
356.14108	4.7
357.14798	4.1
366.12280	2.8
367.09454	3.5
368.10147	3.0
368.14053	6.2
369.14725	2.0
370.15637	11.1
371.15613	1.1
372.17090	4.0
380.09924	1.4
380.14191	2.0
382.11728	11.8
382.15866	2.7
383.12656	9.2
392.13977	1.4
394.11905	3.2
395.12619	3.3
396.13336	3.0
397.14093	2.2
398.15057	53.3
399.15298	5.4
408.13422	1.6
410.15067	19.0
411.15582	2.5
430.17667	1.5
474.17313	1.1
476.17795	2.2
488.18344	2.2
489.18979	1.8
503.21072	2.8
504.21371	2.5
517.22308	3.1
545.21674	3.1
577.23932	1.2
605.19861	1.1
773.39795	2.3
815.40021	1.1
833.41748	1.8
843.34821	3.1
846.33435	1.2
859.33838	2.5
887.33588	100.0
888.33728	18.1
919.36127	26.4
920.37030	4.8
931.32562	28.5
932.31635	6.3
963.35089	60.5
964.34943	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	953.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
66.12433	0.9
67.01767	1.6
68.99691	1.2
69.03315	4.1
70.81945	1.6
71.01248	64.9
71.04873	0.9
72.99175	2.6
73.02814	23.8
74.14407	0.8
75.00739	1.9
81.03326	2.1
83.01248	20.6
85.02818	37.6
87.00748	7.7
89.02316	7.9
93.03346	1.7
95.01244	7.4
96.95878	3.3
97.02814	8.9
99.00751	12.3
99.04409	1.2
101.02317	46.7
106.88461	0.9
109.02828	1.7
111.00741	3.8
113.02328	32.4
119.03394	2.2
121.02860	1.7
125.02338	13.1
127.03901	1.7
130.04791	1.1
135.04367	1.2
137.02295	1.2
139.03862	0.9
141.01874	1.1
143.03412	9.9
144.76167	0.9
149.05934	2.6
151.03841	0.9
155.03343	1.7
159.02866	2.8
161.04459	11.7
185.04443	1.1
198.82187	0.9
203.05542	2.6
209.08177	2.9
227.05585	1.3
237.51671	1.0
287.07791	1.1
293.68744	1.0
357.27921	1.1
581.14001	1.0
619.42133	3.0
661.43188	2.1
745.45935	1.2
757.45593	1.2
763.46442	21.7
764.46814	2.8
781.47650	9.9
782.47974	1.7
805.47394	26.4
806.47723	3.5
823.48450	100.0
824.48975	13.6
865.49487	63.5
866.49780	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	961.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03325	0.9
69.15425	0.6
69.56734	2.4
69.57146	1.7
71.01251	13.4
72.99149	0.8
73.02813	1.9
81.03326	0.5
83.01244	1.6
83.04880	0.5
85.02834	3.8
85.92331	0.5
86.46874	0.5
87.00730	2.6
89.02311	12.5
95.01282	0.7
97.02817	2.2
101.02319	9.7
113.02336	7.9
119.03387	2.5
125.02322	5.0
131.03316	0.6
139.03860	0.5
143.03380	1.5
161.04443	4.2
167.03421	0.6
167.14375	0.7
179.05530	3.1
183.13806	6.4
193.12257	1.2
211.13329	100.0
212.13701	4.2
221.06508	1.1
235.08165	4.3
248.95132	0.5
253.09221	0.7
259.08054	0.6
277.21701	47.9
278.21893	2.8
287.07645	1.3
288.19580	0.6
305.08655	1.5
323.09790	0.7
359.31445	0.7
379.12454	10.7
380.12985	0.7
397.13474	35.6
398.13904	2.0
415.14499	7.9
591.26581	9.7
592.26807	0.7
609.27649	8.5
610.27899	1.2
657.34845	1.7
675.35571	3.6
869.49042	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	951.5681
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	1.0
70.18690	3.0
71.01254	26.2
71.04881	0.9
72.99181	2.1
73.02819	4.6
81.03326	1.4
83.01268	3.4
85.02826	6.4
87.00751	5.5
88.09792	0.6
89.02316	19.3
95.01242	2.0
97.02842	3.6
99.00743	1.1
101.02320	17.3
109.06441	0.6
113.02322	11.6
119.03362	5.3
121.10132	2.4
125.02324	7.4
127.07523	0.7
131.03368	0.7
133.04889	0.8
138.03317	0.6
139.03905	0.7
143.03418	3.2
145.04927	0.9
149.04506	0.8
158.61412	0.6
161.04466	5.6
171.10168	9.0
179.05569	5.3
183.13820	10.9
211.13336	2.4
217.07120	1.1
221.06621	1.7
223.17007	1.2
231.21144	1.0
235.08186	7.1
235.14668	0.8
235.17007	14.6
236.17406	1.0
245.06795	0.7
248.01991	0.6
253.09341	1.9
263.07736	1.1
275.20142	28.9
276.20599	2.2
277.21716	71.8
278.22009	3.7
287.07681	1.7
293.21219	100.0
294.21484	5.9
305.08832	1.8
323.09763	1.4
379.12460	9.0
382.73672	0.7
397.13492	54.0
398.13794	2.8
415.14563	15.6
416.14706	0.7
668.74231	0.8
675.36017	1.8
691.35754	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.367
Annotation	Unknow
Peak:m/z	Relative Intensity
67.18953	1.5
67.60767	1.7
71.01252	25.2
71.58281	2.6
72.99162	1.8
73.02814	3.5
79.62316	1.6
80.04898	4.6
83.01248	3.0
85.02820	11.0
87.00728	3.7
88.21358	1.6
89.02322	20.9
93.03345	4.1
96.95860	10.1
101.02331	18.7
106.06509	9.6
108.04426	1.8
109.02859	1.7
113.02330	9.7
119.03391	6.6
119.04913	3.0
120.70901	1.8
122.06014	10.6
122.53329	1.7
130.06471	2.2
131.03267	1.8
132.04457	4.7
133.94115	1.9
134.03618	4.3
134.06013	37.7
135.04382	5.5
136.07585	4.4
146.05972	3.1
149.02316	2.3
149.04468	6.5
152.07098	9.0
160.03981	2.3
173.04456	7.5
174.05559	2.1
179.03395	2.0
180.06541	7.7
188.07068	7.2
190.04967	5.1
191.05592	10.5
211.08681	3.2
213.10236	2.4
223.08566	2.2
224.09546	2.2
225.10228	8.1
227.11882	3.5
235.08723	4.1
237.10295	2.9
238.07558	2.8
239.11826	6.4
241.13396	2.5
242.10410	2.5
243.10844	1.9
249.10303	3.7
251.08165	6.2
251.11865	2.9
252.08932	3.4
253.09872	10.2
257.12860	11.5
258.10681	1.7
258.13229	8.2
259.13449	2.1
263.08127	3.3
264.08948	5.1
265.09732	5.4
266.10645	3.8
267.11349	12.9
277.09854	8.5
278.07083	2.3
278.10315	2.2
279.07635	8.3
279.10867	8.6
281.09271	2.4
283.10843	2.3
285.12524	4.7
291.07791	3.4
291.11221	2.8
292.08527	6.0
292.43665	2.0
293.09305	14.9
294.09921	5.1
295.10831	17.7
296.11145	2.6
301.11932	6.8
302.12387	3.0
305.09305	4.8
307.10992	15.2
314.12305	3.0
321.08704	9.5
333.08591	2.8
339.09705	7.1
351.09845	4.9
356.13766	2.3
358.15564	3.7
370.15659	2.3
400.16635	4.7
412.16522	3.5
414.18167	2.3
433.16177	4.0
434.16489	4.2
435.17026	2.0
440.16528	3.2
458.16968	4.9
468.15814	6.7
486.16553	5.4
610.23865	2.2
620.22424	8.3
621.22626	2.1
638.23541	14.3
648.22046	6.6
649.22992	2.0
666.23016	78.1
667.22943	11.8
670.26172	5.3
698.25610	100.0
699.26190	15.8
708.91077	2.1
771.28760	27.7
772.29230	4.0
789.29657	15.8
790.29926	2.5
798.27991	3.0
802.30890	3.0
803.31250	20.9
821.32251	8.0
830.29669	18.8
831.30798	5.3
921.34119	2.9
935.36493	6.0
953.36511	36.0
954.36517	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	951.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01746	0.6
67.15405	0.3
69.57298	2.2
71.01248	2.2
73.02827	0.9
79.05421	0.6
83.04874	0.4
84.04399	0.4
85.02798	0.8
87.00744	0.7
89.02314	4.6
89.48053	0.3
93.03360	0.5
95.04887	0.8
96.95881	1.5
98.20518	0.4
101.02305	1.2
103.03897	0.5
107.03658	0.5
108.04390	0.5
113.02316	0.7
113.85332	0.3
120.04451	3.1
121.05231	1.6
122.05122	0.4
122.06005	6.9
125.02376	0.4
131.03387	1.3
132.04486	0.4
133.02837	0.3
134.03557	0.4
134.06006	3.6
135.04411	0.6
135.06798	1.6
136.07579	12.9
137.02318	0.3
137.07932	0.5
148.07498	0.4
149.04460	13.5
150.03098	0.4
158.02354	0.4
159.05551	0.4
160.06337	0.3
161.02394	0.4
161.07100	1.4
162.05515	0.7
171.11693	2.0
173.04477	1.1
179.03412	0.4
179.05452	0.4
189.10258	1.1
190.04999	2.0
191.03593	0.4
191.05516	1.5
192.06575	0.4
198.09192	2.3
199.09970	1.7
212.05649	0.3
214.12308	9.9
215.12570	0.4
225.06680	0.6
226.07431	1.2
227.08200	2.2
228.08926	0.7
229.09818	3.1
230.09950	0.4
230.11858	4.5
241.09789	26.2
242.10551	17.7
243.10901	0.7
255.11372	0.9
256.12146	7.1
257.12924	100.0
258.13269	4.9
267.07776	0.4
275.09207	0.6
281.09482	0.6
283.10873	5.8
300.11118	2.6
301.11920	59.3
302.12253	3.0
323.10272	0.4
337.11804	0.7
432.15372	2.4
433.16135	45.0
434.16422	2.6
449.14136	0.4
517.18280	11.1
518.19135	0.7
743.29321	0.5
775.31689	1.5
787.28619	2.8
819.31134	6.6
820.31927	0.7
903.64551	0.4
904.67328	2.0
905.66681	0.9
919.32361	2.4
951.35022	7.5
952.35706	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01746	0.6
71.01256	2.6
71.21518	0.3
71.21850	0.7
73.02808	1.1
78.95805	0.4
79.05383	0.4
83.01260	0.4
85.02818	0.5
87.00769	0.9
89.02307	4.3
93.03324	0.8
93.76112	0.3
95.04926	0.5
96.95885	2.0
101.02327	1.2
107.03627	0.5
108.04481	0.4
113.02286	0.9
116.92713	0.3
120.04432	3.1
121.05204	2.4
122.06001	6.4
125.02331	0.3
131.03389	1.2
133.02884	0.4
134.03584	0.9
134.06001	3.4
135.04401	0.8
135.06822	2.0
136.07574	13.9
137.07907	0.5
146.40254	0.4
148.07608	0.6
149.04454	12.1
150.03043	0.4
152.07042	0.5
161.02312	0.6
161.07123	1.1
171.11716	2.3
173.04494	1.4
175.03781	0.3
179.03374	0.6
186.09306	0.4
189.10262	1.0
190.04997	2.3
191.03499	0.6
191.05522	1.5
198.09212	2.1
199.09949	1.1
213.06689	0.4
214.12306	11.3
215.12712	0.4
225.06654	0.7
226.07346	0.8
227.08189	2.2
228.08867	0.7
229.09763	3.3
230.11818	4.3
239.11836	0.7
241.09778	21.8
242.10565	14.6
243.10815	0.4
255.11462	0.7
256.12128	5.7
257.12915	100.0
258.13254	4.8
275.09137	1.9
281.09372	0.4
283.10892	5.7
300.11081	1.7
301.11911	50.0
302.12274	2.5
337.11932	0.7
352.48615	0.4
352.68613	0.3
432.15384	1.6
433.16113	43.4
434.16418	2.7
449.14551	0.4
517.18274	9.1
518.18542	1.0
586.87598	0.4
622.70428	0.4
743.28998	0.5
775.32214	1.0
787.28351	2.2
801.29840	0.8
803.29974	0.5
819.30939	6.7
820.30865	0.8
888.29041	0.4
919.32318	1.7
938.43726	0.4
951.34735	6.3
952.35101	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	2.8
70.45513	7.7
71.00888	3.1
71.01249	40.3
72.99165	2.7
73.02813	12.9
80.04934	3.8
83.01256	5.3
85.02842	12.3
87.00762	11.9
88.93364	2.0
89.02320	9.0
93.03289	2.9
95.01229	3.7
96.95872	17.4
97.02828	2.4
99.00726	3.1
101.02321	22.8
104.47856	2.1
106.06491	7.0
113.02330	15.5
119.03378	3.1
120.04476	2.4
122.05975	8.0
125.02326	6.7
125.71818	1.9
131.03348	5.3
132.04430	7.0
134.06013	53.3
135.04398	2.6
146.06046	2.4
147.47302	2.0
149.05887	2.6
152.07051	8.0
152.98462	2.0
158.02344	3.8
160.03914	4.6
161.04431	9.6
173.04445	3.0
190.04980	14.3
191.05504	5.6
203.05547	3.1
213.10306	16.2
221.06693	4.3
225.10272	5.2
239.11836	3.9
241.13338	3.0
249.06834	3.5
249.10266	2.7
251.11806	2.6
265.09763	5.1
267.11322	16.1
277.09747	2.5
279.11359	3.1
285.12415	12.2
293.09259	2.7
293.12753	2.4
305.09225	9.1
313.13602	3.8
314.13098	2.9
316.14413	8.8
324.11203	2.4
327.13416	6.5
328.11053	2.7
330.12439	3.2
337.11935	6.6
340.10812	3.1
340.14505	25.4
342.12457	4.1
343.13239	3.6
344.14053	4.5
356.14111	6.6
357.14407	2.7
358.15555	7.5
358.20065	2.4
368.14127	2.9
370.15485	4.0
382.15585	3.8
383.13043	2.9
384.13419	16.3
397.14145	3.1
398.14877	7.6
399.15515	2.9
400.16483	3.4
410.14948	4.2
412.16751	4.8
416.16010	2.5
426.14493	3.2
485.22241	2.2
489.18933	4.1
531.20453	4.0
545.22272	3.5
573.21881	2.2
751.94849	2.2
783.19641	2.7
873.32092	16.1
874.32263	11.5
915.14661	4.0
915.33075	65.6
916.33710	12.6
947.35626	100.0
948.35455	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	1.9
70.89533	6.0
71.01251	91.0
72.99172	5.2
73.02435	3.1
73.02817	41.6
83.01254	11.2
85.02828	27.3
87.00757	5.3
89.02312	44.2
95.01247	6.2
99.00739	5.2
101.02321	55.7
107.96632	2.3
113.02326	41.2
119.03384	15.0
131.03386	2.9
143.03352	6.3
146.89880	2.0
149.02386	3.2
149.04428	2.5
153.09076	2.5
161.04449	19.2
163.11174	2.3
173.09616	4.8
178.27560	2.2
179.05464	5.5
189.12767	33.9
191.05449	2.4
202.11092	2.6
207.13753	4.3
227.03561	1.9
249.14413	2.4
254.81947	1.9
369.18982	16.0
386.06232	2.0
387.20233	48.7
388.20477	4.0
411.02750	2.2
429.21286	100.0
430.21536	8.6
431.19162	4.6
589.72021	2.7
808.87909	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	945.534
Annotation	Unknow
Peak:m/z	Relative Intensity
67.53925	0.1
78.57909	0.1
78.95773	50.3
96.96837	5.5
120.10123	0.1
150.97940	2.0
152.99483	100.0
153.99811	1.0
161.73062	0.1
171.00552	3.8
189.29813	0.1
209.11659	0.2
267.23245	0.1
277.21631	1.1
277.23953	0.1
362.29440	0.1
397.13568	0.2
431.21994	35.1
432.22305	2.4
508.21487	0.1
510.70840	0.1
514.52783	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	945.5347
Annotation	Unknow
Peak:m/z	Relative Intensity
67.28888	0.2
69.32202	0.2
69.32503	1.9
70.06339	0.2
71.01240	0.3
75.19349	0.2
78.95773	63.9
83.04809	0.2
85.50887	0.2
89.02303	0.3
96.96835	5.6
98.20566	0.3
99.92429	0.2
101.02291	0.2
112.19224	0.2
132.37740	0.2
138.51051	0.2
145.51619	0.2
150.97928	2.2
152.99481	100.0
153.69818	0.2
153.99756	1.0
158.72772	0.2
171.00533	2.8
209.11755	0.5
226.89667	0.2
226.92094	0.2
227.12822	0.6
277.21719	2.1
397.13477	0.5
431.21988	49.0
432.22275	3.3
757.34576	0.2
901.05109	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02821	0.6
82.07909	0.5
83.01255	1.8
85.02831	1.1
87.00745	0.7
93.03323	1.5
96.95866	1.3
98.20663	1.2
101.02324	1.4
107.01270	6.5
108.02052	1.1
109.02829	2.6
111.00764	0.7
113.02332	0.7
115.53288	0.5
119.01284	0.6
119.04922	0.8
121.02840	4.2
123.00751	1.1
123.04440	1.0
124.01588	1.2
125.02333	1.3
128.90887	0.6
133.02866	1.9
134.03621	1.5
135.00752	0.7
135.04425	2.1
137.02365	1.6
145.02786	0.9
146.03632	1.1
147.04425	2.3
148.01575	0.9
148.05211	0.6
149.02328	1.7
150.03127	1.6
151.00269	26.8
151.03810	0.7
155.04874	0.7
159.04431	2.5
160.01546	2.5
160.05168	5.5
161.02362	3.0
161.04494	0.8
161.05968	2.2
162.03076	0.6
163.00261	1.9
163.03877	2.4
164.01050	1.5
164.04665	2.4
165.01695	0.6
169.01364	2.7
171.04425	1.3
173.04466	1.6
173.05917	1.4
174.06906	0.6
175.00345	2.6
175.03955	3.5
175.07561	5.8
177.05428	2.4
178.06197	1.0
178.99762	6.4
179.03378	2.3
179.05472	0.7
183.04456	0.9
187.03918	0.9
189.01759	0.8
189.05515	0.8
190.99638	0.5
191.03667	0.5
191.05533	3.2
192.00629	0.7
193.01379	0.7
199.03937	4.7
201.01833	1.2
203.03473	1.5
211.03845	0.7
215.03409	2.9
221.04509	0.6
227.03424	4.6
237.27939	0.6
243.02942	7.1
245.04327	0.6
255.02953	9.7
256.03476	0.7
267.93381	0.6
271.02463	83.5
272.02948	4.9
273.03983	1.1
283.02460	1.2
284.03210	1.0
285.04062	0.9
299.01953	100.0
300.02707	62.8
301.03500	62.8
301.08463	1.0
302.03885	2.8
313.03543	0.8
313.14359	0.7
314.04425	0.8
315.05127	7.2
323.07639	1.2
329.13916	37.1
330.79865	0.6
343.04553	1.1
359.15097	3.7
361.16693	2.9
527.59161	0.6
575.97650	0.6
609.14594	24.3
610.15094	2.4
621.13007	0.7
638.12970	4.6
639.13495	32.3
640.13580	2.6
648.60742	0.6
947.24615	42.6
948.24506	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03302	1.7
71.01255	20.2
71.04893	2.2
71.58868	2.1
72.99180	1.7
73.02821	2.9
74.24244	1.1
77.55782	1.1
81.78230	1.2
83.01250	3.1
85.02814	3.2
87.00750	5.6
89.02306	11.4
95.01276	2.2
96.95947	1.6
97.02827	12.2
97.06477	3.5
99.00757	26.7
101.02323	11.6
109.06495	1.7
110.03654	1.3
113.02345	5.6
119.03389	1.2
123.08071	1.6
125.02341	8.1
125.09602	7.6
135.08064	1.8
142.02710	2.6
143.03383	1.6
163.11147	13.9
179.05510	3.3
181.12251	20.4
199.13289	2.8
207.10193	64.7
208.10478	3.0
211.13350	1.8
225.11267	95.6
226.11551	3.7
235.08102	1.5
243.12332	29.6
244.12668	2.0
263.07675	1.7
277.21707	70.9
278.22052	4.9
287.70978	1.2
329.05127	1.3
343.12433	1.4
346.62305	1.2
379.12250	2.0
397.13602	13.5
415.14688	1.5
436.68188	1.3
468.78918	1.4
605.24512	25.8
606.24658	3.6
623.25476	13.4
883.46918	100.0
884.47101	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03330	2.6
71.01254	17.9
71.04902	1.4
72.99179	2.0
73.02817	3.8
75.00753	1.3
81.03320	2.1
81.38152	1.2
81.53515	0.9
83.01263	1.4
83.04857	1.3
85.02808	6.6
87.00749	7.5
89.02312	8.5
93.03325	0.9
95.01266	1.5
97.02821	10.6
97.06470	1.9
98.20657	2.1
99.00751	21.9
99.01343	1.8
101.02314	10.9
109.06474	2.3
110.03604	2.6
111.04438	1.3
113.02331	6.2
119.03359	1.6
123.07993	2.0
125.02329	7.1
125.09610	8.4
135.08066	1.3
136.05191	1.3
137.91026	0.9
142.02605	2.7
143.03436	1.5
155.52057	0.9
161.04495	2.0
161.68503	0.9
163.11206	10.7
179.05585	1.7
181.12251	23.8
189.99866	1.1
197.11758	1.0
199.13368	5.0
207.10191	66.2
208.10551	4.1
225.11261	100.0
226.11626	4.4
229.98318	1.3
235.08229	2.3
243.12346	38.0
244.12627	1.6
263.07602	1.5
277.21707	56.8
278.22003	4.3
279.23373	1.0
287.07877	1.1
317.15988	3.1
393.80548	1.1
397.13394	8.3
401.51413	1.1
401.57004	0.9
415.14767	1.2
454.55814	1.1
461.20004	1.6
565.65210	1.3
605.24451	30.0
606.24756	3.2
623.25537	28.3
624.25690	3.3
633.03186	1.1
848.50287	1.0
883.46924	95.4
884.47070	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	937.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	10.8
89.02314	8.4
101.02322	11.8
116.92708	4.4
119.03358	4.0
126.74043	3.5
164.90405	3.3
179.05600	5.2
183.13895	6.2
211.13336	100.0
212.13765	4.9
229.48978	4.9
246.18161	3.4
248.74789	3.5
277.21671	45.3
379.12433	10.0
397.13403	41.1
415.14670	6.8
591.26581	21.8
609.27924	20.0
869.48596	11.9
937.49475	37.7
938.49097	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	937.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01261	13.2
71.57503	4.6
73.88768	3.2
74.21938	3.4
77.68638	3.5
88.68634	3.6
89.02325	10.0
97.33949	3.1
101.02315	9.9
113.02329	9.0
116.92736	6.2
125.02335	7.0
129.61929	3.2
143.03299	3.2
179.05536	5.4
183.13901	3.7
211.13316	100.0
212.13783	4.5
235.08113	4.3
277.21692	61.5
305.08774	4.4
352.94873	3.1
379.12393	13.2
397.13501	55.8
398.13507	3.8
415.14572	11.4
591.26227	19.9
609.27283	8.0
657.35156	7.0
675.35883	10.4
869.48853	14.2
937.49231	47.7
938.49951	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	939.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03330	5.2
69.33934	3.9
71.01247	66.6
71.50277	6.7
73.02821	18.3
83.01250	14.4
85.02819	29.1
87.00757	5.1
89.02329	6.1
95.01286	9.5
96.95898	14.1
97.02839	8.3
99.00748	8.1
101.02318	34.8
104.07996	3.8
113.02299	27.0
119.04903	5.9
125.02357	17.1
135.04469	4.6
137.02339	5.2
139.49832	4.1
143.03409	9.2
149.06003	10.0
161.04471	13.6
161.19847	4.0
209.08110	19.7
276.90363	4.9
356.79333	4.6
538.94812	5.1
559.39020	4.9
605.40723	7.2
749.44598	22.3
767.45697	7.9
774.25092	4.9
791.45850	17.6
809.46783	100.0
810.47125	15.0
851.48029	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.6421
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01234	1.9
71.58498	0.5
73.02801	0.8
81.03339	0.7
83.04896	0.7
84.41920	0.4
85.02812	0.9
87.00729	0.6
89.02300	0.7
93.03327	1.2
96.95898	2.8
101.02314	0.9
118.35139	0.5
119.04887	0.9
125.02315	1.4
133.04916	0.6
134.03587	1.3
135.04379	1.0
137.02336	0.7
149.02264	0.6
149.25529	0.4
150.03107	1.3
160.01553	2.0
163.03825	0.5
165.05492	1.2
173.04463	1.0
175.03889	1.8
176.07018	0.5
179.03357	0.9
191.03575	0.9
191.05486	1.9
193.04965	2.0
195.06523	0.9
337.09290	1.9
355.76685	0.5
367.10013	0.7
416.72748	0.5
451.33008	0.9
538.68280	0.5
724.83374	0.6
903.66681	3.2
904.65588	0.7
939.64154	100.0
940.64319	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48910	4.3
71.01253	14.5
71.01623	0.5
72.99130	1.6
73.02788	1.4
80.04917	2.6
82.60923	0.7
83.01205	1.9
85.02822	5.1
87.00709	1.0
89.02318	8.6
93.03281	0.7
95.01204	1.6
96.95892	6.3
99.00723	0.9
100.19210	0.5
101.02327	9.2
104.04911	1.2
106.06500	4.5
108.04417	0.5
113.02321	5.1
119.03375	3.3
120.04430	0.6
120.08039	1.4
121.05209	1.3
122.06007	8.9
125.02253	1.0
125.23167	0.5
131.03323	0.7
132.04431	2.6
134.06010	27.9
135.06306	0.7
148.03885	1.3
149.04367	2.1
152.07074	3.8
158.02322	0.6
160.03882	1.5
160.06313	2.6
161.04451	0.8
162.03069	0.6
173.04543	1.0
174.05409	1.5
190.04997	3.3
191.03407	1.1
191.05426	1.9
192.21349	0.5
197.06953	0.8
203.05611	0.5
213.10260	16.1
213.12274	1.1
214.10548	0.7
214.12424	0.6
223.08714	1.0
225.10231	2.0
226.10973	1.6
227.11720	1.1
237.10263	1.1
239.11848	10.4
241.13416	9.0
242.13728	0.6
249.10361	0.8
251.11905	2.7
263.08112	0.9
265.09940	1.3
267.11197	1.7
277.09778	1.8
278.10434	1.5
279.11288	1.2
285.12460	24.7
286.12634	1.5
291.07617	0.6
292.08322	1.0
293.12891	2.9
295.10797	0.8
305.09341	2.8
307.10831	1.0
309.08694	0.9
309.12180	0.7
314.12469	1.3
316.14468	1.7
328.10748	2.5
328.14359	1.0
329.11453	0.5
330.16129	0.7
332.17365	0.9
337.11835	2.2
340.10690	0.8
340.14398	2.3
342.12320	1.9
343.13162	3.3
344.13696	1.9
354.12363	1.3
355.13000	0.9
356.14026	2.7
356.17770	1.1
357.14761	2.1
358.15579	8.4
359.15991	1.0
368.10175	1.9
368.13806	1.2
369.14804	0.8
370.11707	1.4
370.15805	2.6
372.17026	2.4
382.11310	0.7
382.15811	1.0
383.12424	0.8
384.13116	5.3
384.17316	1.8
385.14005	1.7
396.13422	1.9
397.14139	2.1
398.15091	3.8
399.15561	1.3
400.11731	0.8
400.16669	10.7
410.15002	1.0
412.16644	9.8
413.17206	0.9
426.14456	2.1
438.14542	1.0
444.15536	3.6
475.16983	0.7
490.20328	0.7
505.22415	1.5
506.23273	0.7
517.18323	1.6
545.22211	1.1
547.22852	0.9
563.23059	2.0
573.20941	1.8
591.22388	1.7
699.29468	0.8
725.28058	1.8
726.28650	0.6
727.29663	5.3
743.29236	2.2
744.29736	0.6
753.27570	2.1
759.32611	1.1
771.28796	100.0
772.28986	14.7
803.31427	41.9
804.31647	5.8
903.32642	4.7
935.35645	20.7
936.35797	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	935.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01244	0.7
71.58260	0.2
73.02814	0.2
85.02814	0.3
89.02303	0.5
91.01759	0.3
93.03333	1.0
99.00793	0.1
101.02318	0.3
108.02051	1.1
109.02835	4.5
113.02322	0.3
119.04885	0.2
121.02837	10.9
122.03631	5.0
123.00745	0.6
123.04434	1.7
124.01541	0.8
129.03352	0.3
134.03615	0.3
134.57092	0.1
135.04405	1.3
136.01512	0.2
136.05200	2.5
137.02338	2.8
137.06042	0.1
138.03127	0.6
143.04858	0.2
145.06544	0.2
146.03641	1.0
147.04414	7.4
148.05228	0.7
149.04434	0.5
149.05974	0.6
150.03131	1.7
151.03879	1.0
153.01753	0.2
153.05388	0.1
154.02591	1.1
159.04382	0.4
160.05214	2.9
161.02339	0.5
161.05984	11.3
162.06781	5.7
163.03937	0.4
163.07135	0.3
164.04668	0.8
165.05482	7.8
166.05882	0.2
168.04198	1.0
172.05179	0.2
173.05978	2.8
174.06760	1.2
175.03941	0.7
175.07555	3.0
176.04700	1.3
176.08308	1.8
177.05537	0.7
177.09087	0.4
178.06197	0.4
179.03426	0.2
179.07027	2.5
187.07591	0.3
189.05511	0.2
189.09103	0.5
190.06323	1.1
191.05482	0.6
191.07054	0.8
193.05005	0.7
203.06976	0.1
205.08627	0.2
207.06480	0.3
209.08124	0.2
223.09679	0.4
235.09698	0.2
267.10196	0.4
268.07474	0.5
279.10349	0.2
280.11002	0.5
281.12048	0.3
282.08997	0.3
283.09756	1.2
295.13559	0.2
297.11313	2.2
298.12073	6.3
299.01901	0.2
299.12421	0.6
300.02863	0.1
311.12854	3.4
312.09918	0.5
312.13129	0.2
313.14435	17.6
314.14865	1.2
315.12360	0.8
316.13107	0.7
325.14441	0.3
327.12299	2.0
328.13071	1.0
329.13651	0.2
330.14304	0.2
331.15332	0.9
343.15485	5.3
344.15939	0.4
346.14209	4.3
347.14404	0.2
361.16534	100.0
362.16852	7.2
405.15643	0.3
433.15204	0.2
561.47858	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	934.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88302	7.2
69.88718	7.0
71.01254	18.0
73.02813	2.9
83.01257	2.8
87.00742	2.4
89.02299	11.9
97.02827	2.7
98.19859	4.7
101.02301	11.6
101.92158	2.4
113.02348	6.2
119.03378	4.2
125.02338	4.4
129.01582	2.6
161.04501	3.2
171.57631	2.6
179.05551	3.0
183.13860	12.0
184.14081	5.3
195.13864	8.5
196.14153	7.5
213.14877	100.0
214.15236	68.7
215.15474	24.9
216.15753	5.3
235.08241	4.5
267.66965	2.4
277.21747	31.0
278.22128	34.9
279.22302	10.6
280.22589	3.1
342.12616	2.6
380.12680	3.3
381.12906	4.5
397.13309	22.4
398.13715	20.3
399.13803	22.0
400.14197	6.9
415.14462	5.6
416.15173	3.6
417.15051	6.0
472.97971	3.1
596.29266	2.5
755.87408	2.5
804.07916	2.6
853.99158	2.7
895.75140	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	934.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
64.88611	4.1
71.01245	20.7
71.58613	6.3
72.01583	5.1
85.02839	6.9
89.02328	17.1
89.42742	4.2
101.02323	16.7
113.02300	8.9
118.09132	4.1
122.68372	4.0
146.76393	4.3
183.13841	13.1
195.13849	15.7
213.14886	100.0
214.15231	58.9
215.15521	19.1
232.01759	4.5
234.18755	4.7
258.40710	4.9
277.21774	40.1
278.21991	41.5
279.22330	14.9
280.22803	4.9
390.50375	6.0
397.13437	20.4
398.13708	17.5
399.14072	19.1
400.14139	6.9
416.14914	4.5
617.93451	5.8
951.19513	6.8
951.47333	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	921.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	4.4
71.01253	100.0
71.59150	2.9
72.99158	5.4
73.02817	63.6
75.00749	2.7
81.03304	2.0
82.93629	1.8
83.01250	22.3
85.02818	22.3
87.00711	3.2
89.02319	39.4
92.52397	1.7
93.03343	3.4
95.01254	4.4
96.95896	7.0
97.02822	3.0
98.36494	1.9
99.00747	4.1
99.04363	2.0
101.02323	85.4
101.03002	4.2
102.02650	2.5
113.02332	47.0
119.03398	13.6
121.02845	1.7
125.02305	4.4
131.03406	8.3
135.04453	2.2
143.03426	8.4
149.04448	12.8
161.04465	26.7
167.03371	1.9
173.04448	6.2
178.91576	1.6
179.03493	2.5
179.05515	5.6
191.05533	6.2
203.05472	4.2
221.06621	7.3
240.20485	1.7
277.55115	2.2
313.16574	14.9
331.17743	11.3
341.09015	3.3
371.20532	6.9
373.18668	84.5
374.18832	6.2
503.17319	2.9
503.25000	52.6
504.25363	4.7
650.41180	2.0
688.02075	2.2
703.22021	1.8
885.05829	2.0
916.37433	2.3
958.61267	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
71.01251	15.1
71.06712	1.3
72.99177	1.4
73.02825	1.9
78.95763	0.8
83.01259	2.3
85.02817	3.8
87.00741	4.2
89.02316	12.3
95.01256	1.3
96.95889	3.1
97.02834	2.2
101.02321	9.8
111.05482	0.7
113.02335	6.3
119.03390	2.9
125.02348	5.3
143.03374	2.5
145.05074	0.8
152.99464	0.8
154.52151	0.7
161.04485	4.2
167.14323	1.2
172.77100	0.9
179.05521	2.8
183.13788	7.6
193.12250	1.3
199.06259	0.8
211.13332	100.0
212.13637	4.0
217.07346	0.9
221.06702	1.0
235.08191	3.6
253.09323	1.9
277.21713	51.1
278.22079	3.8
281.08887	0.9
287.07831	1.4
305.08838	1.7
318.14719	0.8
323.09647	1.0
379.12460	9.0
397.13507	31.8
398.13742	3.4
415.14343	7.0
571.55774	0.8
591.26654	7.6
609.27515	6.3
657.35303	1.5
675.35919	1.7
683.58734	0.9
687.92737	0.9
909.41901	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5427
Annotation	Unknow
Peak:m/z	Relative Intensity
66.51456	0.8
69.03325	1.0
71.01257	10.2
71.58640	1.0
73.02820	1.0
75.19707	0.8
81.03339	1.1
83.01254	1.0
85.02827	3.4
87.00755	1.5
89.02319	7.7
94.80357	0.8
96.95901	1.7
97.02831	2.0
101.02321	7.8
109.02894	0.9
113.02338	5.4
119.03399	2.5
125.02324	3.5
136.63257	0.8
143.03374	1.7
161.04460	3.7
179.05548	2.7
183.13809	12.3
195.13843	11.4
213.14899	100.0
214.15193	2.5
221.06482	1.5
235.08226	4.6
249.97824	0.9
253.09343	1.9
279.23288	48.7
280.23688	2.0
287.07651	1.9
305.08673	1.8
379.12350	4.5
389.40012	1.0
397.13434	36.7
415.14636	11.5
475.38025	1.5
593.27960	2.4
611.29053	3.2
677.37305	2.1
933.49603	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00469	1.0
59.01250	15.4
62.78554	0.2
67.01741	0.3
68.99687	0.3
69.03321	1.1
71.01250	15.4
71.29939	0.3
71.30272	0.3
72.99171	1.5
73.02812	2.3
75.00743	0.5
78.95770	0.3
81.03333	0.7
83.01254	2.6
83.04886	0.3
85.02821	4.0
87.00745	4.0
89.02312	11.2
93.03339	0.3
95.01257	1.0
97.02818	2.4
99.00788	0.9
101.02319	11.8
106.34049	0.2
109.02821	0.3
111.00723	0.3
111.04400	0.5
113.02323	7.1
115.03931	0.3
119.03384	3.0
121.02822	0.4
124.01534	0.3
125.02335	6.1
125.09607	0.8
127.11194	2.3
131.03391	0.7
133.04947	0.6
137.02327	0.3
139.03908	0.4
143.03400	2.8
145.04898	0.3
152.99500	0.3
153.09050	0.6
161.04459	4.3
167.03404	0.4
171.10175	100.0
172.10532	4.0
179.05508	2.9
185.11760	0.5
199.06023	0.6
213.11240	0.5
217.07123	1.0
221.06587	0.8
222.36302	0.2
226.11147	0.2
235.08185	5.3
245.06847	0.3
253.09219	1.7
259.08185	0.4
275.20233	0.3
277.21707	52.8
278.22073	4.3
287.07742	1.3
291.23193	0.4
301.09109	0.2
305.08832	1.4
323.09787	0.9
361.11243	0.4
379.12439	8.6
380.12772	0.3
397.13477	33.9
398.13843	2.0
399.85062	0.2
415.14566	7.8
416.14899	0.3
551.23541	1.1
569.24579	1.7
657.35376	0.3
675.36267	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.4
69.25468	0.9
69.25879	4.1
71.01244	0.6
89.02318	0.6
96.82395	0.4
121.02834	0.5
124.26446	0.6
129.36070	0.4
133.02864	5.6
134.03629	1.5
135.04430	2.9
137.02295	1.7
161.02344	22.0
162.02687	1.0
171.10170	2.1
178.02608	0.7
179.03407	2.0
200.71469	0.5
211.13338	3.0
243.48518	0.4
277.21732	2.2
289.18192	0.6
307.19174	0.5
315.15988	100.0
316.16315	7.6
327.54688	0.4
397.13208	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.1991
Annotation	Quercetin 3-(6'''-sinapylglucosyl)(1->2)-galactoside
Peak:m/z	Relative Intensity
59.01255	5.8
61.98700	0.9
63.02264	1.3
65.00190	4.0
65.44291	0.7
69.49706	0.9
69.50119	5.3
71.01250	3.8
73.30869	0.8
79.75525	0.6
83.01248	1.9
85.02802	1.2
89.02322	1.0
93.03326	2.2
95.01274	0.9
96.95869	1.4
97.65804	0.7
98.20602	1.4
99.04328	0.7
101.02338	1.2
107.01265	7.4
109.02824	2.7
113.02333	1.0
119.04900	0.7
121.02837	2.6
122.03561	0.8
123.15253	0.7
125.02317	1.2
133.02863	0.9
135.04422	1.7
137.02347	0.9
139.03891	0.9
145.02841	0.8
147.00728	1.0
149.02319	1.5
149.05930	2.5
150.03076	1.8
151.00259	24.3
153.01862	1.0
163.00273	2.2
164.04669	1.2
169.01326	2.2
171.04404	1.6
173.04391	1.3
175.00278	3.2
175.03920	1.6
176.01056	2.0
177.01866	1.1
178.99770	5.8
179.03329	0.9
187.03897	1.6
190.02635	3.1
191.03380	2.8
191.05536	5.7
193.01300	1.6
199.03886	5.9
201.01840	1.8
205.04930	2.2
206.97293	0.8
209.08148	2.6
215.03426	3.1
223.06303	0.8
226.02583	1.9
227.03441	6.4
243.02994	7.2
250.11374	0.7
254.02316	1.4
255.02840	3.9
271.02466	77.4
272.02942	5.1
283.02386	2.2
299.01941	100.0
300.02676	36.7
301.03500	58.2
301.08575	1.0
302.03848	2.7
309.15256	0.9
313.03552	1.1
314.04364	1.0
315.05084	13.9
343.04776	1.1
353.08951	4.4
361.16312	1.7
413.14465	3.8
429.92609	0.8
463.08801	15.2
464.08829	1.8
477.10535	1.1
483.06461	1.0
547.10797	1.6
668.13904	8.0
669.14563	49.3
670.15088	6.4
831.19891	37.4
832.20087	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	831.306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	94.8
60.01593	1.8
70.76485	4.0
71.01250	13.1
73.02808	5.3
75.00709	1.3
78.95757	1.1
83.01229	1.9
85.02831	8.3
89.02306	6.8
93.03336	3.2
96.95884	3.5
101.02312	7.7
106.04121	2.4
107.04883	1.6
108.02080	2.3
109.02871	1.6
111.00775	1.3
113.02332	6.0
119.04903	1.6
123.00738	3.4
123.04383	1.3
125.02290	2.8
133.81340	1.2
135.04413	1.6
137.02344	4.8
138.03117	3.7
139.00270	4.9
139.03874	1.9
143.03436	1.4
147.04451	1.7
147.08028	4.1
149.02376	3.0
149.05980	100.0
150.03084	2.7
150.06331	4.1
151.00269	24.3
151.03893	2.8
152.00981	3.4
153.01738	2.1
153.05463	4.0
160.01617	1.5
161.02330	3.0
161.04486	1.5
162.03070	1.5
163.03862	1.7
164.04704	4.2
165.01833	28.7
165.05475	3.3
166.02625	55.3
167.03273	4.0
173.04491	1.9
173.06007	1.4
174.03128	2.3
175.03931	8.0
176.04727	3.7
177.01808	2.8
177.05492	2.9
177.09369	1.1
179.03416	14.2
179.07050	4.0
180.04211	25.6
181.04984	58.5
187.03851	1.7
189.05499	2.9
190.06219	2.6
191.03462	3.9
191.05507	5.4
191.07074	3.4
192.04156	3.3
193.04982	2.7
194.05817	11.2
195.06558	54.8
196.06848	2.6
203.03485	1.7
205.04979	2.6
205.08600	2.5
206.05844	4.1
207.06511	2.7
209.08128	95.5
210.08432	3.0
219.06511	1.7
221.08159	5.1
233.08269	1.7
251.09137	2.8
293.04391	2.5
296.06894	1.5
302.07959	1.2
307.06058	2.3
308.06726	2.6
309.03989	2.1
309.07526	1.5
322.08331	2.6
323.09204	8.6
324.06229	3.3
324.09900	1.4
327.08548	2.1
338.11526	6.8
339.08679	6.7
339.12283	1.7
342.11041	2.9
343.11673	1.9
354.11072	4.5
357.09622	2.0
357.13464	5.6
369.13376	10.0
370.14301	1.3
372.11981	6.0
387.14471	87.7
388.14792	9.0
389.63275	1.2
399.14249	2.4
405.15479	3.4
413.09186	2.2
413.14523	43.8
414.14645	3.3
417.15598	7.8
418.15747	1.5
447.16647	34.9
448.17123	4.7
459.16330	2.2
477.17654	50.9
478.18005	5.3
519.18756	2.1
597.22577	1.9
609.23163	2.5
623.30548	2.1
627.24146	5.6
641.31812	2.9
701.33716	1.7
831.30499	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	831.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30361	0.4
59.01247	34.5
67.49444	0.4
69.03329	1.2
71.01251	18.0
71.58412	0.6
72.99176	1.1
73.02814	11.2
78.95763	1.1
83.01247	3.7
85.02821	6.2
87.00743	1.3
89.02320	5.2
95.01274	2.0
96.95878	8.4
97.02829	0.6
98.95409	0.6
99.00755	1.0
99.04418	2.5
101.02322	12.0
107.04906	0.7
108.02060	0.6
109.02798	1.0
109.54955	0.5
113.02332	7.2
119.03375	1.8
119.08568	1.5
123.00748	0.6
124.01585	0.8
125.02317	1.5
135.04401	0.7
137.02316	2.3
137.09624	3.3
143.03386	0.8
149.02350	0.8
149.04434	0.5
149.06024	0.5
150.03058	0.6
151.00258	4.4
161.04480	1.8
165.01845	0.5
165.05363	0.6
165.12901	0.4
166.02631	13.9
167.03230	0.9
175.03825	0.5
177.01807	0.6
181.03378	1.0
181.04980	17.3
181.08589	1.0
182.05312	0.5
190.06192	0.6
191.03520	0.8
191.05434	0.7
200.08231	0.5
205.04929	1.4
206.05740	1.0
207.06523	0.7
209.08138	0.7
220.07483	0.6
221.08115	1.2
247.16905	0.8
304.02597	0.5
317.21149	1.7
319.22720	2.5
335.22214	1.1
359.11072	0.5
372.12030	1.5
387.10608	2.4
387.14877	5.4
398.19489	0.5
401.15839	0.5
402.12875	2.8
417.15540	21.5
418.15851	1.6
431.17062	0.8
479.26355	1.9
497.27426	4.8
498.27985	0.6
511.07410	0.5
521.27228	2.7
539.28564	100.0
540.28900	10.3
581.29871	1.2
597.23376	1.8
614.28241	0.5
627.24518	8.9
628.24481	1.1
830.85840	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.324
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00451	2.4
59.01249	70.4
66.93076	1.8
71.01249	42.3
72.99192	2.8
73.02823	9.9
73.63257	2.8
78.95807	2.6
83.01291	5.1
85.02811	13.5
87.00751	4.8
89.02309	27.7
92.68037	1.9
93.03307	2.3
95.01273	3.6
96.25198	2.0
96.95892	8.8
101.02322	24.2
102.51640	2.5
106.06501	5.9
113.02328	17.4
114.83337	2.1
118.34626	1.9
119.03377	8.2
121.25721	1.9
122.05998	11.5
125.02328	3.6
131.03429	2.4
134.06021	47.8
135.04451	4.1
147.04395	4.9
150.53732	2.2
152.07060	11.5
159.49017	2.1
161.04541	3.4
163.03883	2.3
165.05524	2.8
173.04407	2.7
186.05537	5.0
190.04935	2.9
191.05530	3.1
192.06543	2.4
195.44781	2.0
223.08740	2.0
225.07655	4.4
225.10194	3.3
234.07890	1.9
235.08679	5.0
237.10254	6.5
239.11906	2.7
241.09778	13.7
249.06697	2.2
249.10359	4.9
250.07433	8.4
251.08267	3.9
252.08920	3.7
263.08240	8.7
265.09830	27.7
267.11447	2.4
276.09039	4.0
277.09787	16.6
278.06952	10.4
283.10785	2.7
290.06860	3.8
291.07700	6.3
291.10977	2.1
292.08459	3.4
293.09320	98.5
294.09674	8.0
304.08484	2.2
305.09286	32.9
306.09882	4.4
308.08099	2.6
314.12473	5.5
315.13455	23.5
329.10321	2.1
337.08304	6.3
337.12082	2.4
356.13776	2.7
368.14001	2.7
370.15598	2.9
382.11649	3.5
383.12582	3.4
395.12646	2.2
398.15002	14.7
399.15775	3.4
410.15161	5.3
412.16669	6.4
424.12836	2.2
440.16119	10.5
441.16736	2.9
517.17804	10.8
579.22009	2.7
592.23065	5.4
620.22382	25.9
621.22229	2.8
634.23785	4.0
643.33099	5.4
645.31158	2.4
652.24854	4.0
661.34216	2.7
664.21448	54.7
665.21783	5.5
671.40411	2.7
678.23419	2.6
679.23621	34.7
680.24658	3.0
685.35028	3.9
696.24170	24.6
703.35168	2.7
710.24609	3.8
711.26172	12.9
725.28284	40.2
726.28302	6.6
735.37622	2.8
757.30737	14.4
769.26758	8.4
801.29895	100.0
802.29810	17.2
833.32495	41.0
834.32190	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	833.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	31.2
60.01580	0.2
60.99181	0.2
65.10168	0.2
70.35303	0.5
70.35722	0.4
71.01247	0.5
83.01264	0.2
85.02844	0.5
87.00762	0.4
93.03342	0.7
93.75745	0.2
96.95888	0.8
106.04108	1.4
107.04940	1.1
108.02051	0.5
111.73522	0.2
113.02338	0.3
119.04937	0.4
128.63257	0.2
135.04398	0.8
138.03110	0.3
145.06529	0.4
147.04439	0.9
147.08052	2.1
149.05981	49.4
150.06329	2.0
159.04425	0.2
161.05971	0.6
163.03961	0.4
163.07545	0.3
173.04443	1.0
175.03996	0.2
181.04922	0.2
191.05493	0.3
207.06602	0.3
209.08128	100.0
210.08459	5.3
253.41229	0.2
270.83649	0.2
337.07068	0.3
339.08774	0.3
352.09384	0.2
353.10486	0.3
367.11755	0.7
411.10745	0.3
426.12991	0.2
427.14044	1.2
441.15332	0.4
509.27414	0.3
573.21106	0.3
591.22327	2.3
592.22870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32453	2.9
59.01249	100.0
59.47966	3.0
61.98720	6.0
64.51454	2.8
71.01252	17.3
71.58390	6.5
75.00735	22.5
85.02826	4.2
89.02342	6.0
90.97013	4.0
95.01329	3.4
95.47575	2.9
96.95895	18.5
101.02329	9.3
107.15917	2.9
113.02373	2.9
115.00281	2.9
118.96520	8.2
146.96034	3.2
156.91481	7.2
156.99020	32.6
157.01076	7.7
161.04327	3.6
235.08217	5.1
277.02399	3.1
277.21701	21.1
361.04456	6.9
397.13431	41.5
407.17413	12.6
415.14474	12.0
435.08188	9.7
453.09314	37.8
495.10431	4.7
549.47791	3.1
675.35352	4.1
713.30658	47.3
714.31110	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	835.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19415	0.9
59.01250	39.9
60.01568	1.1
69.26418	6.1
69.26846	2.5
70.75803	0.7
71.01251	5.5
73.02824	2.2
83.01261	1.2
85.02824	6.8
87.00722	1.8
89.02300	2.4
93.03339	4.3
95.01251	0.9
96.95888	4.2
97.02824	0.9
101.02312	5.1
106.04117	0.9
107.04839	1.0
108.02033	0.9
109.02818	5.0
113.02314	2.6
114.19578	0.9
119.04893	1.5
121.02845	41.5
122.03625	1.4
123.00751	2.3
123.04390	1.6
124.01554	1.0
129.22269	0.7
133.02924	0.8
135.04420	3.8
137.05902	0.8
138.03009	1.3
145.06482	2.3
147.04416	6.5
147.08104	1.5
149.05977	24.2
150.03084	0.8
151.00261	7.7
152.00958	1.1
153.02138	1.0
153.05481	1.3
161.06013	1.0
163.03905	1.2
163.07552	8.8
164.04671	1.2
165.01828	2.1
165.05482	94.2
166.02618	16.9
166.05777	3.2
173.04453	1.6
175.03888	2.3
177.01758	1.4
177.05434	0.9
179.03444	1.9
179.07002	4.9
180.04109	1.5
181.04976	20.2
189.05508	2.5
190.06357	0.8
191.03409	1.4
191.05479	1.6
191.07066	1.8
192.04271	1.1
195.06487	2.2
197.05928	0.8
203.03505	3.8
207.06551	7.3
209.08128	54.2
209.11728	5.1
210.08467	2.8
218.05788	1.7
221.08243	1.3
225.07635	100.0
226.08008	4.7
227.12993	1.3
233.08163	4.1
239.07051	1.7
239.09204	3.8
241.09897	1.8
242.10004	1.0
249.07651	1.1
250.35110	0.8
256.12103	1.7
257.12347	1.1
287.05688	3.7
288.06299	1.6
289.07297	1.1
291.55106	0.8
302.08023	4.5
303.08588	2.5
315.13644	1.5
316.13745	0.9
317.10190	3.7
317.13837	1.3
328.26825	0.8
336.09967	1.0
370.09998	0.9
385.12772	6.4
387.14310	1.3
397.13385	2.5
399.14420	2.9
415.14047	8.7
445.15390	1.1
501.31076	0.9
505.17197	2.3
519.18390	1.8
520.19269	0.9
543.31873	7.7
562.35175	0.9
595.22321	1.2
607.21851	2.3
607.78076	0.9
613.22803	2.9
625.22974	16.3
626.23499	2.3
643.23932	20.3
644.24371	3.2
645.34576	1.1
685.24634	1.8
708.94849	0.9
736.35663	1.0
747.37061	1.6
759.07489	0.9
817.30780	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	835.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37154	0.8
59.01247	45.2
61.98690	5.7
63.20123	0.8
63.98568	0.8
68.69734	0.9
71.01250	3.7
80.11588	0.8
83.01245	1.0
85.02820	4.5
85.15178	0.9
85.65317	1.0
85.81686	0.8
87.00749	2.8
87.56800	1.0
93.03350	3.8
96.95883	3.1
101.02337	1.9
107.04912	1.7
108.01964	1.0
109.02822	5.1
119.04859	1.6
121.02836	38.7
122.03618	3.5
123.04324	1.3
124.01513	1.1
132.04723	0.8
134.03654	1.1
135.04416	26.8
136.04729	1.2
137.02316	1.8
137.06027	0.9
141.91881	1.0
143.04950	1.2
145.06529	2.6
146.06970	1.0
147.04382	7.9
147.08005	1.0
149.02316	2.1
149.05975	33.0
150.06313	2.5
151.00313	1.0
151.03879	0.9
159.04358	1.2
161.02316	1.8
161.05974	28.1
162.02991	0.9
162.06528	1.7
163.03929	1.9
163.07535	10.1
164.04652	2.5
165.01772	2.1
165.05476	78.2
166.02689	1.8
166.05820	2.7
175.03914	1.4
176.04675	1.2
177.01814	7.7
177.05470	2.3
178.02608	2.4
179.07036	10.8
180.04135	1.9
181.04997	2.2
189.05553	1.8
191.05484	1.5
191.07060	3.7
192.04230	6.9
193.04968	3.0
194.05664	1.1
195.06601	2.5
207.06541	17.3
209.08122	55.6
209.11624	1.9
210.08495	5.1
215.11676	1.1
223.09700	1.3
224.06879	14.1
225.07622	100.0
226.07921	5.9
239.06958	1.4
239.09235	22.1
239.11653	1.9
257.12845	2.0
267.08649	1.3
293.09351	1.1
295.10818	2.2
344.40018	0.8
385.12766	3.0
403.14182	1.6
415.13983	2.4
435.14523	2.5
471.16486	3.2
543.31860	1.4
595.21863	1.4
607.21796	8.7
608.21613	1.7
625.22937	2.0
643.23767	4.7
759.28516	3.4
817.30707	2.0
818.30560	1.3
835.30646	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	835.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37154	0.8
59.01247	45.2
61.98690	5.7
63.20123	0.8
63.98568	0.8
68.69734	0.9
71.01250	3.7
80.11588	0.8
83.01245	1.0
85.02820	4.5
85.15178	0.9
85.65317	1.0
85.81686	0.8
87.00749	2.8
87.56800	1.0
93.03350	3.8
96.95883	3.1
101.02337	1.9
107.04912	1.7
108.01964	1.0
109.02822	5.1
119.04859	1.6
121.02836	38.7
122.03618	3.5
123.04324	1.3
124.01513	1.1
132.04723	0.8
134.03654	1.1
135.04416	26.8
136.04729	1.2
137.02316	1.8
137.06027	0.9
141.91881	1.0
143.04950	1.2
145.06529	2.6
146.06970	1.0
147.04382	7.9
147.08005	1.0
149.02316	2.1
149.05975	33.0
150.06313	2.5
151.00313	1.0
151.03879	0.9
159.04358	1.2
161.02316	1.8
161.05974	28.1
162.02991	0.9
162.06528	1.7
163.03929	1.9
163.07535	10.1
164.04652	2.5
165.01772	2.1
165.05476	78.2
166.02689	1.8
166.05820	2.7
175.03914	1.4
176.04675	1.2
177.01814	7.7
177.05470	2.3
178.02608	2.4
179.07036	10.8
180.04135	1.9
181.04997	2.2
189.05553	1.8
191.05484	1.5
191.07060	3.7
192.04230	6.9
193.04968	3.0
194.05664	1.1
195.06601	2.5
207.06541	17.3
209.08122	55.6
209.11624	1.9
210.08495	5.1
215.11676	1.1
223.09700	1.3
224.06879	14.1
225.07622	100.0
226.07921	5.9
239.06958	1.4
239.09235	22.1
239.11653	1.9
257.12845	2.0
267.08649	1.3
293.09351	1.1
295.10818	2.2
344.40018	0.8
385.12766	3.0
403.14182	1.6
415.13983	2.4
435.14523	2.5
471.16486	3.2
543.31860	1.4
595.21863	1.4
607.21796	8.7
608.21613	1.7
625.22937	2.0
643.23767	4.7
759.28516	3.4
817.30707	2.0
818.30560	1.3
835.30646	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	835.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00424	1.1
59.01247	35.0
69.56582	7.5
71.01247	21.6
72.99194	2.0
73.02808	1.5
80.04945	1.5
83.01273	1.9
85.02840	6.2
87.00763	1.9
89.02311	12.6
90.80197	0.9
99.00792	1.0
101.02324	9.1
106.06519	5.2
107.40612	1.1
108.04409	1.7
113.02344	7.1
119.03378	3.8
120.04415	1.1
122.06012	8.0
132.04414	3.2
134.06013	28.9
136.07527	1.2
145.06448	1.2
146.05885	1.4
148.03871	1.4
152.07062	4.9
160.06392	1.4
161.04510	1.5
174.05551	2.3
188.07062	2.0
190.05022	2.2
191.05487	2.3
209.11723	4.3
213.10324	6.2
223.08760	1.5
225.10260	3.8
235.08708	1.6
237.10228	1.4
239.11900	6.7
241.13432	4.5
249.10287	3.0
250.07326	2.2
251.08189	3.6
251.11867	4.5
251.67168	1.1
252.08945	1.8
253.09721	4.2
263.08276	4.1
263.11868	1.4
264.08984	2.4
265.09747	7.2
267.11298	4.3
276.08694	1.3
277.09869	5.9
278.07236	1.4
278.10529	6.0
279.07962	6.3
279.11218	7.6
285.12457	10.2
290.10583	1.5
291.08072	1.4
291.11249	2.7
292.08514	2.4
293.09293	9.2
293.12790	1.9
294.10043	4.2
295.10864	7.4
305.09204	1.8
306.10144	1.2
307.10861	4.5
309.12402	2.0
314.12820	1.9
321.08673	2.9
337.08029	1.8
337.11923	1.6
339.09732	4.1
351.09772	3.3
356.13766	1.6
357.14853	2.3
358.11212	1.1
358.15631	3.1
366.41391	1.1
370.11554	1.2
370.15656	1.6
372.17160	1.3
385.13678	1.2
397.13797	2.0
398.14731	2.2
400.16699	6.8
412.16525	3.1
414.18073	1.6
424.16272	1.3
425.17249	2.3
458.17133	1.6
468.15771	1.5
486.16772	2.4
487.17276	1.2
488.95404	1.2
603.08929	1.1
620.22443	3.6
622.24103	1.4
635.08093	1.1
638.23395	4.9
645.35376	1.6
648.22058	3.0
649.22693	3.6
666.23041	25.1
667.23608	2.6
680.24341	3.7
681.24548	1.6
698.25879	1.6
712.27130	11.4
713.28125	2.0
727.29749	9.7
759.32843	1.7
771.28833	54.7
772.29028	9.6
789.78754	1.1
803.31403	100.0
804.31775	17.6
835.33807	17.9
836.34039	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	837.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
71.01251	23.9
72.99131	2.7
73.02817	10.7
75.80262	2.4
85.02826	10.8
87.93831	2.5
89.02298	12.0
90.86112	2.6
93.03354	4.8
94.46719	2.5
95.01273	3.5
101.02325	20.1
113.02316	12.7
119.03426	4.2
121.02785	2.3
131.03337	3.3
143.03322	3.2
149.02333	4.1
152.01001	2.9
161.04475	7.2
164.04707	4.3
173.04411	4.5
187.13290	12.0
191.05524	12.1
193.01262	2.8
196.94655	2.3
208.03636	6.5
223.06047	11.3
244.10715	2.3
294.99463	3.0
331.17645	42.3
349.18616	24.2
385.11252	3.5
391.19632	83.0
392.19974	4.7
401.14468	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	837.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00447	0.5
59.01251	23.2
61.98688	0.9
69.03318	0.7
70.74861	0.3
71.01254	10.4
72.99182	0.8
73.02818	4.3
77.20792	0.2
81.03365	0.2
83.01261	1.5
85.02816	3.4
87.00733	2.0
89.02312	2.4
93.03354	0.4
95.01254	0.6
96.95889	0.9
97.02822	0.5
99.00750	0.8
101.01689	0.4
101.02319	6.3
109.68812	0.3
113.02333	2.7
119.03376	0.6
119.04822	0.3
121.02817	0.6
124.01526	0.6
125.02345	1.5
129.01845	0.5
135.04449	0.4
137.02315	0.4
137.25446	0.3
141.01691	0.4
141.12737	0.3
143.03374	0.6
149.05956	0.7
165.12762	0.5
173.04588	0.3
183.13847	1.6
185.11792	0.4
191.03447	0.4
191.05499	0.5
209.08144	1.5
209.11678	0.4
211.13382	0.5
213.14790	0.3
227.12837	1.6
289.50031	0.3
307.26294	0.5
323.25916	5.0
324.26233	0.6
325.27460	22.7
326.27780	2.5
337.27319	0.3
339.25369	0.4
341.26944	11.0
342.27390	0.7
353.26862	0.4
355.28574	0.7
397.13693	0.4
407.07346	0.3
407.33075	0.3
485.31165	4.7
486.31573	0.8
503.32272	13.8
504.32541	1.9
527.32257	3.6
528.32416	0.4
545.33282	100.0
546.33612	13.5
587.34326	1.6
785.69501	0.3
837.42181	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00464	1.9
59.01249	100.0
60.01571	1.1
69.03326	2.0
69.63076	6.1
71.01251	54.5
72.01592	1.2
72.99187	3.7
73.02815	18.2
81.03349	1.9
83.01244	7.4
85.02821	23.0
87.00774	6.0
89.02312	19.5
93.03348	5.2
95.01248	5.7
96.95869	4.8
97.02802	2.3
99.00767	3.9
101.02323	22.7
111.00739	1.5
111.04388	1.1
113.02324	43.7
114.02668	1.0
119.03407	6.3
119.04942	1.7
125.02335	7.3
131.03395	2.3
134.06017	1.2
135.04433	2.4
137.02362	1.8
143.03394	5.2
149.04462	2.4
150.03091	1.1
155.03366	1.7
161.04440	7.0
163.03917	2.1
173.04427	5.4
177.01820	1.1
179.03351	1.0
179.05510	4.3
179.74951	0.9
191.04013	1.0
191.05551	7.6
239.11763	1.3
283.10861	3.1
358.80139	1.0
399.23679	1.5
417.24829	2.6
445.90063	1.2
467.29852	3.3
485.31323	8.0
503.32205	1.5
593.33185	1.6
611.34198	1.4
629.35406	17.7
630.35852	3.0
647.36475	47.9
648.36829	7.2
661.36688	1.1
665.37518	13.8
666.38019	2.1
689.37622	14.2
690.37976	3.3
707.38562	18.4
708.38855	2.9
749.39978	2.1
787.29309	1.3
793.33167	3.5
805.29407	2.1
837.32001	1.8
838.33051	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	48.3
61.98697	1.9
71.01250	50.8
72.99184	5.0
73.02808	10.5
78.44368	1.7
81.03301	1.8
83.01254	6.4
85.02825	12.1
87.00751	18.3
89.02311	42.7
95.01270	5.7
96.95875	2.7
97.02807	5.4
98.20641	3.9
99.00732	4.0
101.02312	42.7
111.00698	1.7
113.02318	27.7
119.03407	9.1
125.02316	15.5
131.03377	5.6
143.03409	6.9
161.04465	14.1
179.05501	12.8
203.05598	1.9
206.89632	1.6
209.08174	2.8
221.06592	7.6
230.55225	2.1
235.08113	5.6
253.09285	7.5
263.07648	1.8
277.21674	27.7
278.22153	3.2
287.07617	2.3
323.09683	5.0
379.12344	2.6
397.13474	48.6
415.14459	19.1
525.81464	2.0
559.18732	100.0
560.18958	7.8
577.19812	34.8
578.20587	3.2
837.40613	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	839.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.0
71.58093	0.6
78.95769	4.5
79.95605	3.5
91.13316	0.3
94.92390	0.3
95.97514	0.4
96.95886	100.0
96.96772	4.9
126.71194	0.2
133.46710	0.3
149.05989	1.2
158.99646	0.6
175.02432	0.3
178.34264	0.2
205.01768	0.9
209.08012	1.6
213.05305	0.3
231.06424	0.3
247.02869	0.7
265.03928	1.6
307.04999	1.7
397.09570	0.3
447.53506	0.3
457.11896	1.0
587.16022	1.0
626.95105	0.3
763.79065	0.4
779.23645	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73220	2.8
59.01249	79.3
60.14398	3.2
61.98706	3.7
69.03329	3.9
71.01246	48.5
71.57688	4.2
72.99200	4.9
73.02814	14.7
81.41802	3.2
83.01259	7.7
85.02821	25.5
85.03260	3.6
87.00761	4.9
89.02308	18.1
93.03335	4.5
95.01287	5.1
96.95889	20.4
99.00739	5.8
101.02318	37.7
113.02322	20.4
119.03350	6.7
122.96001	3.0
125.02355	7.9
147.04448	7.0
149.04439	3.5
149.05956	12.6
151.35405	3.0
159.02977	4.9
161.04445	4.7
161.05876	3.3
165.05441	3.3
191.05507	4.0
209.08122	38.1
271.90158	3.7
387.74854	3.1
429.30243	4.5
431.31665	44.3
432.31921	5.3
503.19278	4.5
546.36365	3.3
575.35901	9.8
593.36987	11.7
624.94238	3.5
637.43091	7.3
653.25665	6.3
679.44110	5.6
693.76141	4.3
771.05573	4.1
797.43365	100.0
798.43402	21.3
799.48615	6.0
808.83661	3.5
841.49774	40.6
842.50140	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	843.365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01587	0.9
62.07196	0.3
71.01252	17.0
72.99190	0.9
73.02817	12.0
74.51540	0.3
75.00784	0.4
75.18610	0.3
81.03355	0.4
83.01266	4.2
85.02820	4.0
87.00749	0.8
89.02320	4.6
95.01267	0.6
96.95889	1.7
97.02837	0.6
99.00768	0.6
101.02319	14.2
104.61603	0.4
111.40189	0.3
113.02325	5.8
114.02685	0.4
119.03383	2.1
121.10112	0.3
125.02340	0.8
131.03360	1.8
139.24142	0.3
143.03416	1.4
149.04518	2.0
151.27103	0.3
155.03371	0.5
161.04462	5.5
162.09894	0.3
163.11192	1.4
172.44258	0.3
175.83092	0.3
179.05589	0.7
179.81334	0.3
191.05620	0.6
193.12271	1.0
203.05585	0.6
221.06674	0.6
260.58792	0.3
270.94043	0.4
302.75671	0.3
315.18112	3.7
337.44711	0.3
355.17633	0.8
357.19241	1.2
397.18698	1.1
762.98291	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89165	2.8
59.01246	24.3
71.01250	22.8
81.15002	2.9
85.02813	6.6
87.00741	10.2
89.02308	16.6
95.01330	3.3
101.02329	15.5
112.30907	3.2
113.02328	9.9
125.02375	3.5
171.10159	10.1
173.04485	3.3
179.05540	5.6
221.06688	4.6
293.21201	5.3
325.25464	4.7
343.26279	6.3
358.78891	2.9
359.25797	7.1
369.24103	6.4
387.25375	12.0
397.13260	8.4
405.26349	25.6
406.35553	3.6
552.96136	4.0
785.39581	100.0
786.39948	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	845.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	14.3
59.77629	0.6
61.98700	4.5
69.03309	1.4
69.28338	3.5
69.28762	2.5
71.01252	13.6
72.99188	1.3
73.02812	1.7
80.02551	0.8
83.01247	1.0
85.02829	2.9
87.00745	3.0
89.02313	10.2
95.04921	1.4
97.02855	1.1
97.06461	15.4
101.02319	9.7
113.02338	4.5
119.03390	2.4
123.08031	7.0
124.08348	0.6
125.02327	2.4
125.09609	100.0
126.09954	2.6
131.03441	1.1
143.03392	0.8
143.10684	3.0
161.04449	1.4
169.08630	2.2
178.95157	0.6
179.05502	1.3
187.09680	70.6
188.10043	1.9
201.11160	1.2
210.61380	0.6
211.09624	1.0
221.06602	4.0
253.09206	1.4
277.21713	12.4
278.22098	0.9
342.46207	0.6
397.13678	1.3
446.60956	0.6
530.18640	0.7
542.19708	0.6
567.23468	2.9
585.23846	5.6
665.38812	0.7
744.61139	0.6
845.45313	99.8
846.45715	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	14.8
69.03316	1.2
69.53016	3.9
71.01253	14.2
71.01619	0.5
72.99173	1.3
73.02808	2.4
80.02541	0.6
81.03339	0.6
83.01271	1.7
83.04894	1.6
85.02834	3.5
85.36099	0.5
87.00744	3.7
89.02313	9.8
93.03305	0.6
95.01246	1.1
95.04893	1.6
97.02811	1.5
97.06467	14.1
98.06793	0.6
99.00762	0.9
101.02324	10.6
111.00697	0.7
113.02317	4.7
119.03376	2.3
123.08051	8.8
125.02349	3.2
125.09611	71.4
126.09972	2.6
131.03427	0.9
143.03392	1.0
143.10623	0.7
161.04449	2.5
162.04680	0.6
169.08589	1.7
179.05559	0.8
187.09683	35.6
188.10100	1.4
202.79770	0.6
221.06667	1.4
235.08165	1.9
253.09317	0.9
277.21729	29.2
278.22043	2.5
397.13477	4.4
415.14322	1.6
567.22748	2.4
585.24048	2.0
845.45355	100.0
846.45740	21.3
846.62244	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.3
67.01752	1.2
69.24101	4.6
69.24514	0.9
71.01250	3.1
73.02824	2.2
81.03316	0.7
83.01244	0.8
85.02824	1.7
87.00758	0.8
89.02324	1.0
93.03336	1.0
93.96686	0.5
95.01245	1.1
96.95879	4.3
101.02321	2.2
101.51068	0.5
107.04934	0.6
108.02035	0.8
109.02840	4.3
113.02331	1.4
121.02768	0.7
123.00762	2.2
123.04425	1.4
125.02330	1.2
133.02831	0.5
134.03534	0.6
135.04477	2.6
136.01564	1.5
137.02341	27.9
138.02876	0.8
139.00278	0.7
139.03906	1.4
148.01599	0.6
149.02333	2.4
150.03113	1.9
151.00278	14.7
151.03902	5.4
152.01045	2.6
152.04686	3.3
153.01816	1.8
153.05435	1.1
155.03499	0.6
159.04411	0.5
161.02435	1.0
161.04567	0.6
162.03101	0.7
163.03889	1.8
164.01038	2.5
165.01845	100.0
165.05502	3.9
166.02629	42.5
167.03392	3.7
175.03868	2.4
176.01036	0.7
176.04602	0.6
177.01843	3.1
177.05449	1.5
178.02623	1.8
179.03407	23.3
180.04202	62.9
181.04979	49.2
182.05379	1.3
184.03734	1.5
187.03932	2.4
190.02675	0.9
190.06239	1.3
191.03450	1.8
191.05501	1.3
192.04213	1.2
193.05011	2.6
194.05798	4.4
195.02925	3.2
195.06561	77.1
196.06824	2.7
202.06284	0.8
204.04231	0.7
205.04996	6.2
205.08635	0.8
205.16313	0.6
206.05696	0.9
207.06590	2.1
209.04335	0.6
209.08154	0.9
210.05276	11.7
211.05948	0.9
219.06578	1.5
220.07339	4.3
221.08081	0.8
225.07635	72.1
226.08009	3.3
235.09650	0.7
242.15195	0.6
262.54214	0.6
297.04077	0.6
344.09042	0.9
345.09918	0.7
355.08139	0.6
359.11328	2.3
370.14264	0.7
371.11398	1.5
372.12216	1.8
373.12778	1.0
385.12967	0.8
386.13538	1.7
387.10712	6.6
387.14542	6.7
402.13000	4.1
403.13812	3.0
416.14691	3.4
417.15515	66.2
418.15845	6.6
505.14444	0.6
555.27954	3.0
556.28625	0.8
565.17688	2.6
566.17133	0.8
580.19580	1.5
595.21832	64.2
596.22089	10.3
613.22955	1.3
625.22809	2.1
643.23938	23.1
644.24115	4.0
774.45172	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	11.4
69.03309	0.6
71.01254	13.7
72.91551	0.4
72.99186	0.9
73.02831	1.8
81.03348	0.8
83.01267	2.5
85.02821	2.8
87.00761	2.6
89.02312	9.5
89.30238	0.5
95.01271	1.4
97.02835	1.7
98.20511	1.1
99.00754	1.0
99.73103	0.4
100.87807	0.4
101.02322	10.0
113.02333	7.0
119.03389	3.0
125.02333	5.1
131.03381	0.4
139.03903	0.5
143.03398	1.9
145.05008	0.6
152.99467	0.5
161.04463	4.0
179.05508	2.7
183.13835	12.1
183.81410	0.4
184.14185	0.6
195.13829	11.6
196.14236	0.6
199.06009	0.6
211.13359	0.9
213.14897	100.0
214.15228	3.8
217.07130	0.5
220.45164	0.4
221.06715	0.6
235.08191	4.5
253.09273	2.6
253.21698	56.7
254.21936	3.4
255.23354	0.7
263.07764	0.7
287.07666	1.2
305.08817	1.0
323.09872	1.0
379.12372	5.1
397.13489	38.8
398.13788	2.3
415.14523	11.6
416.14786	0.7
449.36151	1.0
593.27838	0.8
611.28735	0.9
633.34827	1.1
651.35944	3.0
842.44122	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	27.4
61.64427	3.3
61.86394	2.9
69.53030	25.1
71.01246	33.9
73.02807	8.8
81.21492	3.8
85.02817	11.5
87.00737	7.6
89.02303	14.9
93.03358	6.5
96.95872	6.5
98.19767	4.8
101.02335	22.6
106.06503	4.8
113.02330	12.2
115.59670	4.3
119.03345	5.0
122.06018	9.5
125.02300	4.2
131.03404	6.0
132.04443	5.5
134.06000	28.3
135.04419	6.7
136.07660	3.7
152.07098	9.5
155.87788	3.5
160.03922	7.5
161.04457	5.8
173.04485	4.7
178.59576	4.2
190.05086	8.6
191.03874	3.4
191.05469	23.5
194.53648	3.8
224.09441	5.2
239.11859	20.2
250.88231	3.5
253.06116	7.5
267.07748	6.2
268.08536	5.7
279.07523	4.2
283.10861	45.7
284.11185	4.8
295.10751	9.7
301.90436	3.7
314.12842	4.6
430.17438	7.1
623.37366	3.9
654.22980	4.4
698.67975	4.1
739.18951	4.0
772.28912	5.5
816.28241	100.0
817.28528	16.6
848.30798	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	13.6
65.42115	7.2
70.02853	15.0
71.00705	7.2
71.58034	11.0
72.00780	17.7
79.99281	7.0
82.02852	17.7
85.02794	8.1
87.32208	7.3
96.04425	44.2
96.95899	8.6
97.02788	9.0
97.03953	6.9
98.02364	9.7
100.03915	8.2
106.06535	9.4
124.03899	12.1
126.72784	7.3
128.03407	7.2
129.01828	14.0
143.04561	9.8
144.02924	40.5
149.06985	8.0
162.05518	7.6
167.08188	10.0
196.76930	9.5
213.81256	7.4
216.51678	9.5
241.08220	27.0
259.09341	100.0
292.73553	8.7
445.23813	10.5
447.25616	26.2
449.27258	14.2
460.22485	13.5
471.21930	31.2
472.22406	16.1
473.22903	11.4
474.23495	9.6
487.24423	26.6
489.26416	17.7
493.26260	37.8
499.27234	10.0
500.22406	25.5
502.26135	15.8
513.22778	89.0
514.23071	30.4
514.29688	21.8
515.24408	74.6
516.25787	13.5
529.24738	30.8
530.24023	23.6
545.25391	83.9
546.25464	47.2
547.26166	8.9
558.28912	23.1
562.28253	16.5
570.28821	14.0
586.27222	13.8
602.27582	87.6
603.27881	21.0
606.27692	9.8
614.27997	17.1
615.27618	11.1
634.30176	17.6
675.28949	24.3
676.28864	10.8
755.31531	16.4
773.33112	41.7
849.34406	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00950	0.7
59.01249	14.5
59.51561	0.4
69.03320	0.7
69.87587	1.0
69.87997	1.4
71.01252	16.2
72.99181	1.6
73.02828	2.1
76.37518	0.5
79.54359	0.4
81.03315	0.6
83.01263	1.7
85.02808	3.5
87.00753	3.0
89.02315	11.2
89.02825	0.8
95.01277	1.1
97.02859	2.3
97.56172	0.4
99.00748	0.9
101.02319	12.1
102.79111	0.4
105.95374	0.4
111.04363	0.4
113.02330	6.8
119.03372	2.9
125.02326	5.7
131.03331	0.5
139.03992	0.5
141.01659	0.6
142.40070	0.5
143.03416	1.4
161.04468	2.8
177.12712	0.5
179.05470	2.3
183.13815	12.1
195.13834	11.1
213.14896	100.0
214.15269	4.2
217.07080	0.7
221.06612	1.0
235.08194	4.8
253.09293	1.6
255.23256	54.0
256.23517	3.4
269.24866	0.5
287.07660	1.3
305.08868	1.6
323.09836	1.2
379.12473	5.4
397.13483	39.0
398.08865	0.4
398.13852	2.8
415.14587	9.9
416.14896	0.8
429.61462	0.4
611.28699	0.7
653.37396	2.2
819.02588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	16.7
61.48698	0.3
69.66069	0.6
69.66474	1.7
70.71747	0.3
71.01237	2.0
73.02808	1.2
83.01244	0.3
85.02823	0.5
89.02303	0.5
91.01788	0.4
93.03326	0.4
95.04926	0.3
97.06452	0.5
98.19845	0.7
101.02326	1.4
108.02034	1.0
109.02837	3.8
113.02336	0.9
113.98276	0.3
119.03331	0.3
121.02833	8.4
122.03629	4.4
123.00774	0.6
123.04391	1.2
124.01544	0.6
127.07464	0.4
135.04402	0.9
136.05186	2.8
137.02312	2.0
138.03073	0.3
146.03644	0.7
147.04410	5.0
148.05139	0.5
149.06055	0.6
150.03131	0.8
151.03883	0.9
154.02603	0.8
159.04378	0.5
160.05232	2.1
161.04567	0.8
161.05984	8.9
162.06754	4.8
163.04086	0.4
164.04668	0.6
165.05489	6.9
167.10678	0.7
168.04214	0.7
172.05325	0.4
173.04610	0.4
173.06003	1.3
174.06703	0.6
175.03925	0.9
175.07541	2.4
176.04732	1.1
176.08360	1.7
177.05478	0.5
178.06259	0.5
179.06978	2.1
179.97517	0.4
187.22578	0.3
189.09103	0.6
190.06345	0.5
191.06984	0.6
193.04948	0.4
222.09915	0.4
238.50146	0.3
283.09824	0.9
294.64539	0.3
297.11154	1.6
298.12073	5.2
300.02698	0.4
311.12775	3.7
312.09753	0.4
312.13013	0.4
313.14450	12.1
314.14862	0.8
315.12201	0.5
316.13062	0.8
327.12344	2.1
328.13181	0.8
329.16043	0.7
343.15512	4.0
346.14154	2.8
347.17081	0.4
361.16541	100.0
362.16919	7.8
373.18643	1.5
389.18198	1.1
419.87653	0.3
538.86139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
61.40699	0.2
69.03330	0.7
70.64791	0.5
70.65154	0.6
71.01253	10.5
72.99170	0.8
73.02815	5.5
81.03342	0.2
83.01270	1.3
85.02348	0.3
85.02829	3.5
87.00738	1.6
87.04359	0.7
89.02325	2.5
93.03315	0.5
95.01262	0.6
95.60245	0.2
96.95874	1.1
97.02801	0.6
99.00764	0.5
99.04420	0.3
101.02316	6.4
111.00738	0.3
113.02328	2.8
119.03346	0.6
124.01515	0.5
125.02365	1.2
125.09646	0.4
129.01862	0.3
131.03375	0.4
134.03622	0.4
135.04416	0.6
137.02354	0.5
139.11157	0.6
141.12737	0.6
147.04466	0.5
149.05981	1.2
151.00253	0.4
152.17952	0.3
155.10576	0.4
157.12239	1.1
161.02373	0.6
161.04424	0.4
165.01823	0.9
165.05508	0.3
166.02623	1.0
169.12262	0.8
171.10123	0.4
173.04507	0.5
175.03740	0.2
177.01842	0.4
179.03444	0.5
180.04143	0.4
181.04956	2.1
185.11716	1.1
191.03435	0.8
191.05534	1.0
191.07103	0.3
193.04913	0.3
195.06499	0.5
201.11176	0.3
207.06606	0.4
209.08133	2.8
209.11729	0.5
215.12793	1.8
225.07600	0.3
244.54469	0.3
255.61357	0.3
305.24741	0.4
321.24338	0.7
323.08093	0.3
323.25906	2.1
327.08633	0.3
339.25375	7.9
340.25702	0.8
341.26938	27.2
342.27295	1.6
357.22162	0.5
357.26471	6.5
358.26703	0.4
358.65289	0.3
462.14151	0.3
483.29504	0.6
501.30786	4.1
502.31192	0.4
515.32550	0.6
519.31738	8.8
520.32257	0.5
543.31714	5.5
544.32013	0.6
559.31165	0.9
560.31586	1.0
561.32739	100.0
562.33124	8.4
603.33563	1.7
645.34784	0.5
649.37744	0.5
661.17505	0.3
793.42255	1.0
811.43127	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01755	0.3
68.99688	0.4
69.03322	0.7
71.01250	14.9
72.99205	1.2
73.02815	2.2
75.00765	0.4
75.03161	0.3
81.03333	0.6
83.01254	2.1
83.49622	0.3
85.02822	3.9
87.00755	3.8
89.02313	11.8
91.03893	0.6
95.01284	1.3
96.95893	1.4
97.02831	2.4
98.95451	0.4
99.00177	0.5
99.00775	1.0
101.02319	12.5
102.02622	0.3
111.04396	0.7
113.02335	7.2
116.92727	2.0
119.03369	2.6
121.02882	0.7
125.02322	4.9
131.03362	0.8
139.03865	0.5
143.03419	1.7
149.04399	0.8
161.04456	3.9
169.12262	2.3
175.45261	0.4
179.05536	3.0
181.12244	9.0
183.13829	1.1
192.29970	0.3
195.13829	1.0
197.11813	0.8
199.13322	100.0
199.71530	0.4
200.13632	3.4
213.14883	7.3
214.15175	0.4
221.06561	1.6
224.46883	0.4
235.08182	5.7
241.14313	0.4
253.09213	1.8
263.07739	0.5
263.20197	3.0
277.21710	46.2
278.22055	3.2
287.07635	1.5
305.08752	1.9
323.09836	1.2
379.12421	5.4
397.13458	37.7
398.13913	2.4
415.14548	11.3
416.14917	1.1
459.34671	2.4
579.26678	0.5
597.27515	1.4
675.35980	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.49
Annotation	Unknow
Peak:m/z	Relative Intensity
66.83821	0.3
69.03340	0.8
69.85483	1.1
71.01250	16.7
71.04905	0.3
72.99175	1.3
73.02817	2.8
75.00748	0.5
78.10030	0.3
79.51572	0.3
81.03328	0.4
83.01247	2.2
85.02814	3.7
87.00745	3.7
89.02314	12.3
95.01265	1.1
97.02824	2.5
99.00762	0.9
101.02320	12.0
109.02809	0.5
113.01587	0.3
113.02325	6.7
116.92755	2.8
119.03400	2.9
125.02325	5.2
127.11179	0.7
131.03354	0.8
133.04996	0.4
137.02444	0.4
139.03934	0.6
143.03400	2.6
149.04446	1.0
153.12761	0.5
161.04456	4.4
163.11159	0.6
167.03514	0.4
169.12231	1.5
176.58472	0.3
179.05528	3.0
181.12267	6.8
185.21086	0.3
197.11728	0.7
199.13322	100.0
200.13675	5.3
217.07053	0.5
221.06548	1.7
235.06071	0.4
235.08224	4.8
241.14499	0.4
253.09277	2.3
259.08188	0.3
277.21704	51.5
278.22073	3.6
287.07700	1.8
291.23114	0.4
305.08789	1.4
319.22720	0.3
323.09738	1.2
361.11081	0.4
379.12479	5.2
380.12961	0.3
397.13477	36.6
398.13843	2.2
415.14569	9.7
416.14731	0.4
457.71255	0.4
459.34985	1.7
579.26569	1.1
581.22351	0.4
597.27783	1.5
675.35754	0.8
730.82007	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03294	1.1
71.01250	16.1
72.99163	1.2
73.02826	2.3
77.84772	0.5
81.03362	0.7
83.01259	1.8
85.02815	3.1
87.00736	3.8
89.02309	12.0
95.01275	1.2
96.95846	0.7
97.02829	2.6
99.00753	0.9
99.79272	0.5
99.92468	0.6
101.02317	11.0
101.03004	0.7
108.94235	0.4
113.02320	6.3
116.92730	4.8
119.03389	3.0
125.02338	4.7
125.09598	0.7
127.03900	0.5
127.11166	2.0
131.03371	0.8
143.03354	2.5
145.04936	0.5
153.12856	0.6
157.30098	0.5
158.35078	0.5
161.04466	3.9
179.05533	2.8
181.12323	0.7
184.00311	0.5
190.35133	0.5
197.11725	1.0
199.13329	100.0
200.13658	4.8
204.14458	0.4
221.06575	1.1
233.22701	0.6
235.08160	5.0
248.63850	0.5
253.09254	2.3
277.21710	53.2
278.22113	4.0
287.07706	1.6
305.08734	1.6
323.09946	0.5
379.12469	7.5
397.13498	35.6
398.13803	2.1
415.14578	7.8
459.34912	1.0
579.26379	1.3
597.27710	1.4
675.35938	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	859.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01248	14.1
71.20556	15.0
76.92827	6.6
85.02829	9.4
89.02306	8.8
101.02306	16.1
104.81562	8.0
107.04575	7.0
116.92725	10.7
125.02231	8.5
127.54932	6.0
176.65669	6.9
179.05463	7.6
199.13364	70.2
208.80907	7.6
211.13397	7.4
235.08240	39.2
253.09196	38.7
277.21677	100.0
278.22195	12.4
279.23264	33.9
303.91019	8.0
304.60281	7.6
309.20792	10.6
320.54272	7.7
327.21677	85.0
346.13406	8.6
397.13440	21.0
415.14346	10.4
545.29187	12.3
563.30536	9.4
823.51135	9.2
859.49011	30.4
860.50031	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	860.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03338	1.9
69.51978	1.3
71.01248	23.2
71.58338	2.4
73.02802	6.1
80.04895	2.0
83.01254	1.8
85.02847	7.6
87.00770	7.4
89.02311	9.7
93.03322	2.4
95.01285	2.0
96.95881	9.4
97.02850	2.5
99.00764	1.7
101.02323	14.5
106.06498	3.8
108.04418	2.4
113.02313	10.5
119.03378	3.0
122.05980	3.3
125.02311	2.9
131.03392	4.1
132.04440	2.0
134.06017	18.9
135.04396	2.3
136.07567	1.7
146.06041	2.1
152.07059	4.1
161.02330	1.6
161.04448	4.3
173.04454	3.0
175.03958	1.4
179.03380	2.0
179.05560	1.5
180.06601	3.6
188.07100	6.2
191.05539	9.4
195.06584	1.7
211.08684	1.9
213.13547	1.5
221.06578	3.8
224.09297	1.9
225.10339	4.1
235.08751	2.3
236.09253	1.8
237.10269	3.0
249.10188	1.6
251.08191	5.4
251.11958	2.5
252.08961	5.5
253.09695	7.7
264.09018	3.6
265.09775	5.3
267.11551	6.9
271.02487	3.0
277.09784	3.5
279.07663	6.6
279.11313	7.9
292.08420	3.5
293.09326	12.1
294.10132	2.4
295.10803	12.9
299.01874	3.2
300.02487	3.0
301.03455	2.6
305.09442	4.1
307.10938	13.3
321.08771	6.6
333.08832	1.8
339.09888	6.6
351.09677	3.3
440.16101	4.1
458.17236	2.2
468.15854	2.8
583.63947	1.8
800.29077	2.7
809.36188	1.9
828.28302	100.0
829.28479	14.4
860.30750	22.4
861.30505	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	864.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34370	2.9
69.31624	2.2
71.01250	38.5
73.02824	12.2
83.01262	3.5
83.88915	2.6
85.02834	12.4
87.00745	12.9
89.02305	26.1
96.95866	2.5
98.11326	2.8
99.00752	3.2
101.02309	31.3
106.06469	6.6
113.02328	15.7
116.04942	10.3
119.03386	11.1
122.06030	7.1
123.03148	6.1
124.03950	3.6
125.02338	3.6
131.03384	8.9
132.04430	5.6
134.06009	78.1
138.05492	12.1
143.03369	4.2
150.05424	2.5
152.07085	11.6
158.02350	4.0
159.22903	2.6
160.03923	36.1
161.04462	11.0
164.06992	6.3
169.71324	2.7
172.03961	3.2
173.04556	2.7
179.05492	5.4
190.05055	13.6
191.05528	11.2
192.06586	100.0
193.06908	6.1
204.06572	9.4
221.06526	9.7
255.11386	3.9
281.09348	4.4
307.10754	5.9
311.13837	3.4
314.12378	4.1
339.13464	30.9
649.22375	33.7
650.23022	5.5
681.13971	5.7
681.25128	90.9
682.25000	12.5
770.28333	4.7
788.29004	22.5
814.26349	4.3
832.27948	23.1
833.27899	5.3
846.29633	10.7
864.30121	44.0
865.30957	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	865.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	6.3
64.44585	5.5
65.09481	4.7
71.01250	19.6
71.58752	6.3
78.95796	17.2
87.00751	4.9
87.94566	5.2
89.02312	14.2
101.02350	16.7
113.02316	10.5
119.03420	5.7
125.02351	6.4
152.99484	14.4
160.04568	5.2
161.04419	9.7
171.10178	100.0
172.10452	6.5
209.11766	17.4
210.12128	10.7
235.08130	7.3
255.23235	10.9
277.21713	79.5
335.89441	6.2
379.12427	20.6
397.13416	57.0
398.13882	8.8
415.14392	10.4
551.23340	12.4
563.68579	7.4
655.69763	6.8
657.35626	8.7
780.92169	5.7
865.43414	42.8
866.44000	9.8
867.70825	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	865.5318
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24364	5.7
69.24792	10.3
71.01247	3.9
72.14685	1.2
73.02861	1.3
80.96362	4.1
83.17422	1.5
85.02788	1.3
89.02320	3.3
93.77795	1.2
97.02821	8.7
100.91007	1.5
101.02311	3.9
111.08033	1.7
113.02328	1.9
137.09590	2.3
171.10185	7.5
183.13773	4.3
195.13850	2.5
233.15439	1.7
235.08168	5.9
251.16461	2.2
253.09328	16.0
273.18604	1.9
276.90475	1.2
277.21722	100.0
278.21979	6.4
291.19681	19.3
309.20712	69.0
310.20944	4.3
532.71484	1.7
695.38403	1.6
865.50317	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	869.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03348	0.5
69.25347	0.3
69.29814	3.6
71.01250	10.1
72.99183	1.0
73.02825	4.5
75.00769	0.4
79.95569	0.3
81.03345	0.7
83.01254	2.3
85.02818	3.1
87.00729	2.3
87.04388	0.4
89.02309	2.9
93.03362	0.7
95.01266	0.8
96.95866	1.2
97.02831	0.6
97.06461	0.5
99.00747	1.0
101.02312	5.1
109.02770	0.4
111.04453	0.4
113.02340	2.9
119.03385	0.8
119.04845	0.4
121.02811	0.5
125.02335	1.7
125.09595	0.4
133.02834	0.4
134.03627	0.3
135.04417	0.7
137.02316	0.8
139.11159	0.7
139.23183	0.4
141.12721	0.4
143.03397	0.5
149.04503	0.3
152.49260	0.3
152.97916	0.4
155.10739	0.5
157.12279	0.7
161.02365	0.4
161.04446	1.1
161.80353	0.3
165.01886	2.3
165.05449	0.5
166.02615	0.7
167.03416	0.5
169.12233	0.8
171.10144	0.4
173.04411	0.6
179.03403	0.6
180.04160	1.3
181.05006	0.9
185.11681	1.7
191.03363	0.7
191.05508	1.1
192.04170	0.3
195.06549	1.7
196.13960	0.3
201.11249	0.8
215.12817	4.7
220.74646	0.4
225.07591	1.4
229.14331	0.7
243.15906	0.5
247.70029	0.3
255.11317	0.9
269.21140	0.4
272.63406	0.3
274.92194	0.3
313.23853	0.6
325.23846	0.8
337.23657	0.7
341.23523	0.5
343.24832	1.9
355.24881	8.7
372.24701	0.3
373.25912	10.8
374.26178	0.9
403.14001	0.9
417.15631	0.9
490.82129	0.4
499.29230	1.4
517.30157	8.0
518.30365	1.1
535.31226	13.5
536.31274	1.2
559.31171	6.6
575.30627	1.3
576.30927	2.3
577.32220	100.0
578.32556	10.2
619.33319	1.0
661.33319	0.4
667.42358	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	0.2
63.56997	0.2
69.03326	1.3
71.01250	15.7
72.99172	1.2
73.02822	2.1
77.88596	0.2
81.03338	0.8
83.01251	2.2
83.04863	0.3
85.02816	4.0
87.00751	3.3
87.04407	0.2
89.02313	13.8
91.03859	0.4
95.01258	1.1
97.02827	2.0
99.00764	0.6
101.02317	13.1
109.02845	0.2
111.00774	0.3
111.04419	0.3
112.01518	0.2
113.02324	7.3
115.03848	0.2
119.03375	2.9
121.02832	0.3
124.01510	0.3
125.02326	5.6
131.03362	0.7
133.04948	0.4
139.03876	0.5
141.01735	0.4
143.03401	2.0
145.04909	0.4
149.04427	0.4
155.10669	0.2
161.04463	4.3
165.12743	0.4
167.03395	0.2
167.10699	0.4
167.14331	0.5
179.05534	3.4
181.12241	0.3
183.13815	7.5
193.12291	1.9
199.06064	0.4
211.13324	100.0
212.13670	4.0
213.14966	0.2
217.07083	0.6
221.06595	1.1
225.14977	0.3
229.90952	0.2
235.08170	4.5
235.13335	0.2
236.08630	0.2
253.09232	1.9
253.14494	0.3
263.07758	0.3
277.21701	46.6
278.22037	2.8
287.07877	1.2
291.23129	0.5
305.08743	1.2
309.21420	0.2
323.09790	1.3
327.21851	0.4
361.11469	0.2
379.12405	5.8
391.45578	0.2
397.13455	32.4
398.13739	2.1
415.14554	6.4
415.18958	0.1
416.14758	0.3
575.89648	0.2
591.26514	2.7
592.27081	0.3
609.27539	3.6
610.28033	0.5
657.34576	0.4
675.35687	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
63.22241	0.3
69.03321	1.4
70.45040	0.9
71.01248	15.9
72.45818	0.2
72.99171	1.2
73.02812	2.6
75.00730	0.3
81.03304	0.7
83.01254	2.3
83.04851	0.5
85.02814	4.0
85.99952	0.4
87.00743	4.2
89.02310	12.9
94.59217	0.2
95.01245	1.3
97.02812	1.8
97.55214	0.2
99.00755	0.8
101.02319	12.1
103.58935	0.2
111.00751	0.3
111.04375	0.4
112.52959	0.2
113.02316	7.0
113.47491	0.3
116.82000	0.3
119.03384	3.3
125.02330	5.6
131.03383	0.9
133.04906	0.5
137.02255	0.3
141.01750	0.5
143.03384	1.9
145.04951	0.4
155.10698	0.2
161.04437	5.2
167.10709	0.2
167.14304	1.0
179.05519	3.6
183.13821	7.6
193.12289	1.6
199.06105	0.6
211.13322	100.0
212.13652	5.1
217.07069	0.7
221.06613	1.3
235.08177	4.4
253.09239	2.4
253.14322	0.4
263.07489	0.4
269.06696	0.3
277.21701	52.4
278.21982	3.5
287.07767	1.2
305.08676	1.3
323.09763	1.3
327.21756	0.5
379.12399	6.9
380.12531	0.4
397.13470	37.1
398.13837	2.4
415.14517	9.1
416.14883	0.4
429.20834	0.2
591.26636	3.8
592.26929	0.3
609.27539	3.8
657.34845	0.7
675.36005	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98681	0.4
69.03325	1.3
69.37890	0.3
70.45095	1.1
71.01252	18.4
72.99178	1.2
73.02816	2.7
75.04302	0.3
81.03338	0.7
83.01260	2.8
85.02819	4.4
87.00751	3.8
89.02314	14.6
95.01270	1.1
97.02821	2.3
99.00741	1.0
99.04425	0.3
101.02319	13.9
106.61977	0.3
111.00768	0.5
113.02332	7.9
115.03923	0.6
119.03393	3.4
125.02335	5.9
131.03381	1.0
133.04959	0.4
139.03920	0.5
143.03381	3.0
145.05019	0.6
149.04489	0.4
161.04463	5.3
165.73969	0.3
167.14275	0.4
179.05490	3.3
183.13831	6.3
193.12303	1.5
199.06081	0.7
211.13329	100.0
212.13646	4.5
217.07104	1.0
217.98329	0.4
221.06592	0.7
235.08162	5.7
253.09288	2.2
277.21710	61.3
278.22083	4.5
279.38037	0.4
287.07782	1.4
305.08789	1.2
323.09891	1.6
379.12418	6.0
397.13483	39.4
398.13940	2.1
415.14575	9.6
416.14929	0.6
518.04736	0.4
591.26532	2.8
592.26929	0.5
609.27673	2.4
670.39496	0.4
675.35590	1.5
676.36157	0.5
708.40924	0.4
869.47565	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.381
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03327	0.7
71.01251	10.5
71.58166	0.6
72.99160	1.4
73.02809	3.2
78.95789	0.6
81.03343	0.6
83.01244	1.9
85.02829	4.0
85.99953	0.6
87.00754	2.5
89.02311	2.7
93.03312	1.1
94.47258	0.5
95.01244	1.3
96.95878	4.1
99.00708	1.3
100.56697	0.5
101.02328	6.4
109.02789	0.5
111.04407	0.6
113.02345	3.2
119.03409	0.9
121.02859	0.7
123.04384	0.6
124.01515	0.8
125.02344	7.9
133.02826	0.9
134.03641	0.9
135.04393	2.4
137.02353	0.9
143.03479	0.6
147.04372	0.6
149.02296	0.8
149.04424	0.9
152.96895	0.5
161.02322	2.3
161.04503	1.0
165.01813	1.3
167.03378	1.3
169.12215	0.6
171.10126	0.8
173.04439	1.6
173.53665	0.5
175.02466	0.7
177.01831	0.7
179.03410	2.0
191.03427	2.0
191.05511	1.9
192.94461	0.6
193.04964	1.1
207.02983	0.6
209.04549	0.7
209.08121	0.5
225.07602	0.5
259.09146	0.9
323.07776	2.2
329.23254	1.5
339.25079	0.6
357.26453	4.4
373.25958	1.1
375.27484	11.7
376.27875	1.1
423.38867	0.6
447.67834	0.5
449.10321	0.7
455.00519	0.5
501.30569	1.7
515.11670	1.0
519.31714	11.0
520.31531	1.4
536.32007	0.7
537.32758	19.7
537.41156	1.0
538.33319	2.9
551.08081	0.5
561.32568	7.4
562.32532	0.6
577.32239	1.1
578.32568	2.0
579.33801	100.0
580.34070	12.4
621.34613	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99684	0.2
69.03326	0.6
71.01251	14.0
72.01601	0.2
72.99177	1.0
73.02815	2.4
75.00724	0.2
79.25468	0.1
81.03326	0.6
83.01251	2.5
83.04887	0.3
85.02818	3.7
85.99986	0.2
87.00744	2.7
89.02311	11.3
90.02639	0.1
91.03883	0.2
95.01249	1.2
95.04900	0.1
97.02830	1.7
98.19778	0.4
99.00767	0.7
99.04408	0.2
101.02317	11.5
102.02690	0.2
103.03818	0.1
109.02805	0.2
111.00771	0.3
111.04388	0.4
113.02327	7.1
114.02641	0.1
115.03924	0.2
119.03375	3.2
124.01570	0.1
125.02332	4.6
127.03981	0.2
129.01840	0.1
131.03380	0.9
133.04950	0.3
137.02324	0.2
139.03909	0.2
141.01811	0.2
143.03391	1.9
145.05043	0.5
149.04419	0.3
161.04456	4.9
167.03453	0.2
167.14288	0.1
169.04961	0.2
169.06938	0.1
177.12758	0.3
179.05542	2.9
183.13820	13.9
184.14201	0.6
195.13831	12.6
196.14175	0.6
199.06020	0.3
203.05357	0.2
209.15413	0.1
211.13387	0.6
212.13818	0.1
213.14893	100.0
214.15234	4.7
217.07153	0.4
221.06638	0.8
227.16521	0.2
229.80869	0.2
233.22752	0.1
235.08179	4.3
236.08510	0.2
237.14854	0.2
245.06723	0.2
249.14977	0.1
253.09268	3.0
254.09659	0.1
255.15984	0.4
259.20554	0.2
263.07767	0.2
275.20181	0.3
277.21701	42.8
278.22061	2.9
287.07657	1.0
291.23224	0.2
291.62054	0.1
305.08752	1.0
323.09778	1.1
371.64383	0.1
379.12445	3.1
380.12582	0.2
397.13480	29.7
398.13867	1.6
403.25943	0.1
415.14545	10.1
416.14938	0.5
473.36334	1.0
501.24353	0.1
564.56525	0.1
593.27899	0.8
611.29138	1.3
612.29236	0.2
657.34796	0.3
659.39124	0.1
675.36139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
67.09464	0.3
68.99694	0.4
69.03326	0.9
70.96832	0.9
71.01247	15.8
72.01600	0.3
72.99177	1.2
73.02814	2.7
81.03333	0.6
83.01255	3.3
83.04902	0.5
84.21562	0.2
85.02817	4.0
87.00748	2.9
87.48795	0.3
89.02313	13.5
95.01237	1.4
97.02823	2.3
99.00748	0.9
99.04354	0.3
101.02319	13.1
103.75805	0.3
109.02811	0.3
111.04437	0.4
113.02324	7.5
115.52693	0.3
119.03390	3.7
125.02337	5.0
125.37719	0.3
131.03391	1.0
133.04967	0.4
139.03781	0.4
143.03377	2.1
145.04933	0.7
149.04503	0.5
161.04471	5.1
169.04935	0.4
179.05579	3.0
183.12158	0.6
183.13826	12.6
184.14247	0.7
193.23048	0.3
195.13844	11.6
196.14172	0.6
198.61320	0.3
199.05936	0.4
213.14903	100.0
214.15237	4.6
217.07079	0.5
221.06648	1.0
224.96577	0.3
233.22806	0.3
235.08170	5.5
245.06691	0.4
253.09256	3.7
266.62469	0.3
277.21707	55.6
278.22070	4.2
287.07733	1.1
305.08826	1.1
323.09943	1.4
335.19263	0.3
338.77927	0.3
379.12408	3.5
397.13483	37.1
398.13919	2.6
415.14545	10.4
416.14758	0.6
473.36319	0.7
593.28021	0.3
611.29028	1.1
657.34668	0.3
675.35620	1.4
714.47058	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76956	1.5
63.02272	3.1
65.00197	6.8
67.72444	1.3
70.89179	3.2
70.89507	1.5
71.01247	2.4
72.16213	1.3
78.95700	1.4
83.01275	4.6
85.02814	1.6
87.00726	1.8
89.02319	2.2
93.03329	3.3
96.95911	3.1
107.01260	14.4
108.02077	1.6
109.02823	2.7
121.02840	2.8
124.69006	1.3
125.02377	2.8
133.02872	7.8
135.04422	8.1
147.04445	1.7
148.01534	1.6
149.02415	2.4
151.00273	53.6
152.01056	1.7
153.01932	1.6
161.02356	20.7
163.00328	1.6
165.01871	1.5
169.01346	3.7
173.04507	3.4
175.00209	1.4
178.99759	23.0
179.03421	6.1
191.03485	3.9
191.05525	10.1
199.03918	3.1
203.03484	1.5
211.04083	1.5
221.04637	1.8
226.02560	1.6
227.03447	2.4
240.62228	1.6
243.02968	7.0
254.02271	2.0
255.02972	7.5
271.02451	45.0
272.02969	4.3
283.02405	3.1
285.04086	2.5
299.02002	24.3
300.02728	48.4
301.03506	100.0
302.03864	7.0
313.03564	1.9
317.87808	1.4
323.07715	4.5
383.07639	2.0
423.06226	1.5
463.08768	1.9
503.08835	2.3
505.09982	13.0
526.26208	1.3
607.10675	2.1
625.11938	91.0
626.12115	11.5
787.17542	3.0
829.18347	36.6
829.34546	1.9
830.19019	8.6
861.85510	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	873.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02282	1.6
65.00186	3.5
66.90984	0.6
69.68840	4.2
71.01254	4.9
73.02814	1.5
81.43209	0.6
83.01252	3.6
85.02852	1.3
87.00769	0.7
88.98653	0.8
89.02341	2.5
93.03351	2.3
96.95904	1.7
101.02333	2.5
107.01267	6.2
108.02047	1.6
109.02840	4.4
111.92857	0.6
113.02319	1.2
119.01290	0.8
119.04930	1.3
119.82236	0.6
121.02846	2.3
123.04406	0.9
131.01295	1.0
133.02861	2.1
134.03624	1.1
135.04428	1.6
137.02368	1.4
147.04451	1.6
148.01610	0.7
149.02348	2.0
149.04466	1.2
150.03114	1.5
151.00270	19.2
152.01060	3.4
153.01874	1.1
157.02815	0.7
161.02383	1.4
161.04436	1.0
163.00256	1.5
163.03909	0.7
164.04750	1.3
165.01845	1.1
165.05539	1.3
167.03421	3.1
169.01312	1.6
171.04445	2.3
173.02338	0.7
173.04471	1.5
175.00267	3.9
175.03940	2.0
176.01033	2.0
177.01875	0.8
178.99765	3.9
179.03447	1.0
180.04179	0.8
187.03951	1.7
190.02692	4.7
191.03391	3.9
191.05316	4.2
193.01454	1.3
193.04970	1.4
198.03128	0.9
199.03932	7.2
201.01894	2.6
205.05002	2.8
209.04523	1.3
211.03906	0.8
215.03354	4.3
223.06065	1.2
226.02649	2.0
227.03395	5.4
243.02971	7.7
244.03268	0.8
254.02150	1.5
255.02971	2.5
268.71866	0.7
271.02463	84.5
272.02820	5.1
273.31622	0.7
282.01727	0.7
283.02448	2.6
285.04028	0.8
299.01950	100.0
300.02670	33.1
301.03500	45.4
302.03796	1.5
313.03418	1.9
314.04178	1.3
315.05035	12.6
316.05472	1.0
353.08810	5.6
361.16464	0.8
367.10205	1.8
390.97662	0.8
447.09149	1.1
463.08160	0.7
492.82892	0.7
505.09723	12.9
506.10239	0.9
519.11322	1.9
547.10858	1.2
651.13409	1.0
657.02753	0.8
666.22827	0.7
668.13812	12.3
669.14551	36.2
670.14795	4.7
741.26050	1.3
873.20660	30.3
874.21747	5.2
874.95911	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99675	0.3
69.03320	0.8
70.60811	0.4
70.61210	0.5
71.01250	12.4
72.99189	0.9
73.02818	1.8
80.68496	0.3
81.03344	0.8
81.87708	0.2
83.01242	2.5
85.02821	2.8
87.00754	2.5
89.02316	10.4
95.01255	1.0
97.02834	1.3
98.20432	0.4
99.00771	0.6
101.02322	10.2
101.02998	0.5
113.02328	6.8
115.03174	0.3
119.03371	2.5
123.41550	0.3
125.02335	4.0
126.02744	0.2
131.03404	0.8
133.04993	0.3
139.03969	0.3
143.03362	1.4
152.38536	0.3
161.04472	4.4
161.63219	0.2
179.05556	2.8
183.13826	12.8
184.14143	0.8
195.13834	12.1
196.14313	0.3
199.05936	0.4
200.06410	0.3
213.14897	100.0
214.15250	4.8
217.07045	0.3
221.06569	1.2
235.08226	4.1
253.09297	2.7
255.15829	0.4
277.21637	0.3
279.23276	45.7
280.23605	3.1
287.07681	0.9
293.24814	0.3
305.08743	0.9
323.09717	1.0
332.34500	0.3
379.12418	3.3
397.13461	29.9
398.13925	1.7
415.14554	10.7
416.14728	0.6
475.37979	0.8
593.27899	0.7
611.29187	1.5
677.37384	0.9
681.45856	0.4
682.01526	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
65.95372	0.3
68.99690	0.3
69.03333	0.8
71.01254	15.2
72.99182	1.2
73.02829	2.9
81.03339	0.6
83.00869	0.3
83.01270	3.0
83.04897	0.3
85.02819	4.5
87.00758	2.9
89.02313	11.2
90.02684	0.2
91.82903	0.2
95.01237	1.2
96.30891	0.3
96.95869	0.5
97.02822	1.6
98.19798	1.0
99.00739	0.6
101.02319	11.8
111.00751	0.5
111.04391	0.5
111.90413	0.3
113.02335	6.9
119.03397	2.9
125.02329	4.9
127.03851	0.3
131.03394	0.7
139.03908	0.3
141.14728	0.2
143.03381	2.3
145.04950	0.5
149.04433	0.3
157.05124	0.3
161.04471	4.4
177.12828	0.3
179.05545	2.2
183.13820	12.3
195.13846	11.8
196.14172	0.5
199.06087	0.6
211.13287	0.4
213.14902	100.0
214.15244	4.3
221.06639	0.5
235.08197	4.3
253.09290	3.3
263.07675	0.4
279.23279	59.3
280.23630	4.2
287.07727	0.8
288.54987	0.2
290.18179	0.3
296.43753	0.3
305.08777	0.8
323.10019	1.4
379.12479	4.5
397.13483	38.0
398.13797	1.9
415.14523	9.8
416.15103	0.4
475.38077	1.2
593.28284	0.6
611.29041	1.3
659.36279	0.4
677.37860	1.7
678.37494	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
68.20481	1.4
70.42191	4.3
71.01271	6.2
73.02808	2.3
83.01243	1.7
85.02822	6.8
85.55140	1.2
87.06527	1.4
89.02309	3.6
93.03356	3.0
96.95871	7.1
101.02324	3.2
105.09200	1.2
107.04896	2.6
108.02029	2.5
108.56726	1.6
109.02832	2.0
121.02859	1.9
123.00774	3.4
124.01505	2.0
125.02351	1.9
134.03635	1.9
135.04404	4.2
137.02324	5.1
138.03111	3.3
139.00275	4.4
139.03946	3.3
147.04411	1.7
147.08040	3.4
149.02351	3.7
149.05984	100.0
150.03113	1.5
150.06337	3.7
151.00282	25.0
151.03886	2.4
152.01053	3.3
153.01788	2.3
153.05466	3.6
161.02341	1.8
163.03856	3.1
164.04718	3.7
165.01848	31.7
165.05460	2.6
166.02631	47.6
167.03271	3.0
173.04398	2.2
174.03177	2.1
175.03891	7.9
176.04646	4.1
177.01839	3.2
177.05443	2.3
178.02698	2.4
179.03433	14.6
179.06992	3.8
180.04196	29.1
181.04980	62.5
182.05347	1.6
189.05460	2.5
190.06296	2.6
191.03485	6.6
191.05478	4.7
191.07069	3.1
192.04131	3.2
193.04971	2.3
194.05782	9.7
195.06558	55.5
201.05516	1.3
205.04979	2.4
205.08614	2.8
206.05742	4.2
207.06543	4.2
209.08128	95.1
210.08485	3.2
218.05740	1.7
221.08218	6.6
233.08032	2.0
243.58904	1.4
251.09273	2.8
271.02411	2.8
293.04749	2.5
299.01935	1.5
300.02591	2.3
301.03348	2.0
308.06738	4.4
309.03821	1.4
317.10370	2.1
323.09250	6.8
324.06323	2.2
324.09796	2.1
327.08716	3.0
338.11572	8.0
339.08630	7.5
350.37021	1.7
354.10992	4.0
357.13486	5.5
369.13486	8.5
372.12152	7.0
387.14502	80.1
388.14810	4.9
405.15466	4.2
413.14502	56.5
413.20044	2.7
414.15112	3.3
417.15536	10.0
418.16000	1.6
435.16330	2.7
447.16599	42.6
448.16980	1.7
459.16815	2.4
463.08667	2.8
477.17673	68.5
478.18100	8.9
519.18347	2.2
597.23511	4.1
603.74957	1.5
609.23444	4.3
627.24542	10.6
628.24634	1.5
831.30438	5.4
854.98462	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	875.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98690	2.4
64.04780	1.5
66.91628	1.5
69.03306	2.5
71.01251	100.0
72.99184	4.1
73.02821	44.3
77.73618	1.5
78.95778	1.6
81.03290	1.4
81.06983	2.2
83.01259	17.7
85.02821	34.7
85.99973	5.3
87.00758	10.8
89.02312	28.7
93.03349	2.8
95.01257	5.8
95.98108	1.5
96.95889	14.7
97.02827	3.4
98.95492	2.1
99.00744	7.9
101.02322	75.4
101.05982	2.4
103.16926	1.6
113.02322	44.2
119.03383	15.2
125.02347	5.7
129.01791	1.8
131.03397	4.3
133.02835	1.8
135.04420	5.6
137.02313	2.6
143.03391	6.0
149.02370	2.2
149.04439	8.0
151.89223	1.5
155.03397	1.8
159.02875	6.1
159.06529	11.2
161.04451	32.2
165.01707	2.2
173.04498	3.0
179.03401	4.3
179.05540	2.7
180.04190	1.6
182.02104	2.2
191.05495	7.4
195.06769	1.5
197.04474	2.8
203.05516	3.4
209.15430	8.6
221.06563	4.3
238.05200	1.5
241.09776	1.8
291.10736	10.1
313.16531	17.9
331.17609	18.9
353.19662	33.4
354.19922	2.8
355.17554	6.9
359.25784	1.7
371.20715	55.9
372.21228	3.5
373.18677	26.5
413.21783	98.6
414.22339	7.4
471.95825	1.8
501.60867	1.7
700.62915	1.5
880.24597	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	878.32
Annotation	Unknow
Peak:m/z	Relative Intensity
64.61376	0.8
66.27709	0.9
66.53331	0.9
69.03317	0.8
71.01250	50.0
71.57808	1.3
72.99161	2.4
73.02814	14.3
83.01256	4.1
85.02823	17.0
85.99946	1.2
87.00747	12.2
89.02316	25.8
90.58796	1.1
93.03305	1.1
95.01286	3.2
97.02817	2.3
99.00740	4.6
101.02317	32.4
106.06493	6.4
107.03645	1.3
113.02330	19.6
119.03377	11.2
122.05996	8.5
125.02325	3.5
131.03391	8.8
132.04425	2.9
134.04988	1.9
134.06010	39.1
143.03360	2.6
147.04401	1.3
149.04482	2.0
150.05484	1.7
152.07062	14.4
158.02330	1.7
158.66252	0.9
159.02876	2.2
160.03935	1.9
161.04451	13.6
163.77151	0.9
165.05469	1.5
179.05554	2.8
190.05051	5.9
191.05487	3.7
192.06525	3.3
195.08395	1.0
198.05515	1.0
209.10883	1.5
210.07750	1.9
213.10297	4.1
221.06618	11.9
222.07674	1.5
223.06355	1.0
223.08614	1.4
224.05849	1.6
224.09320	1.0
225.06647	2.8
225.10289	2.1
237.06622	2.4
237.10313	13.9
238.08922	2.1
238.10773	1.0
239.08206	3.6
249.06584	1.9
250.07355	1.4
251.04465	1.6
251.08272	4.6
252.05334	2.2
252.08852	1.2
253.09758	10.6
255.11394	1.9
263.08243	3.6
264.08890	1.7
265.06207	8.1
265.09631	5.5
266.06964	24.5
267.07422	2.9
269.10275	3.5
271.02274	1.4
277.06122	2.2
278.06931	9.5
279.07614	3.8
280.08557	3.5
281.09290	99.6
282.09613	6.5
291.07715	1.6
293.09326	42.5
294.09729	3.5
301.03677	1.2
307.10809	1.4
311.11288	2.6
313.11868	12.1
314.12338	7.5
323.10303	1.7
325.11789	1.7
361.16583	4.1
363.12445	1.2
400.16553	2.2
413.13589	1.0
428.16000	5.4
476.17526	1.6
493.21667	1.2
742.29047	1.7
770.27759	57.8
771.27881	10.6
802.30359	18.2
803.30688	3.5
814.26703	39.4
815.26904	7.4
834.20142	2.1
846.29297	100.0
847.29614	20.1
847.45380	0.9
878.32025	26.1
879.32599	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	879.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02259	0.7
65.00170	0.5
71.01246	0.2
71.58127	0.1
74.33580	0.1
79.05393	0.2
81.03330	0.7
83.01259	0.3
89.00191	0.1
89.02342	0.1
91.01785	0.1
91.05402	0.1
93.03338	0.2
98.78696	0.1
103.05443	0.2
105.03310	0.7
107.01270	0.7
110.69059	0.1
117.02477	0.1
119.04922	0.6
121.02813	0.2
123.04378	0.5
125.02319	0.1
137.17773	0.1
147.04414	2.3
149.02348	1.7
150.02733	0.1
151.00285	0.3
161.72592	0.1
163.03870	0.2
165.05470	0.2
175.03894	0.3
181.04941	0.1
190.02626	1.6
191.03421	100.0
192.03757	4.4
195.06476	0.2
203.17368	0.1
205.05019	0.1
213.05502	0.2
214.21605	0.1
228.94878	0.1
231.06943	0.1
233.04518	1.5
257.04404	0.1
257.19910	0.1
271.02533	0.2
300.02780	0.4
301.03592	0.2
395.09729	0.3
433.94357	0.1
463.08759	0.4
469.44696	0.1
527.10980	0.1
657.20416	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	879.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
65.90353	2.9
69.03336	4.7
69.25507	33.9
71.01250	97.2
71.62041	2.7
73.02810	71.2
75.00767	3.7
83.01257	31.3
85.02831	25.8
87.00752	10.6
87.50500	3.0
89.02304	25.0
93.03321	5.4
96.95874	8.0
97.02813	3.7
99.00761	5.0
101.02321	100.0
109.02789	4.3
113.02336	39.6
119.03383	13.7
125.02377	3.7
131.03397	6.5
135.04433	5.4
143.03377	9.8
149.04436	20.8
155.03488	3.8
161.04466	35.9
165.05435	3.3
173.04451	4.9
179.03534	3.9
179.05608	3.8
191.05490	17.8
203.05545	3.2
221.06528	6.2
299.01910	4.2
310.86911	3.7
315.18057	17.0
331.17651	4.9
333.19141	36.0
352.26654	3.1
373.18671	4.0
374.19107	4.2
375.20166	74.1
376.20731	5.1
415.23276	4.1
437.15680	3.5
669.17706	3.6
835.25616	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98716	2.4
68.25006	1.4
71.01249	20.8
71.58035	2.5
72.99178	9.4
73.02795	3.2
73.95985	1.4
75.00760	1.7
78.95765	10.5
82.14272	1.6
83.01241	4.5
83.04897	1.8
83.55148	1.5
85.02805	3.2
87.00744	8.5
89.02309	6.9
99.00745	10.4
99.49543	1.5
101.02320	8.5
111.00771	3.5
112.98682	18.7
113.02319	2.0
115.00251	13.2
119.89739	1.6
124.98674	2.7
125.02366	2.6
129.01823	1.8
131.43317	1.4
142.99767	24.5
145.01282	2.4
152.99455	12.9
156.00522	2.4
173.00844	7.3
174.01622	37.5
175.02382	22.5
183.13838	4.5
201.11243	23.0
209.11769	25.2
211.13322	60.9
212.13509	2.2
223.13202	2.3
227.12732	4.8
235.08229	7.8
253.09271	7.4
255.23273	19.9
263.12830	5.6
277.21710	100.0
278.22076	5.0
279.23410	3.9
309.21094	1.8
379.12482	2.3
397.13596	21.1
415.14429	3.0
433.23547	8.1
447.22079	3.5
513.30585	3.4
523.86554	1.8
602.05762	2.0
763.42529	6.7
777.43329	1.7
803.41821	4.4
821.43835	2.0
863.44092	3.3
864.45563	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	883.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	5.2
64.32534	1.6
65.13111	1.6
67.04829	1.8
68.99680	1.7
69.31001	5.0
69.31421	14.2
69.76957	2.2
71.01250	43.4
71.40233	1.9
72.99190	4.0
73.02809	13.0
83.01259	11.5
85.02827	18.9
87.00762	4.7
89.02325	11.8
93.03349	2.7
95.01259	3.1
96.95900	10.5
97.02838	3.1
99.00765	7.3
101.02312	28.9
113.02326	16.7
116.97167	2.7
119.03409	3.1
125.02331	5.2
131.03360	2.4
159.03026	2.1
161.04469	7.8
173.04488	3.0
179.05612	2.0
185.04601	2.0
186.12048	1.8
191.05554	4.5
209.08221	2.8
252.07373	2.6
252.72989	1.9
284.95816	2.0
373.04028	2.1
373.27838	2.5
617.40540	2.9
635.41504	9.0
677.42767	17.7
797.07410	2.4
797.47040	12.5
839.47992	100.0
840.48425	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	883.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98685	5.6
65.86105	4.0
71.01257	10.8
71.58472	7.0
79.95643	5.6
85.02820	8.5
89.02329	4.7
96.95904	6.8
101.02295	8.6
110.46147	4.7
126.11079	4.1
146.25130	4.3
171.10202	16.1
174.01598	5.6
183.13792	8.9
184.82179	4.6
207.10193	10.0
211.13300	13.5
225.11264	9.7
235.08255	17.6
253.09247	24.4
277.21713	100.0
278.22031	7.9
279.23007	7.6
291.19589	5.8
309.20734	13.5
327.21725	72.8
377.74649	5.0
379.37930	4.7
397.13239	5.4
545.29181	7.5
563.29999	5.2
883.46613	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	885.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
62.17740	0.2
69.03310	0.8
70.82252	0.6
71.01250	14.1
72.99169	1.3
73.02809	2.2
73.80443	0.2
80.02560	0.9
81.03325	1.8
83.01259	2.0
83.04892	5.6
84.02047	0.6
85.02824	2.8
87.00750	3.0
89.02315	10.3
93.03293	0.2
95.01257	0.9
95.04890	0.6
97.02821	2.1
99.00748	0.8
99.04418	0.3
101.02316	10.0
102.02706	0.2
107.04871	0.2
109.06485	0.4
111.00774	0.3
111.04386	0.4
113.02332	6.2
114.02660	0.2
115.03886	0.3
119.03374	2.9
121.02857	0.2
125.02328	4.8
125.05975	0.5
130.06413	0.2
131.03391	0.6
133.05016	0.2
135.08028	0.7
139.03920	0.3
141.01822	0.4
143.03410	2.3
145.04980	0.3
147.11743	0.2
149.04515	0.2
161.04485	3.5
163.11192	4.2
165.12761	2.4
179.05510	3.2
181.12250	0.6
191.10733	1.2
199.05974	0.3
199.13353	0.3
203.05553	0.3
209.11758	100.0
210.12109	5.7
217.07132	0.7
217.70740	0.2
221.06662	1.2
223.13319	0.3
225.11223	0.6
227.12834	10.7
228.13202	0.4
229.14697	0.3
235.08185	4.3
251.12895	0.3
253.09219	1.5
259.08197	0.3
263.07730	0.3
275.20282	0.2
277.21704	41.3
278.22025	3.2
287.07697	1.4
305.08661	1.0
321.08029	0.2
323.09842	0.9
379.12454	4.5
397.13470	30.1
398.13785	2.0
415.14542	7.9
416.14703	0.4
589.24976	0.6
607.25696	1.0
675.35742	0.5
885.48309	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.485
Annotation	Microtoenin A
Peak:m/z	Relative Intensity
61.98689	3.0
69.03306	1.1
70.87737	1.2
70.88077	1.9
71.00890	1.7
71.01250	23.5
72.99171	2.5
73.02801	3.4
78.85442	0.9
78.95747	0.9
80.96399	1.3
81.03342	1.0
83.01243	3.3
85.02819	7.0
87.00735	4.0
89.02312	16.2
95.01255	2.9
97.02822	2.2
99.00757	1.5
101.02318	20.0
111.08046	1.3
113.02318	10.2
119.03361	5.3
125.02339	4.9
131.03397	1.4
140.44412	0.9
143.03368	2.0
143.81747	1.1
145.04922	1.1
161.04457	5.0
163.11142	1.5
165.12758	6.4
179.05487	3.1
183.13821	74.9
184.14120	2.8
199.13298	2.1
209.11784	10.4
212.27419	0.9
221.06631	1.7
225.11227	1.3
225.14838	1.0
227.12820	6.2
235.08197	2.4
253.09302	1.3
277.21707	39.2
278.22000	2.7
379.12411	2.2
397.13510	17.3
398.13660	1.4
415.14487	3.1
427.80292	0.9
609.05054	1.1
625.27136	3.5
885.48474	100.0
886.48822	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02276	2.1
65.00182	3.5
69.63706	0.5
82.78438	0.7
83.01254	1.6
85.02856	0.8
88.60709	0.6
93.03341	0.8
98.20548	1.6
107.01269	6.8
109.02874	1.4
113.02294	0.8
121.02839	1.4
123.04444	0.9
124.59530	0.7
125.02315	0.7
132.02042	1.2
133.02853	2.2
135.04405	1.7
147.00729	0.9
149.02350	1.4
151.00272	24.5
152.00752	0.7
154.36414	0.7
160.01524	2.3
161.02345	3.1
163.00275	1.6
165.01791	0.7
167.03333	0.6
169.01320	1.2
171.04427	1.7
173.04445	0.7
175.00266	1.7
175.03891	4.7
176.04524	0.6
178.99785	5.8
179.03450	1.5
182.81506	0.7
187.04045	0.9
191.05563	1.7
193.01372	1.2
199.03909	4.7
200.04277	1.0
201.01930	1.0
215.03452	1.4
226.02682	1.6
227.03392	3.4
241.41740	0.8
242.02267	0.7
243.02934	7.1
254.02136	1.6
255.03073	3.6
271.02460	73.5
272.02908	4.4
273.04175	0.8
283.02362	2.0
299.01956	100.0
300.02673	36.8
301.03506	60.3
302.03882	4.5
313.03470	1.3
315.05060	10.9
323.07651	4.9
343.04321	1.3
383.08011	1.1
505.09866	17.6
506.10242	0.8
517.09760	3.1
559.25513	0.7
621.12140	2.5
638.12573	13.1
639.13495	90.7
640.13770	10.1
801.19336	3.6
843.19800	59.8
844.19720	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	887.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
65.04861	0.9
71.01251	44.8
71.58016	1.8
72.99174	4.4
73.02805	2.9
83.01243	2.8
83.86879	0.9
85.02818	10.3
87.00769	2.6
89.02316	35.4
91.01777	2.1
93.03347	4.7
95.01256	3.5
96.95892	6.5
99.00712	1.5
101.02320	20.1
108.02039	2.0
109.79259	1.0
113.02338	16.4
117.03310	1.2
119.01280	7.2
119.03379	13.3
119.04958	1.3
121.02866	5.4
123.04398	3.2
131.03387	1.9
133.02786	1.2
134.03566	3.2
135.04434	4.9
137.02361	3.6
143.03349	2.4
145.02834	2.8
147.00720	4.8
147.04428	1.6
149.02345	25.2
149.04247	1.0
150.03099	1.8
151.00238	2.8
151.03876	1.5
152.00943	1.8
159.04358	1.8
160.01543	1.5
161.02350	2.3
161.04460	4.8
163.03888	2.9
164.03406	1.8
164.04704	21.4
165.01822	9.8
165.05391	1.1
166.02625	3.3
173.04471	2.4
175.00285	42.5
175.03896	3.4
176.00943	2.2
177.01805	1.4
178.02611	1.1
179.03441	2.9
179.05501	12.9
179.07040	4.5
180.04210	3.6
181.04948	6.4
189.01927	1.1
190.02631	100.0
191.03235	5.1
191.05487	5.5
193.01405	1.4
193.05006	2.2
195.06575	4.0
203.03436	1.4
203.07045	2.9
205.04996	92.4
206.05359	4.0
207.02965	1.5
208.03665	2.7
209.04430	3.2
223.06039	24.6
223.08046	1.9
225.07552	4.2
233.06047	1.3
235.07661	1.7
247.06085	2.3
251.07059	2.7
261.05515	3.4
262.06180	1.5
263.07095	2.9
278.05798	1.4
278.09366	2.9
279.06604	15.2
280.07233	2.0
294.09030	10.0
295.09674	1.5
309.07990	1.6
309.11288	24.8
310.11606	1.9
324.10150	1.9
327.12418	1.6
339.12305	7.0
351.87802	0.9
352.07809	2.1
367.10306	91.3
368.10611	4.2
385.11374	1.1
403.14133	2.0
417.15466	1.6
451.15390	1.0
489.17630	2.5
501.17474	5.3
593.30988	1.2
665.22406	1.8
887.29730	96.7
888.30139	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.428
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91733	4.3
70.92041	5.2
71.01254	100.0
71.65380	3.0
72.99188	3.4
73.02817	29.4
75.00728	3.8
83.01247	12.4
85.02824	47.6
87.00772	3.4
89.02327	19.7
95.01244	9.4
96.95868	8.9
99.00737	17.8
101.02313	61.4
113.02323	40.6
113.31753	3.1
119.03345	4.9
125.02341	5.0
131.42319	3.3
143.03383	5.1
159.02834	4.7
161.04457	37.6
165.05400	5.0
179.05605	4.6
199.83972	3.6
232.53488	3.1
315.17944	18.2
357.19110	7.6
381.22607	16.8
386.63116	3.1
399.23874	57.2
441.24866	64.8
442.25320	8.7
645.46594	3.3
702.70892	3.5
745.57544	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	887.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98686	0.7
62.10427	0.5
63.32468	0.5
63.39557	0.4
69.03304	1.0
70.80336	1.5
71.01247	14.4
72.99182	0.9
73.02809	2.9
81.03343	0.9
83.01255	2.1
83.04938	0.5
85.02828	4.0
85.79947	0.5
87.00731	3.0
89.02314	8.7
95.01273	1.3
97.02831	1.5
99.00784	0.6
101.02315	11.1
102.00211	0.5
113.02314	5.5
119.03389	3.3
121.10111	1.0
125.02328	4.0
131.03378	0.9
143.03354	1.7
161.04454	4.1
171.10184	4.9
179.05533	2.5
180.81059	0.6
183.10204	0.7
183.13829	11.9
184.14122	0.6
188.21700	0.6
195.13824	17.7
209.11891	0.6
211.13274	1.4
213.14890	100.0
214.15265	4.4
221.06573	1.0
223.13359	3.9
228.13553	0.5
235.08195	4.0
253.09283	4.4
262.81140	0.7
275.20166	8.2
287.07681	1.6
293.21207	87.8
294.21518	5.2
305.08746	1.2
323.09784	1.8
366.09305	0.7
379.12390	2.7
397.13477	39.9
398.13739	2.0
415.14548	17.8
489.35699	5.0
582.08014	0.5
593.27692	0.7
611.29401	3.5
673.34314	1.5
691.35309	2.7
722.13147	0.6
736.25616	0.6
756.26740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00883	1.3
71.01252	16.7
71.57867	1.2
71.58264	0.8
72.99185	0.9
73.02814	10.5
80.04922	1.9
83.01234	3.3
85.02809	3.6
87.00768	1.0
89.02321	5.3
91.87090	0.7
95.01290	0.9
96.95905	6.0
99.00771	1.0
101.02324	10.4
106.06493	4.3
113.02323	5.1
119.03407	1.9
119.04903	1.0
120.04370	1.0
120.08057	1.3
122.05997	6.9
125.02306	1.6
132.04422	2.9
134.06018	23.4
135.06262	0.9
141.01784	1.1
152.07043	3.0
158.02402	1.2
160.04059	0.8
160.06296	4.1
161.04507	1.5
164.01086	1.0
165.05482	1.6
174.05569	1.1
179.03386	2.3
179.05406	1.3
181.04926	0.8
190.05038	1.5
191.05505	1.6
192.04141	1.0
193.69289	0.8
207.06422	1.4
213.08290	1.3
213.10252	16.0
221.06447	0.9
223.08701	1.0
225.10222	1.6
226.10994	1.1
235.08484	0.8
239.07054	2.1
239.11890	8.2
241.13425	8.1
249.10307	1.2
251.11856	2.6
277.09732	1.5
285.12430	19.3
292.08600	1.0
293.09735	0.8
293.12921	2.9
296.11346	1.7
297.07510	1.8
299.20233	3.8
301.12561	0.9
314.12457	1.3
323.10214	0.9
328.10751	1.6
332.17624	0.9
337.11871	2.1
340.14560	1.4
341.10959	1.7
342.12320	1.5
343.13147	2.8
344.13809	1.6
356.13928	2.1
357.14792	2.1
358.15506	7.7
359.15906	1.3
362.16125	0.9
368.10110	1.0
368.14267	1.0
369.14664	1.8
370.11606	1.5
370.15616	2.2
372.16867	1.6
383.12540	1.1
384.13412	5.0
384.15961	0.9
384.17624	1.6
390.11121	2.0
396.13318	1.6
397.14044	1.5
398.14899	3.6
399.15088	1.0
400.16602	8.7
410.14987	1.1
412.16492	5.8
426.14172	1.0
435.14505	16.2
436.14853	2.0
438.14700	1.2
443.26846	1.0
444.15579	1.6
461.24600	1.0
479.26453	3.5
517.17883	1.2
521.27515	3.3
559.19342	2.6
573.21124	1.0
701.30444	1.2
727.29498	1.7
738.60162	0.9
769.30719	4.3
771.28766	1.5
772.28906	1.5
785.31305	2.2
795.28455	1.4
803.37878	1.4
813.29822	100.0
814.30249	18.3
829.37048	0.8
845.32068	13.7
845.45453	1.0
846.32642	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	889.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01261	20.8
71.20037	1.7
71.20364	3.6
73.02804	2.0
81.07639	1.8
85.02812	2.8
87.00764	4.4
89.02312	13.3
101.02307	16.0
109.41944	1.5
109.48233	1.6
113.02322	7.3
119.03399	3.7
125.02334	4.4
143.03473	2.6
144.02885	2.1
148.96851	1.9
149.81520	1.6
151.11201	3.7
152.99466	2.2
158.19821	1.7
161.04454	3.4
162.03979	2.3
169.12247	24.1
171.10168	77.6
172.10535	2.4
179.05493	2.6
183.13731	1.8
209.11688	2.7
213.11234	3.2
213.14989	4.0
221.06523	2.9
229.14246	4.8
230.14622	1.9
231.12317	4.8
235.08116	2.8
277.21710	31.5
278.22049	5.5
279.45178	2.0
295.22888	3.1
397.13391	11.5
405.85373	2.0
415.14633	3.3
871.46930	3.5
889.47943	100.0
890.48126	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	889.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	1.3
69.60218	0.4
69.95352	2.4
71.01250	14.6
72.99191	1.9
73.02817	2.7
74.53871	0.4
78.95788	1.7
81.03296	0.7
83.01265	1.5
85.02823	3.9
87.00742	4.0
89.02312	11.5
92.92733	0.5
93.03345	0.4
95.01276	1.4
97.02818	2.5
99.00769	0.9
101.02316	12.2
101.66008	0.4
107.91438	0.4
113.02324	7.4
119.03398	2.2
124.01546	0.4
125.02338	6.2
125.09591	1.1
127.11220	2.6
131.03383	0.5
133.05005	0.7
139.03889	0.6
143.03409	2.2
152.99469	1.7
153.09119	0.5
161.04442	4.7
167.03362	0.5
171.10173	100.0
172.10533	3.0
179.05540	4.0
199.06007	0.7
213.11348	0.5
217.07072	0.7
221.06607	1.5
235.08224	5.5
253.09262	1.5
259.08264	0.9
277.21704	55.4
278.22110	4.2
287.07678	1.9
305.08707	1.7
323.09726	1.4
379.12411	14.5
380.12601	0.6
397.13480	40.4
398.13834	2.5
415.14542	8.4
433.23074	0.6
551.23322	4.0
569.24384	4.5
570.24817	0.5
657.34760	1.5
675.35736	1.6
803.75873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.48
Annotation	Unknow
Peak:m/z	Relative Intensity
65.49622	0.7
69.03318	0.7
70.82204	1.8
71.01254	18.2
72.99171	1.6
73.02811	2.7
80.96362	0.6
81.03330	0.8
83.01259	2.8
85.02811	4.5
87.00749	4.2
89.02312	13.5
95.01263	1.1
95.86099	0.6
97.02826	2.7
99.00756	0.8
101.02316	12.8
113.02330	8.2
119.03374	2.9
121.02837	0.9
125.02312	5.8
125.09557	0.9
127.11155	1.9
128.82645	0.6
131.03438	0.7
143.03412	2.7
151.81448	0.6
161.04436	4.4
171.10175	100.0
172.10524	2.3
179.05537	2.9
195.55922	0.7
204.34943	0.6
221.06648	0.9
235.08162	6.3
253.09309	1.6
259.08295	1.1
277.21710	71.0
278.22070	5.8
287.07654	1.8
305.08899	2.9
379.12405	14.3
380.12970	0.9
397.13480	42.2
398.13797	2.1
415.14560	10.2
551.23785	3.5
569.24420	3.3
657.34882	1.6
675.36218	3.3
722.58325	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02251	0.6
65.00171	0.6
69.24516	1.2
71.01236	0.2
73.02831	0.1
81.03316	1.0
83.01249	0.4
83.04884	0.9
85.02849	0.1
91.05403	0.1
93.03369	0.2
96.95860	0.1
101.02301	0.2
103.05414	0.2
105.03350	0.6
105.62457	0.1
107.01286	0.6
119.04918	0.6
123.04405	0.5
125.02351	0.1
129.58414	0.1
132.68112	0.1
135.04367	0.2
147.04407	1.7
149.02333	1.4
151.00272	0.6
161.02252	0.1
163.03940	0.2
175.03883	0.2
176.01125	0.1
190.02649	1.2
191.03424	100.0
192.03769	4.0
213.05482	0.3
218.77824	0.1
224.17587	0.2
225.16023	0.6
233.04526	1.5
240.69579	0.1
249.48833	0.1
271.02429	0.5
299.01791	0.5
300.02621	0.2
301.03455	0.4
333.23010	0.3
359.46506	0.1
431.72598	0.1
433.31689	0.5
451.32898	8.0
452.33246	0.8
480.39883	0.1
583.10693	0.2
891.22363	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01263	18.4
71.58422	13.7
76.88474	10.5
78.11305	11.1
89.02282	14.4
101.02332	16.6
119.03403	12.3
134.02907	12.1
199.13234	100.0
277.21503	53.1
345.36398	11.7
397.13419	52.9
415.14575	22.5
893.46967	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	893.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
62.44139	5.9
66.01080	6.0
71.01264	7.2
71.58628	9.1
73.41333	6.0
78.95778	11.2
79.03935	6.2
152.99474	16.3
199.13341	40.7
216.67249	7.8
222.80930	6.3
255.23251	100.0
256.23615	21.7
266.42426	7.5
277.21744	20.4
392.21417	7.6
397.13315	21.8
483.27112	63.0
484.27664	12.6
506.56009	7.5
511.20184	8.3
703.79205	8.3
800.93481	7.3
849.15070	8.8
893.45251	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	895.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01747	2.3
68.24004	1.7
69.03329	6.0
69.62790	6.7
69.63223	6.7
71.01247	100.0
72.99168	8.3
73.02808	21.8
75.00768	2.2
81.03337	2.4
83.01260	20.8
84.99728	1.7
85.02817	48.8
87.00758	12.8
89.02311	35.9
89.02827	2.7
93.03332	12.8
95.01273	12.7
95.49899	1.8
96.95892	14.8
97.02821	13.2
98.20581	3.2
99.00738	11.4
101.02318	58.1
102.02645	2.0
109.02860	3.5
111.00783	7.8
111.04353	2.7
112.01571	4.3
113.02315	53.7
119.03383	13.5
123.04430	1.9
124.01515	9.0
124.51357	1.7
124.97671	1.7
125.02338	15.5
127.03944	1.9
129.01810	3.0
131.03384	2.4
135.04416	7.3
137.02370	3.1
139.00232	2.8
139.03925	2.3
141.01817	2.1
143.03412	9.7
150.03093	2.1
159.02890	3.0
160.01530	5.1
161.04489	11.2
165.05421	3.1
171.43942	1.7
173.04471	9.4
179.03450	3.3
179.05553	3.3
191.03717	3.6
191.05530	50.3
192.05875	2.8
208.28085	1.6
211.13393	1.7
221.06616	1.7
237.18773	2.0
240.19128	1.8
263.09366	2.3
344.87933	1.6
399.23779	6.1
413.21674	3.9
437.14594	27.1
438.14972	3.9
448.54312	1.9
479.26346	2.6
481.16104	2.1
489.25156	2.2
503.36209	1.9
507.25958	6.5
525.26941	5.0
543.27979	17.8
561.28931	16.1
562.29120	2.3
585.29620	3.4
603.29993	7.5
669.31116	2.3
687.32153	36.1
688.32910	6.1
705.33368	96.2
706.33240	14.8
723.34314	44.9
724.34662	6.5
747.34344	25.5
748.34595	5.1
765.35406	55.9
766.35449	11.9
782.12976	2.3
807.36871	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	899.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03328	6.3
71.01251	20.9
71.04881	1.4
71.20637	2.2
72.99178	3.6
73.02805	3.9
75.00739	7.0
83.01257	3.1
83.04887	1.3
85.02830	5.5
87.00744	9.8
89.02307	9.7
95.01228	1.3
96.95890	1.7
97.02826	3.9
99.00764	2.3
101.02303	10.8
109.02818	1.2
111.04368	2.0
113.02312	7.1
115.00262	10.0
116.44177	1.0
119.03352	1.6
125.02312	2.2
127.03847	0.9
133.05022	1.2
151.11171	1.7
153.12791	1.2
161.04460	2.2
161.09613	3.0
169.04884	1.0
171.10219	6.1
175.02391	13.3
179.05565	1.7
179.10690	4.3
193.12167	1.2
195.13799	0.9
197.11761	38.7
198.12048	1.5
211.13342	19.2
213.14923	5.6
221.72839	1.0
223.09741	2.3
223.13354	1.3
235.08203	4.0
235.13318	1.0
239.12924	1.3
241.10721	2.2
241.14401	12.0
245.11769	1.3
251.12830	1.3
253.09351	4.6
253.14441	1.9
277.21713	78.9
278.22058	5.4
285.13379	2.4
397.13467	3.4
415.14926	1.4
432.31808	1.1
447.22498	1.9
450.63113	1.1
459.21933	1.5
477.23105	2.2
483.34637	1.6
503.21274	2.0
521.21832	1.6
709.15356	1.3
737.44519	5.0
759.43768	1.4
765.44586	1.6
781.43646	4.9
821.43005	1.8
899.46436	100.0
900.46893	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	899.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03321	5.0
69.33925	4.6
71.01252	19.3
71.04896	1.6
72.99172	2.2
73.02802	2.4
75.00729	1.4
78.95766	1.1
81.03362	1.4
83.01247	1.9
83.04894	0.9
85.02835	4.8
87.00743	5.3
89.02316	10.2
95.01268	1.1
97.02818	2.2
97.06433	0.7
99.00761	1.7
101.02320	12.3
113.02335	6.1
115.00233	3.2
119.03379	2.1
123.07992	1.0
125.02359	2.7
125.09591	1.6
126.98482	0.6
127.03836	0.6
131.03386	1.0
137.09506	0.7
143.03389	1.0
151.11168	2.4
152.99509	1.0
153.12729	1.7
161.04465	1.9
161.09671	3.2
169.12283	1.0
171.10205	2.0
175.02390	5.6
179.05588	0.9
179.10684	6.3
183.09956	0.6
183.13860	0.7
197.11758	64.5
198.12076	2.3
211.13316	6.5
213.14813	1.2
221.06633	2.8
223.09715	1.8
241.10756	5.1
241.14429	2.1
253.09248	1.5
277.21710	33.4
278.22113	1.6
337.89471	0.6
397.13449	4.6
415.14471	1.2
477.23022	0.8
593.18475	0.6
621.24182	0.9
639.24835	1.1
672.24084	0.6
699.73157	0.6
737.44757	1.8
781.43842	1.4
843.21722	0.7
899.46436	100.0
900.46814	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
63.32257	0.6
65.00191	1.2
70.91837	1.3
70.92198	1.4
71.01247	3.2
73.02822	0.9
80.81824	0.6
83.01256	1.3
89.02316	2.0
93.03331	2.1
95.01293	0.6
96.58262	0.5
96.95906	3.0
101.02313	1.6
107.01270	1.8
113.06954	0.6
115.08791	0.6
117.03362	1.2
119.01287	1.0
119.04893	0.8
123.04391	1.0
125.02304	1.2
133.02866	1.1
134.03595	1.1
135.04379	2.2
137.02249	0.7
149.02373	1.6
151.00291	4.5
159.04388	1.1
161.02368	1.5
163.03889	1.4
164.04666	1.0
165.01837	0.7
165.05507	0.8
169.01237	1.0
169.06345	0.6
173.04405	1.9
175.00284	2.2
175.02332	0.6
176.00952	1.1
177.01746	0.8
179.03407	1.6
183.04448	2.2
185.06041	1.0
187.03958	0.7
190.02625	5.2
191.03485	1.0
191.05502	4.8
194.22031	0.6
195.06410	0.8
205.04974	3.9
207.02826	0.8
211.03912	1.8
213.05498	1.0
223.06085	0.9
227.03439	17.7
229.01082	0.6
229.05070	1.0
239.03317	1.2
255.02957	39.5
256.03546	3.3
257.04504	1.5
271.02472	0.8
283.02451	25.9
283.05591	1.3
284.03226	24.8
285.04016	100.0
286.04477	4.7
297.03891	0.7
298.04739	0.7
299.02118	1.2
299.05554	9.9
326.04340	1.4
327.05057	1.0
353.08749	4.4
367.09995	0.7
461.05127	2.4
489.10333	25.8
490.10504	2.1
531.11707	1.6
652.14258	0.8
653.15070	35.9
654.15289	4.6
857.20947	2.2
858.22809	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.48
Annotation	Unknow
Peak:m/z	Relative Intensity
63.11906	1.0
69.03326	1.0
70.50336	1.8
70.50692	2.3
71.00894	1.4
71.01254	22.9
71.04879	2.8
72.01651	1.0
72.99178	1.9
73.02807	3.4
80.69411	0.9
81.03307	1.0
83.01254	3.0
85.02824	5.2
87.00733	4.8
89.02311	11.6
95.01244	1.8
97.02814	6.5
97.06458	1.5
99.00751	12.2
101.02317	15.1
105.41275	0.9
109.06461	1.9
110.03579	1.5
113.02324	7.2
117.92678	1.0
118.43295	0.8
119.03393	3.4
123.08037	1.3
125.02316	3.7
125.09651	5.5
127.11144	1.5
131.03410	1.0
142.02620	1.1
143.03343	1.7
150.05586	0.9
160.69536	0.9
161.04466	3.4
161.68668	0.9
163.11165	8.0
171.10168	13.5
172.10545	1.0
179.05521	2.1
181.12259	13.5
182.12675	0.9
185.11853	0.9
188.62869	0.9
197.11766	1.5
199.13309	11.1
201.11266	5.3
207.10208	28.0
207.12151	1.8
208.10562	1.5
212.13715	1.4
221.06532	1.8
223.09819	1.0
225.11264	44.3
226.11690	2.2
235.08115	2.7
243.12347	13.2
253.09241	1.9
253.14294	1.0
277.21698	52.3
278.22003	5.2
293.42734	0.9
317.33615	1.0
379.12369	2.4
397.13480	20.4
398.13391	1.3
415.14618	4.6
605.24658	3.8
623.25452	3.0
636.26642	1.0
675.35681	1.4
706.07660	0.9
883.46918	13.6
884.47351	4.3
901.47986	100.0
902.48267	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	901.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
68.92139	1.1
71.00885	2.0
71.01251	25.8
71.15630	2.3
72.99181	2.9
73.02815	2.1
75.00724	1.3
78.95770	1.6
81.03335	1.6
83.01268	2.5
83.15804	1.0
84.88911	1.1
85.02810	5.5
87.00755	5.8
89.02325	16.5
95.01257	2.3
95.04896	2.9
96.95911	1.9
97.02815	5.2
99.00748	2.1
99.04404	1.4
101.02320	18.7
101.02971	0.9
109.06443	3.6
111.04401	1.7
113.02336	8.5
115.00269	1.5
115.03764	1.0
119.03375	5.5
125.02338	7.8
125.09569	1.9
127.11124	2.7
143.03363	3.4
152.99487	1.3
161.04453	5.2
163.11176	4.0
169.12102	1.6
171.10179	100.0
172.04544	1.2
172.10504	3.6
179.05502	5.4
181.12256	2.5
189.09108	1.2
196.67677	1.1
197.11746	2.3
199.13342	2.0
207.10191	8.1
211.13358	2.7
217.07127	1.7
221.06509	2.5
225.11270	40.2
235.08224	6.9
241.14354	1.2
243.12387	9.8
253.09196	2.7
277.21707	73.8
278.22003	7.1
287.07785	3.2
294.03214	1.1
297.34409	1.1
305.08728	2.1
323.09714	2.3
357.71469	1.1
379.12463	15.3
397.13452	48.1
398.13663	3.0
415.14590	11.8
460.93600	1.1
461.07828	1.2
551.23590	6.8
569.24664	5.8
591.11090	1.4
605.24536	4.6
623.25677	9.3
632.58282	1.4
657.34772	3.3
675.35254	2.5
783.45221	1.6
829.31500	1.6
829.46075	1.4
883.46991	7.1
884.47638	1.4
901.47595	3.4
913.59106	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03325	0.8
69.74517	0.5
70.64165	1.8
71.01252	16.2
71.04900	3.1
72.99197	0.7
73.02814	2.4
83.01255	1.3
84.44930	0.6
85.02824	2.4
87.00748	2.1
89.02320	5.5
95.04906	1.0
97.02834	3.5
97.06458	2.9
99.00756	13.4
101.02320	7.8
109.06454	1.0
110.03619	0.9
110.67793	0.6
113.02330	4.0
119.03387	1.6
123.08055	2.0
125.02320	2.0
125.09605	7.4
135.08110	0.6
142.02609	1.3
143.03265	0.7
145.10112	0.8
150.72374	0.5
153.12772	1.0
155.14281	0.6
159.84973	0.7
160.20851	0.6
161.04437	1.7
161.09557	0.7
163.11201	8.9
171.10158	4.1
181.12262	11.2
183.52519	0.6
197.11786	1.1
199.13310	6.3
201.11284	1.6
207.10205	19.4
208.10469	0.9
218.85422	0.6
225.11273	27.2
226.11554	1.1
235.08188	0.9
243.12337	10.7
253.09166	0.9
264.62943	0.7
277.21732	24.6
278.22061	1.8
379.11884	0.7
388.85565	0.6
397.13422	6.0
415.14621	1.4
493.08124	0.7
623.25659	1.8
641.26862	1.6
754.22797	0.7
784.88599	0.7
883.47186	1.4
901.47974	100.0
902.48395	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	901.48
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	1.0
69.37020	1.1
71.01254	29.3
71.58572	1.3
72.99163	3.0
73.01208	1.1
73.02822	5.0
75.00713	1.0
81.03333	1.4
83.01243	3.4
85.02831	5.8
87.00749	6.0
89.02316	17.5
95.01279	3.7
95.04895	2.5
97.02843	4.4
101.02322	17.8
109.02843	1.4
109.06448	2.0
113.02334	10.0
119.03400	4.0
120.07691	1.2
124.34544	1.2
125.02324	7.6
127.11183	2.2
131.03471	1.5
143.03401	3.9
161.04451	7.8
163.11180	2.3
171.10176	100.0
172.10516	2.9
179.05487	4.1
181.12236	2.1
183.81821	1.2
189.09035	1.3
197.11722	1.8
199.13232	1.5
207.10211	4.9
211.13184	1.1
217.07048	1.9
225.11272	31.9
226.11488	1.6
235.08142	6.3
243.12367	8.9
244.32678	1.1
253.09241	2.6
260.46429	1.3
277.21707	91.7
278.22046	9.1
279.23199	2.3
281.35321	1.1
305.08667	2.6
307.92764	1.3
323.09714	1.8
329.14072	1.4
347.35135	1.2
379.12360	14.5
397.13480	59.7
398.13852	3.6
415.14465	10.5
416.14850	1.4
467.01120	1.2
551.23553	4.6
569.24548	4.0
605.24255	3.1
620.28131	1.5
623.25665	3.7
657.34595	2.7
675.36029	4.8
775.15894	1.3
883.47247	6.2
884.47272	2.0
901.48029	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	901.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
62.70664	0.7
69.03326	1.3
70.60547	1.0
70.60901	2.7
71.01254	32.3
71.04876	2.0
72.99169	2.1
73.02808	3.8
79.34106	0.9
83.01242	3.0
83.04905	1.1
84.39705	0.8
85.02831	4.8
87.00726	4.9
89.02315	13.2
95.04894	1.3
96.95858	1.4
96.96897	0.8
97.02826	5.2
97.06448	1.8
98.19841	1.1
99.00763	15.4
101.01694	1.1
101.02329	16.3
109.06459	2.4
113.02337	7.4
119.03355	3.0
123.08012	1.2
125.02301	3.8
125.09612	6.6
131.03355	2.2
135.08080	1.0
142.02618	1.2
143.03387	2.4
161.04424	3.0
163.11195	10.6
171.10178	17.0
177.99422	1.1
179.05530	2.2
179.10587	1.2
181.12254	18.5
195.79294	1.0
197.11755	2.4
199.13313	11.1
201.11311	4.6
207.10194	35.5
208.10550	1.7
221.06602	3.1
225.11272	58.7
226.11624	2.3
235.08202	1.7
243.12358	21.4
244.12468	1.2
253.09268	1.0
258.69742	0.9
277.21710	34.1
278.22040	2.7
305.08688	0.9
323.09976	0.9
379.12366	3.0
397.13486	18.2
415.14380	4.9
605.23694	1.2
623.25470	3.4
641.26373	2.3
675.35724	1.4
739.43005	1.1
883.46960	3.6
901.47986	100.0
902.48456	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	903.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02257	0.5
65.00176	1.0
71.01252	0.4
71.57957	0.2
75.91086	0.2
81.03335	0.2
83.01247	0.5
85.35349	0.2
93.03350	0.6
96.95847	0.3
107.01254	1.6
108.02058	0.8
109.02824	1.1
121.02847	1.2
123.04398	0.3
133.02863	0.3
134.03552	0.3
135.00764	0.5
135.04349	0.5
147.04370	0.2
148.01578	0.8
149.02328	0.5
149.04475	0.2
149.41986	0.2
151.00266	7.6
159.04321	0.2
163.00311	1.7
163.03838	0.5
164.01045	0.3
169.01349	0.6
170.94246	0.2
173.04459	0.7
175.03918	0.5
178.76999	0.2
178.98218	0.2
178.99774	4.1
187.04037	0.3
190.02759	0.3
190.41879	0.2
191.03424	20.6
191.05423	1.7
192.00432	0.4
192.03674	0.6
192.05731	0.2
193.01309	0.3
199.03830	0.3
199.63956	0.2
203.03523	0.3
211.03947	0.4
226.02612	1.0
227.03427	1.8
229.04919	0.3
231.10153	0.5
233.04492	0.4
243.02942	5.7
244.03441	0.5
245.04503	0.5
254.02214	1.7
255.02957	17.5
256.03296	1.1
269.03329	0.2
271.02463	36.2
272.02960	2.5
273.03918	0.8
275.09229	0.5
276.09604	0.3
283.02371	0.8
299.02017	1.1
300.02719	86.3
301.03445	32.8
302.03879	1.9
302.93204	0.2
335.24097	0.2
343.04410	0.3
449.14810	0.3
450.15118	0.3
463.08795	100.0
464.09100	7.7
615.13519	0.2
658.14886	0.2
727.49432	0.2
876.16809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01765	0.7
69.83185	1.4
69.83608	1.7
70.20719	0.5
71.01243	3.5
73.02809	1.6
83.01250	0.7
85.02826	1.4
85.48731	0.6
89.02317	1.4
93.03338	0.6
93.07497	0.5
95.01250	0.6
95.04888	0.6
96.95879	2.9
96.96423	0.5
98.19863	0.9
101.02325	2.1
112.29469	0.5
113.02320	1.2
118.95143	0.5
120.04431	3.0
121.05260	2.0
122.06016	6.8
125.02328	2.4
134.06007	3.1
135.04395	1.1
135.06770	0.6
136.05214	0.6
136.07581	10.8
137.02258	0.7
149.04512	0.6
149.05887	0.7
150.06778	0.5
158.02357	0.9
161.04523	0.5
165.05438	0.6
167.03429	1.1
171.11700	2.0
172.07622	0.6
173.04477	1.0
179.03423	0.8
179.05481	0.6
186.09122	0.6
190.02672	0.5
190.03288	0.6
190.04999	5.5
191.03378	0.5
191.05544	2.1
198.09233	1.8
199.09941	2.1
209.04572	0.5
214.12318	11.0
225.06587	0.7
226.07536	0.7
227.08202	2.9
228.09035	0.6
229.09729	4.2
230.06888	0.6
230.11792	3.9
240.10272	0.6
241.09818	8.3
242.10558	16.8
243.10857	0.8
246.31314	0.6
257.12927	83.7
258.13269	3.8
301.11920	100.0
302.12158	5.5
337.12006	1.8
481.47281	0.6
537.27063	1.5
548.21783	0.5
559.19293	15.2
560.19897	2.6
757.27991	0.6
785.30005	0.6
829.29016	0.8
861.31622	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	905.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48249	5.4
71.01270	4.2
73.02812	2.4
85.02814	1.2
89.02330	0.9
93.03314	0.7
95.02168	0.6
96.95885	4.2
98.20736	0.7
101.02327	2.5
103.64384	0.8
109.97706	0.6
113.02355	1.6
119.03362	0.7
119.77374	0.6
120.04428	2.4
121.05202	2.1
122.06025	5.3
122.19565	0.6
123.04407	0.8
125.02315	2.3
130.02841	0.7
130.64168	0.7
130.65256	0.7
132.04474	0.8
134.03604	0.9
134.05975	2.1
135.04390	1.1
135.06778	0.8
136.07591	10.2
137.01337	0.6
137.02354	1.1
148.07574	0.9
156.64484	0.7
158.02330	0.9
159.04428	0.7
161.07245	0.7
163.07661	1.0
165.05406	1.1
167.03426	1.1
171.11707	1.6
173.04498	1.2
179.03375	1.6
179.05458	0.8
190.05063	3.6
191.03387	1.0
191.05510	2.7
195.06497	0.8
198.09148	2.1
199.10013	1.6
214.12341	9.9
227.08150	1.9
229.09825	4.6
230.11845	3.6
241.09695	6.9
242.10535	13.4
243.10815	0.8
257.12921	72.2
258.13284	4.8
301.11911	100.0
302.12241	5.5
325.24155	0.7
337.11972	1.5
529.02118	0.7
537.27570	1.0
559.19293	17.7
560.20081	1.8
657.42139	0.8
699.41107	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01245	15.6
71.58229	7.8
71.58586	5.1
85.02813	7.4
87.00757	4.4
89.02340	9.9
96.95867	4.7
101.02313	11.8
113.02335	9.5
119.03385	8.8
161.04475	7.5
211.13347	100.0
212.13809	6.1
235.08173	6.5
250.79770	4.6
277.21722	65.1
327.21674	9.0
334.57834	4.6
359.22119	4.7
379.12350	10.5
397.13428	55.0
462.87411	5.5
539.13245	5.4
591.26685	17.0
609.27838	10.5
675.36163	7.9
860.54065	5.8
905.46307	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	909.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01263	9.0
71.58072	6.3
85.02856	4.9
87.00764	5.1
89.02319	11.2
101.02316	7.4
103.78545	4.8
151.01880	5.9
173.53702	4.7
183.13803	9.3
195.13821	6.6
213.14905	100.0
214.15117	5.7
240.45610	4.6
242.37224	5.2
251.16412	5.3
279.23254	45.2
302.65689	5.3
379.12698	6.5
397.13351	44.1
415.14670	14.5
593.27808	5.7
611.28558	8.3
688.76526	6.1
738.60040	6.0
742.76727	5.6
906.40942	5.7
909.49493	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99680	0.8
69.03323	1.5
71.01247	25.3
71.15736	1.7
72.99170	1.8
73.02811	9.7
75.00784	0.9
83.01250	8.1
85.02819	14.5
87.00739	2.8
89.02299	3.7
95.01254	4.4
96.95906	1.2
97.02829	4.0
99.00755	5.8
101.02320	15.9
109.02795	1.3
111.00743	1.9
112.01506	1.7
113.02322	13.9
119.03357	1.3
121.02763	0.8
122.34187	0.7
125.02357	4.7
127.03880	0.9
143.03395	1.8
161.04495	1.5
177.83363	0.7
209.08072	1.6
375.90912	0.8
385.35089	0.7
415.32135	39.1
416.32455	3.5
444.90280	0.7
469.33340	1.2
484.49976	0.9
485.32785	1.2
511.34354	1.2
523.34479	1.3
544.30920	0.8
559.36267	11.8
560.36432	1.6
577.37421	15.3
578.37659	2.1
619.38666	3.9
721.41418	2.6
739.42383	1.3
763.43030	11.8
764.42609	2.1
781.29401	1.5
781.43799	29.4
782.44275	3.7
823.44800	100.0
824.45349	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	913.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03334	5.4
70.31702	1.6
71.01254	70.8
71.29935	3.3
72.99178	6.1
73.02819	27.6
81.03294	2.2
83.01254	20.8
85.02823	44.0
87.00771	6.0
89.02320	8.9
93.03341	3.2
95.01249	6.2
96.95886	15.4
97.02821	6.5
99.00738	12.5
101.02322	46.8
109.02795	2.9
111.00777	4.7
112.81661	2.1
113.02327	33.9
125.02348	17.9
127.03896	2.0
135.04399	4.0
137.02257	2.7
143.03378	7.2
147.04379	1.9
147.40147	2.2
153.43640	1.8
161.04483	13.0
167.03366	2.2
175.04007	1.9
189.70195	1.9
191.05536	3.8
227.51884	1.7
231.91817	2.1
525.53394	2.0
560.76068	2.0
579.39038	3.7
585.68048	2.0
708.67291	2.3
723.43420	21.4
724.43622	3.9
741.43579	10.1
765.44641	20.2
766.45087	4.0
783.45380	100.0
784.45648	17.1
825.46375	79.1
826.46820	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	915.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00191	0.3
70.64141	0.2
71.01247	0.5
83.01244	0.4
85.02827	0.4
87.00711	0.2
89.02306	0.3
90.94839	0.2
93.03310	0.4
93.75211	0.2
101.02323	0.3
104.15839	0.2
105.44387	0.2
107.01251	0.7
109.02856	0.3
111.04449	0.2
119.04980	0.3
121.02843	0.2
124.01422	0.2
125.02346	0.4
130.83949	0.2
134.68614	0.2
135.04376	0.8
137.02248	0.3
149.02357	0.3
149.04538	0.3
151.00252	2.7
153.35120	0.2
161.02380	0.3
163.00246	1.0
163.03973	0.3
165.01857	0.3
169.01349	0.4
173.04413	0.5
175.03821	0.3
178.99763	1.8
190.02582	0.5
191.03404	6.9
191.05481	2.3
191.07112	0.4
192.03796	1.0
193.01295	0.3
193.03914	0.4
198.03024	0.3
199.03990	0.4
215.03386	0.3
216.04227	0.3
226.02640	3.1
227.03426	1.3
243.02960	7.5
244.03342	0.5
254.02161	3.2
255.02951	4.0
255.05531	0.4
256.03397	0.3
271.02463	34.4
272.02942	2.8
273.03336	0.3
299.01755	1.2
300.02731	45.4
301.03427	11.3
302.03870	0.4
313.03467	0.3
343.04495	0.5
431.22995	0.4
446.63757	0.2
462.08188	0.8
463.08792	100.0
464.09097	6.5
603.64984	0.2
723.73126	0.2
915.31006	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	4.6
69.42416	4.3
71.01253	72.7
72.01585	1.9
72.99175	2.5
73.02817	100.0
74.03163	1.9
75.00748	1.5
81.03315	0.8
83.01258	30.5
85.02827	8.3
86.65520	0.6
87.00755	2.7
89.02312	14.0
90.02642	0.8
95.01263	3.2
97.00779	0.7
97.02827	2.6
98.20610	1.1
99.00756	1.0
101.02319	91.9
102.02648	1.3
105.83679	0.6
113.02328	33.8
114.02651	1.2
119.03383	9.4
125.02363	3.8
131.03391	9.1
131.76427	0.7
135.84523	0.6
143.03403	11.3
149.04453	20.9
150.04900	0.6
155.03398	2.7
161.04456	34.8
162.04796	1.2
173.04419	0.7
179.03413	0.7
179.05547	1.1
183.63142	0.6
191.05505	2.2
203.05463	4.0
216.40045	0.6
221.06602	12.3
301.03250	0.9
415.23395	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	917.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	1.3
71.01249	26.7
71.07384	1.7
71.58064	2.5
72.99182	2.1
73.02825	4.7
83.01247	4.4
85.02831	8.0
87.00752	6.5
89.02321	19.9
95.01234	1.8
96.95867	2.9
97.02809	2.7
101.02316	18.7
112.85342	1.5
113.02330	11.5
115.03886	1.8
119.03410	7.6
121.24794	1.5
125.02326	13.5
131.03387	2.4
143.03398	4.1
145.06110	3.1
151.11105	1.8
161.04449	8.1
169.12245	86.2
170.12558	3.5
171.10162	23.4
179.05553	5.4
183.13834	1.8
211.13283	1.9
213.11111	2.2
221.06688	1.8
235.08110	7.5
253.09123	2.0
268.25635	1.7
277.21701	100.0
278.22003	5.0
287.07813	2.3
292.32858	1.6
305.08853	1.8
323.09882	2.5
379.12436	32.7
397.08328	3.6
397.13501	57.7
398.13751	3.3
415.14673	9.0
549.25354	10.0
567.26923	11.0
569.24530	1.8
657.34766	7.6
675.35870	5.0
773.58002	2.2
827.47662	3.1
871.46582	15.0
889.48859	10.4
890.48877	2.3
917.47461	6.8
918.48431	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	919.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
66.60075	6.9
67.25103	9.2
71.01253	17.6
77.89982	8.1
78.95798	7.5
87.00745	11.0
99.00770	9.5
99.81033	7.8
101.02304	11.6
115.00254	20.5
118.05878	6.8
124.14902	6.5
125.02330	6.7
125.15067	6.6
129.58269	6.4
130.30565	7.4
152.99477	12.7
169.06316	7.5
174.01651	8.4
175.02383	32.4
181.12231	9.5
207.10194	27.8
211.13304	10.1
225.11223	46.9
243.12460	14.8
255.23204	27.2
256.23630	20.9
277.21609	50.0
336.35471	8.7
397.13501	9.6
402.50708	8.8
417.40091	7.4
442.58163	7.5
483.27261	11.9
484.27182	23.9
539.15601	8.0
546.90887	7.2
605.24451	28.5
623.25720	30.6
664.27966	7.9
883.46851	100.0
919.44604	66.5
920.44922	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	919.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
66.64551	7.2
67.42162	7.5
71.01233	16.7
71.58263	8.7
71.58697	12.2
87.00748	14.4
88.98669	25.0
89.02287	7.8
96.95889	26.6
99.00782	10.0
101.02358	12.1
110.88535	7.3
112.98756	10.3
115.00272	15.6
125.02297	12.3
139.00209	9.7
140.69353	7.2
152.99489	9.0
161.04547	10.7
175.02417	56.2
207.10155	20.9
211.13332	34.4
225.11307	47.9
243.12488	13.9
255.23283	28.5
256.23648	10.6
277.21689	77.0
278.22110	11.5
279.23328	23.2
280.23672	19.1
397.13379	27.4
401.30850	39.0
402.30930	50.6
534.35608	8.8
605.24493	19.5
623.25098	11.4
883.46863	100.0
884.47510	15.2
919.44666	50.0
920.44812	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	919.492
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03312	2.2
69.25011	10.7
69.25431	3.3
69.59187	1.2
71.01251	100.0
72.99181	2.1
73.02825	3.8
83.01254	3.6
85.02818	7.0
86.55839	1.2
87.00755	4.2
89.02316	16.2
95.01269	2.7
97.02827	5.1
99.00729	3.2
101.02320	17.4
109.06476	4.3
112.96088	1.3
113.02331	9.6
118.95796	1.4
119.03390	4.5
120.80007	1.3
125.02338	8.6
125.09627	2.3
143.03386	2.3
143.07477	1.3
161.04465	4.4
163.11206	4.5
164.48923	1.2
171.00610	1.4
171.10178	41.8
179.05508	4.7
181.08739	1.6
181.12227	2.6
199.09637	10.8
201.11250	16.1
207.10172	17.2
221.06595	1.5
225.11288	9.6
235.08147	7.1
243.12347	3.0
253.09215	3.7
253.11893	1.4
277.21701	67.5
278.22031	6.3
379.12326	2.7
397.13455	36.1
398.13953	3.6
415.14417	10.7
579.22784	1.9
623.25623	2.1
753.82758	1.4
883.46448	7.5
884.47925	3.2
901.48779	1.6
919.48859	14.8
920.49396	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	919.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03306	2.0
71.01252	100.0
71.58228	1.6
71.58654	1.9
72.99176	1.9
73.02814	3.9
77.78262	1.7
79.84538	2.0
83.01266	3.2
83.04881	1.9
85.02827	7.4
87.00756	8.1
89.02308	18.9
97.02818	2.4
99.00750	4.0
101.02317	16.4
109.06445	5.9
113.02319	9.2
119.03383	3.9
125.02322	6.8
125.09605	3.5
127.11166	3.1
143.03401	3.7
144.17497	1.9
161.04463	4.9
163.11159	2.1
171.10191	48.9
179.05537	4.2
192.04291	2.1
192.43695	1.9
199.09671	11.2
201.11269	13.6
207.10207	19.0
225.11253	12.8
235.08183	6.6
253.09254	2.6
261.14914	4.5
277.21725	72.7
278.21912	5.0
306.32950	2.1
379.12421	3.5
381.00446	1.8
397.13504	41.4
402.76791	2.1
415.14642	10.9
512.49054	2.1
650.74573	2.7
713.44360	2.1
857.45062	3.6
883.46796	11.8
901.49097	3.0
919.48438	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	919.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
67.55857	1.2
69.03320	1.9
69.30218	12.0
71.01253	100.0
72.99154	1.7
73.02808	5.2
75.31619	1.1
76.48022	1.1
77.84949	1.2
81.03313	2.6
83.01236	2.9
85.02814	6.9
87.00751	5.9
88.89396	1.0
89.02311	18.7
96.95857	1.5
97.02830	5.0
99.00743	3.1
101.02324	16.5
109.06475	8.5
111.32500	1.0
113.02319	11.4
119.03344	4.4
125.02354	5.8
125.09578	3.2
127.11164	2.8
130.30859	1.2
139.07458	1.4
141.01799	1.3
142.02773	1.1
143.03395	3.5
155.10634	2.3
161.04459	5.3
163.11143	4.2
171.10172	58.8
172.10617	1.2
179.05576	5.9
181.12253	2.1
199.09697	16.3
199.13277	1.3
201.11255	26.2
207.10196	27.0
209.11678	2.1
221.06578	1.7
225.11273	21.2
235.08093	5.6
243.12320	3.3
253.09161	3.8
261.14886	5.5
265.14661	2.7
277.21713	57.4
278.22003	3.4
287.07721	1.4
294.43423	1.2
305.08755	2.3
323.09775	1.6
379.12363	4.3
397.13486	32.4
398.13849	2.3
415.14465	11.7
597.23962	2.1
605.25098	1.8
623.25366	6.1
857.44757	2.3
869.49011	1.4
883.47058	11.1
884.47034	2.4
901.47498	4.0
919.48615	14.3
920.49438	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	919.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03328	1.1
71.01252	100.0
71.13580	2.2
72.99188	1.5
73.02818	3.3
75.04230	0.9
81.03333	1.4
83.01250	2.2
83.04897	1.2
85.02811	5.8
87.00745	5.3
89.02312	15.2
95.01257	1.4
97.02826	3.9
99.00754	2.3
101.02319	14.5
109.06477	4.9
113.02325	8.0
119.03356	3.9
121.02792	0.9
125.02317	8.4
125.09618	1.7
127.11163	3.7
128.68062	1.0
131.03275	1.0
135.95523	1.0
141.01814	0.9
143.03400	2.1
152.99490	1.1
155.10730	1.1
161.04463	4.4
163.11156	3.1
171.10181	62.1
172.10406	1.5
179.05583	4.8
181.12230	2.0
199.09683	11.4
199.13348	1.7
201.11214	18.0
207.10173	15.7
221.06567	1.8
225.11305	12.0
235.08176	4.3
243.12270	3.1
253.09196	1.8
277.21698	44.6
278.22052	2.6
287.07617	1.3
317.73438	1.1
379.12460	2.7
397.13470	33.5
398.13315	1.5
415.14688	9.1
571.87244	1.2
597.24109	2.4
605.24536	2.0
623.25305	3.0
721.43103	1.2
857.45685	1.7
883.47192	6.0
901.48456	1.6
919.48743	10.7
920.47943	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	921.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03368	1.6
71.01251	22.8
72.99175	1.9
73.02815	17.5
80.04931	1.3
83.01250	3.9
85.02808	5.8
87.00733	1.5
89.02305	5.8
91.29244	0.9
93.03330	2.0
95.01304	1.2
96.95901	4.3
99.00752	2.1
101.02329	13.4
104.04932	1.5
106.06491	6.1
107.03664	1.4
108.04433	1.2
113.02337	7.1
119.03429	1.6
120.04446	1.1
122.06023	9.9
125.02336	1.3
132.04462	3.3
133.02898	1.5
134.06018	34.4
135.04384	2.2
136.07570	1.9
146.05975	1.7
149.02298	1.6
150.03122	1.3
150.05472	1.2
152.07094	4.9
160.01616	2.4
160.03946	1.7
161.04564	2.0
165.05423	2.0
173.04572	1.4
174.05518	1.3
175.03911	2.1
179.03381	1.1
180.06599	2.5
188.07082	2.2
190.02592	1.3
190.04994	2.1
191.03461	1.7
191.05614	2.8
193.05031	1.0
205.04930	1.5
211.08643	1.3
213.10332	7.5
223.08719	1.6
225.10313	4.5
227.11853	2.0
235.08708	2.1
237.10265	3.2
239.11882	6.5
241.13406	5.3
247.08949	1.7
248.09518	1.2
249.10323	3.2
250.07379	2.6
251.08244	4.3
251.11945	4.0
252.09023	2.4
253.09824	6.2
263.08298	4.2
264.08978	1.8
265.06323	1.3
265.09833	5.2
266.10400	1.7
267.08914	1.1
267.11276	5.9
277.09793	7.7
278.06961	3.6
278.10587	8.6
279.07803	7.2
279.11356	8.7
285.12439	13.4
288.68436	1.0
289.09839	1.2
290.10599	1.5
291.07922	2.0
291.11496	2.7
292.08530	3.4
293.09393	13.9
293.12692	2.0
294.10062	5.0
295.10876	8.5
296.11313	4.2
297.52005	1.1
299.05524	1.6
305.09311	3.7
306.10150	1.2
307.10910	8.7
308.11655	1.4
309.12387	2.5
314.12427	3.8
321.08856	5.0
329.11404	1.0
337.08719	4.2
338.08969	1.8
339.09763	6.2
340.14511	1.3
342.12512	1.1
343.13455	1.6
351.09851	4.5
354.12518	1.3
356.13916	2.5
356.17703	1.6
357.14392	1.7
358.15622	4.7
367.10492	1.5
370.11935	1.4
384.13358	3.6
385.14032	1.6
396.13388	1.4
397.14041	1.3
398.14981	4.0
400.16452	8.3
410.14969	3.3
412.16678	4.6
416.19800	1.1
425.17453	2.3
426.14532	1.3
440.16177	1.5
442.17462	2.3
458.17130	1.6
468.15582	1.4
486.16724	2.8
620.22784	1.6
646.23218	1.3
647.25159	2.6
648.22754	1.1
662.23907	2.5
663.24841	1.7
680.24261	4.9
690.22632	3.4
691.23578	4.9
708.24036	35.6
709.24664	3.4
722.25562	6.0
723.26135	1.6
740.27130	3.5
754.28033	13.0
755.28601	2.7
769.30920	10.6
770.31128	2.6
783.13599	1.1
785.30682	2.6
801.33594	3.4
803.31287	1.5
813.18298	1.3
813.29828	74.8
814.29962	11.5
845.32477	100.0
846.32843	19.4
877.35193	11.1
878.34924	2.7
END